RRBP1_MOUSE Loading...

Ribosome-binding protein 1

Acts as a ribosome receptor and mediates interaction between the ribosome and the endoplasmic reticulum membrane.

AlphaFold DB , UniProt , Accession Q99PL5, Species MOUSE (Mus musculus, Mouse), Gene Rrbp1, Length 1,605 aa.

>RRBP1_MOUSE|Q99PL5|Rrbp1
MDIYDTQTLGVVVFGGFMVVSAIGIFLVSTFSMKETSYEEALANQRKEMAKTHHQKGEKKKKEKTVEKKGKTKKKEEKPNGKIPEHDLDPNVTIILKEPVRVSAVAVAPTSVHSSVGHTPIATVPAMPQEKLASSPKDRKKKEKKVAKVEPAVSSIVNSIQVLASKSAILEATPKEVPMVAVPPVGSKASSPATSSQGKKGQGAQNQAKKGEGAQNQGKKGEGAQNQAKKGEGAQNQAKKGEGAQNQGKKGEGAQNQAKKGEGGQNQAKKGEGAQNQGKKGEGAQNQGKKGEGAQNQAKKGEGAQNQAKKGEGAQNQGKKGEGAQNQSKKGEGAQNQAKKGEGGQNQAKKGEGAQNQAKKGEGAQNQAKKGEGVQNQAKKGVEGAQNQGKKGEANQNQAKKGEGGQNQTKKGEGPQNQGKKGEAAQKQDKKIEGAQNQGKKPEGTSNQGKKGEGAQNQGKKGEGAQNQSKKGEGAQNQAKKGEGGQNQAKKGEGAQNQAKKGEGAQNQAKKGEGVQNQAKKGVEGAQNQGKKGEANQNQAKKGEGGQNQTKKGEGPQNQGKKGEAAQKQDKKIEGAQNQGKKPEGTSNQGKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKGEGPQNQAKKGEGAQNQGKKGEGAQNQGKKGEGAQNQGKKAEGVQSQSKKGEGTQNQGKKGDGNPNQGKKGEGASNQNRKTDTVANQGTKQEGVSNQVKKSEGSPNQGKKAEGAPNQGKKKDGSPSQAKKVDAAANQGKKSEMAPAQGQKASMVQSQEAPKQDAPAKKKSGSRKKGEPGPPDCDGPLFLPYKTLVSTVGSMVFSEGEAQRLIEILSEKTGVIQDTWHKATQKGDPVAILKRQLQEKEKLLATEQEDAAVAKSKLRELNKEMASEKAKAAAGEAKVKKQLVAREQEIAAVQARMQASYRDHVKEVQQLQGKIRTLQEQLENGPNTQLARLQQENSILRDALNQATSQVESKQNTELAKLRQELSKVNKELVEKSEASRQEEQQRKALEAKAATFEKQVLQLQASHKESEEALQKRLEEVTRELCRAQTSHANLRADAEKAQEQQQRVAELHSKLQSSEVEVKSKCEELSSLHGQLKEARAENSQLTERIRSIEALLEAGQAQDTQASHAEANQQQTRLKELESQVSCLEKETSELKEAMEQQKGKNNDLREKNWKAMEALALAERACEEKLRSLTQAKEESEKQLHLAEAQTKETLLALLPGLSISAHQNYAEWLQEFKEKGSELLKKPPTLEPSMDIVLKLREAEETQNSLQAECDQYRTILAETEGMLKDLQKSVEEEERVWKAKVGAAEEELHKSRVTVKHLEDIVEKLKGELESSDQVREHTSHLEAELEKHMAAASAECQNYAKEVAGLRQLLLESQSQLDEAKSEAQKQSDELALVRQQLSDMRSHVEDGDVAGSPAVPPAEQDPMKLKTQLERTEATLEAEQTRRQKLTAEFEEAQRTACRIQEELEKLRAAGPLESSGKEEITQLKERLEKEKRLTSDLGRAAIKLQELLKTTQEQLTKEKDTVKKLQEQLGKAEDGSSSKEGTSV
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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
1M45Very low64.9Low209 Ų209125.9 Ų125.9100%1.0366%0.66SS**  085.80-118.660.9177.400107.9I3M1-I3 PolarHBondContact O-N 3.46Å
2D46.5Very low66.2Low144 Ų144123.8 Ų123.877%0.7766%0.655SS**  trans-107.171.2-146.3-58-80.8000111Y4 D5D2-Y4 PolarHBondContact O-N 3.42Å; D2-D5 PolarHBondContact O-N 3.21Å
3I53.4Low67.6Low143 Ų143121.4 Ų121.473%0.73365%0.648SS**THydrogen-bonded Turntrans-71.52.3-176.9-35.1-178.2000112.2M1M1-I3 PolarHBondContact O-N 3.46Å
4Y55.1Low68.9Low218 Ų218123.4 Ų123.486%0.85565%0.649SS**THydrogen-bonded Turntrans-107.316-178.8-77-80.4000114.2D2 T6D2-Y4 PolarHBondContact O-N 3.42Å; Y4-T6 PolarHBondContact O-N 3.49Å
5D62.8Low70Confident78 Ų78117.5 Ų117.542%0.41763%0.629SS.*  trans-62.3123.9164.2-170.4-11.1000109.9D2 Q7 T8 L9D2-D5 PolarHBondContact O-N 3.21Å; D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 PolarHBondContact OD1-N 3.17Å; D5-T8 PolarHBondContact O-N 3.35Å; D5-L9 PolarHBondContact O-N 3.43Å
6T67Low71.1Confident117 Ų117112.5 Ų112.572%0.71862%0.615SS**Hα-helixtrans-64.6-25.7178.6-55.80000111.7Y4 G10Y4-T6 PolarHBondContact O-N 3.49Å; T6-G10 PolarHBondContact O-N 2.87Å
7Q75.4Confident72.2Confident154 Ų154114.1 Ų114.172%0.7261%0.614SS**Hα-helixtrans-67.4-49.4171.8-61.3-164.76.400111.3D5 L9 G10 V11D5-Q7 PolarHBondContact O-N 3Å; D5-Q7 PolarHBondContact OD1-N 3.17Å; Q7-L9 PolarHBondContact O-N 3.4Å; Q7-G10 WeakPolarHBondContact O-CA 3.35Å; Q7-G10 PolarHBondContact O-N 3.31Å; Q7-G10 VanDerWaalsContact O-N 3.15Å; Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.36Å
8T73.1Confident73.3Confident77 Ų77114.8 Ų114.847%0.47262%0.615SS.*Hα-helixtrans-61.2-45.8178.4-55.70000111.6D5 G10 V11 V12D5-T8 PolarHBondContact O-N 3.35Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.14Å; T8-V11 PolarHBondContact O-N 3.23Å; T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 2.84Å
9L74.9Confident74.2Confident106 Ų106113.4 Ų113.456%0.55561%0.611SS**Hα-helixtrans-61.8-40.4174.8-17465000111.5D5 Q7 V12 V13D5-L9 PolarHBondContact O-N 3.43Å; Q7-L9 PolarHBondContact O-N 3.4Å; L9-V12 PolarHBondContact O-N 3.33Å; L9-V13 WeakPolarHBondContact O-CG2 3.14Å; L9-V13 PolarHBondContact O-N 3.2Å
10G80Confident75.1Confident34 Ų34112.9 Ų112.935%0.35161%0.611SS.*Hα-helixtrans-58.4-46.217400000112.8T6 Q7 T8 V13 F14T6-G10 PolarHBondContact O-N 2.87Å; Q7-G10 WeakPolarHBondContact O-CA 3.35Å; Q7-G10 PolarHBondContact O-N 3.31Å; Q7-G10 VanDerWaalsContact O-N 3.15Å; T8-G10 VanDerWaalsContact C-N 3.31Å; T8-G10 PolarHBondContact O-N 3.14Å; G10-V13 PolarHBondContact O-N 3.04Å; G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 3.21Å
11V80.5Confident75.7Confident105 Ų105109.3 Ų109.364%0.63660%0.595SS**Hα-helixtrans-64.3-42.5177.7171.70000111.7Q7 T8 F14 G15Q7-V11 WeakPolarHBondContact O-CG2 3.37Å; Q7-V11 PolarHBondContact O-N 3.36Å; T8-V11 PolarHBondContact O-N 3.23Å; V11-F14 PolarHBondContact O-N 2.8Å; V11-G15 PolarHBondContact O-N 3.41Å
12V80.9Confident77.9Confident100 Ų100102.1 Ų102.161%0.60657%0.569SS**Hα-helixtrans-63.8-43.3177173.20000111.3T8 L9 G15 G16T8-V12 WeakPolarHBondContact O-CG2 3.45Å; T8-V12 PolarHBondContact O-N 2.84Å; L9-V12 PolarHBondContact O-N 3.33Å; V12-G15 PolarHBondContact O-N 3.47Å; V12-G16 PolarHBondContact O-N 3.5Å
13V84.9Confident79.9Confident93 Ų93100 Ų10056%0.56456%0.556SS**Hα-helixtrans-66.9-42.6177.5172.60000111.6L9 G10 F17L9-V13 WeakPolarHBondContact O-CG2 3.14Å; L9-V13 PolarHBondContact O-N 3.2Å; G10-V13 PolarHBondContact O-N 3.04Å; V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 2.81Å
14F85.1Confident81.4Confident149 Ų14994.6 Ų94.665%0.65454%0.537SS*.Hα-helixtrans-66.7-39.9176-115.6-89.1000112.5G10 V11 F17 M18G10-F14 WeakPolarHBondContact O-CB 3.43Å; G10-F14 PolarHBondContact O-N 3.21Å; V11-F14 PolarHBondContact O-N 2.8Å; F14-F17 PolarHBondContact O-N 3.35Å; F14-M18 WeakPolarHBondContact O-CB 3.13Å; F14-M18 VanDerWaalsContact O-CG 3.31Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.42Å
15G85.4Confident82.8Confident35 Ų3590 Ų9036%0.36153%0.525SS..Hα-helixtrans-63.5-47.3175.900000112.1V11 V12 F17 M18 V19V11-G15 PolarHBondContact O-N 3.41Å; V12-G15 PolarHBondContact O-N 3.47Å; G15-F17 VanDerWaalsContact C-N 3.35Å; G15-F17 PolarHBondContact O-N 3.29Å; G15-M18 WeakPolarHBondContact O-CB 3.41Å; G15-M18 PolarHBondContact O-N 3.39Å; G15-V19 WeakPolarHBondContact O-CG2 3.13Å; G15-V19 PolarHBondContact O-N 2.96Å
16G87.6Confident83.7Confident38 Ų3893 Ų9339%0.39254%0.535SS..Hα-helixtrans-59.6-43.6173.400000112.5V12 M18 V19 V20V12-G16 PolarHBondContact O-N 3.5Å; G16-M18 PolarHBondContact O-N 2.8Å; G16-V19 PolarHBondContact O-N 2.77Å; G16-V20 WeakPolarHBondContact O-CG2 3.15Å; G16-V20 PolarHBondContact O-N 2.85Å
17F90.4Very high84.3Confident139 Ų13992.1 Ų92.161%0.6153%0.525SS*.Hα-helixtrans-64.7-38.6176.6-171.1-94.1000112.7V13 F14 G15 S21V13-F17 WeakPolarHBondContact O-CB 3.49Å; V13-F17 PolarHBondContact O-N 2.81Å; F14-F17 PolarHBondContact O-N 3.35Å; G15-F17 VanDerWaalsContact C-N 3.35Å; G15-F17 PolarHBondContact O-N 3.29Å; F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact O-CB 3.4Å; F17-S21 PolarHBondContact O-N 3.25Å; F17-S21 PolarHBondContact O-OG 3.17Å
18M90.9Very high84.3Confident127 Ų12789.3 Ų89.363%0.62652%0.518SS*.Hα-helixtrans-61.7-46.2173.1-79.5-72.7-143.200111.8F14 G15 G16 S21 A22F14-M18 WeakPolarHBondContact O-CB 3.13Å; F14-M18 VanDerWaalsContact O-CG 3.31Å; F14-M18 WeakPolarHBondContact O-CG 3.44Å; F14-M18 PolarHBondContact O-N 3.42Å; G15-M18 WeakPolarHBondContact O-CB 3.41Å; G15-M18 PolarHBondContact O-N 3.39Å; G16-M18 PolarHBondContact O-N 2.8Å; M18-S21 PolarHBondContact O-N 3.33Å; M18-A22 WeakPolarHBondContact O-CB 3.23Å; M18-A22 PolarHBondContact O-N 3.37Å
19V90.9Very high84.1Confident89 Ų8989.8 Ų89.854%0.53953%0.525SS..Hα-helixtrans-64.3-47.2179.1172.30000111.3G15 G16 S21 A22 I23G15-V19 WeakPolarHBondContact O-CG2 3.13Å; G15-V19 PolarHBondContact O-N 2.96Å; G16-V19 PolarHBondContact O-N 2.77Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.1Å; V19-A22 PolarHBondContact O-N 3.4Å; V19-I23 HydrophobicContact CG1-CD1 3.94Å; V19-I23 WeakPolarHBondContact O-CG1 3.25Å; V19-I23 PolarHBondContact O-N 2.81Å
20V92.3Very high83.6Confident102 Ų10288.1 Ų88.162%0.61852%0.519SS*.Hα-helixtrans-63.7-38.1176.8174.20000111.3G16 G24G16-V20 WeakPolarHBondContact O-CG2 3.15Å; G16-V20 PolarHBondContact O-N 2.85Å; V20-G24 PolarHBondContact O-N 2.9Å
21S87.9Confident82.7Confident39 Ų3995.3 Ų95.327%0.27354%0.541SS..Hα-helixtrans-66.2-40174.9-61.80000112.2F17 M18 V19 G24 I25F17-S21 WeakPolarHBondContact CE1-OG 3.46Å; F17-S21 WeakPolarHBondContact O-CB 3.4Å; F17-S21 PolarHBondContact O-N 3.25Å; F17-S21 PolarHBondContact O-OG 3.17Å; M18-S21 PolarHBondContact O-N 3.33Å; V19-S21 VanDerWaalsContact C-N 3.31Å; V19-S21 PolarHBondContact O-N 3.1Å; S21-G24 PolarHBondContact O-N 2.89Å; S21-I25 WeakPolarHBondContact O-CB 3.31Å; S21-I25 WeakPolarHBondContact O-CD1 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 3.28Å
22A90.3Very high81.4Confident58 Ų5894.2 Ų94.248%0.47954%0.538SS..Hα-helixtrans-64.9-43.5176.800000111.8M18 V19 I25 F26M18-A22 WeakPolarHBondContact O-CB 3.23Å; M18-A22 PolarHBondContact O-N 3.37Å; V19-A22 PolarHBondContact O-N 3.4Å; A22-I25 PolarHBondContact O-N 3.12Å; A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.89Å
23I89.2Confident80Confident98 Ų9897.2 Ų97.250%0.50355%0.548SS..Hα-helixtrans-62.4-44.8173.5-66.1165.9000110.4V19 I25 F26 L27V19-I23 HydrophobicContact CG1-CD1 3.94Å; V19-I23 WeakPolarHBondContact O-CG1 3.25Å; V19-I23 PolarHBondContact O-N 2.81Å; I23-I25 PolarHBondContact O-N 2.92Å; I23-F26 PolarHBondContact O-N 3.46Å; I23-L27 HydrophobicContact CG2-CD1 3.92Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CG 3.12Å; I23-L27 PolarHBondContact O-N 2.85Å
24G84.9Confident78.3Confident31 Ų31102.4 Ų102.432%0.3256%0.563SS.*Hα-helixtrans-60.2-43.9176.100000113.2V20 S21 L27 V28V20-G24 PolarHBondContact O-N 2.9Å; S21-G24 PolarHBondContact O-N 2.89Å; G24-L27 PolarHBondContact O-N 3.49Å; G24-V28 WeakPolarHBondContact O-CB 3.4Å; G24-V28 VanDerWaalsContact O-CG2 3.29Å; G24-V28 WeakPolarHBondContact O-CG2 3.36Å; G24-V28 PolarHBondContact O-N 2.93Å
25I84.9Confident76.8Confident120 Ų120104.4 Ų104.462%0.61557%0.574SS**Hα-helixtrans-66.2-39.5175.8-69.7164.1000110.9S21 A22 I23 S29S21-I25 WeakPolarHBondContact O-CB 3.31Å; S21-I25 WeakPolarHBondContact O-CD1 3.21Å; S21-I25 VanDerWaalsContact O-CG1 3.24Å; S21-I25 WeakPolarHBondContact O-CG1 3.11Å; S21-I25 PolarHBondContact O-N 3.28Å; A22-I25 PolarHBondContact O-N 3.12Å; I23-I25 PolarHBondContact O-N 2.92Å; I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 3.45Å
26F82Confident75.7Confident141 Ų141107.6 Ų107.662%0.61859%0.587SS**Hα-helixtrans-64.5-44.7176.8-174.6-95.4000111.9A22 I23 S29 T30A22-F26 WeakPolarHBondContact O-CB 3.45Å; A22-F26 PolarHBondContact O-N 2.89Å; I23-F26 PolarHBondContact O-N 3.46Å; F26-S29 PolarHBondContact O-N 3Å; F26-T30 HydrophobicContact CD1-CG2 4.46Å; F26-T30 HydrophobicContact CE1-CG2 4.08Å; F26-T30 HydrophobicContact CZ-CG2 4.12Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.34Å; F26-T30 PolarHBondContact O-N 3.44Å; F26-T30 PolarHBondContact O-OG1 2.92Å
27L78.7Confident74.8Confident99 Ų99109.5 Ų109.552%0.51859%0.594SS.*Hα-helixtrans-65.2-44.7176.2-70172.4000111.9I23 G24 T30 F31I23-L27 HydrophobicContact CG2-CD1 3.92Å; I23-L27 HydrophobicContact CG2-CG 4.4Å; I23-L27 WeakPolarHBondContact O-CB 3.4Å; I23-L27 WeakPolarHBondContact O-CG 3.12Å; I23-L27 PolarHBondContact O-N 2.85Å; G24-L27 PolarHBondContact O-N 3.49Å; L27-T30 WeakPolarHBondContact CA-OG1 3.35Å; L27-T30 PolarHBondContact O-N 3.46Å; L27-T30 PolarHBondContact O-OG1 3.09Å; L27-T30 VanDerWaalsContact O-OG1 3.06Å; L27-F31 PolarHBondContact O-N 3.14Å
28V75.2Confident73.7Confident95 Ų95111.8 Ų111.858%0.57660%0.599SS**Hα-helixtrans-65.4-39.2175.6171.30000111.3G24 F31 S32G24-V28 WeakPolarHBondContact O-CB 3.4Å; G24-V28 VanDerWaalsContact O-CG2 3.29Å; G24-V28 WeakPolarHBondContact O-CG2 3.36Å; G24-V28 PolarHBondContact O-N 2.93Å; V28-F31 PolarHBondContact O-N 3.01Å; V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.9Å
29S68.5Low72.9Confident87 Ų87112.4 Ų112.461%0.60860%0.601SS**Hα-helixtrans-69.1-35.4179.1-169.10000112.6I25 F26I25-S29 WeakPolarHBondContact O-CB 3.39Å; I25-S29 PolarHBondContact O-N 3.45Å; F26-S29 PolarHBondContact O-N 3Å
30T64.9Low72.3Confident71 Ų71113.3 Ų113.344%0.43660%0.599SS.*Hα-helixtrans-73.9-37174.845.60000112.7F26 L27F26-T30 HydrophobicContact CD1-CG2 4.46Å; F26-T30 HydrophobicContact CE1-CG2 4.08Å; F26-T30 HydrophobicContact CZ-CG2 4.12Å; F26-T30 WeakPolarHBondContact O-CB 3.42Å; F26-T30 WeakPolarHBondContact O-CG2 3.34Å; F26-T30 PolarHBondContact O-N 3.44Å; F26-T30 PolarHBondContact O-OG1 2.92Å; L27-T30 WeakPolarHBondContact CA-OG1 3.35Å; L27-T30 PolarHBondContact O-N 3.46Å; L27-T30 PolarHBondContact O-OG1 3.09Å; L27-T30 VanDerWaalsContact O-OG1 3.06Å
31F61.5Low71.7Confident186 Ų186110.8 Ų110.882%0.81659%0.589SS**Hα-helixtrans-83.7-8.5174.8-99.4-97.7000115.3L27 V28 M33L27-F31 PolarHBondContact O-N 3.14Å; V28-F31 PolarHBondContact O-N 3.01Å; F31-M33 PolarHBondContact O-N 3.2Å
32S52.3Low71.4Confident81 Ų81110.9 Ų110.957%0.56659%0.587SS**THydrogen-bonded Turntrans-8217.9177.1-65.80000114.1V28 K34V28-S32 WeakPolarHBondContact O-CB 3.4Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.9Å; S32-K34 PolarHBondContact O-N 3.39Å
33M52.6Low71Confident164 Ų164110.6 Ų110.681%0.80858%0.584SS**SBendtrans-61.5123.1165.5-80.9-164.4160.900109.3F31 E35F31-M33 PolarHBondContact O-N 3.2Å; M33-E35 PolarHBondContact O-N 3.15Å
34K48Very low70.6Confident202 Ų202110 Ų11088%0.87858%0.582SS**  trans-59.8109.9-176.8-72.2177.4177.4174.30110.8S32 T36S32-K34 PolarHBondContact O-N 3.39Å; K34-T36 PolarHBondContact O-N 3.36Å
35E53.5Low70.3Confident190 Ų190114.3 Ų114.389%0.88859%0.594SS**  trans-61.3103165.8-63.9-174.9150.200109.4M33 S37M33-E35 PolarHBondContact O-N 3.15Å; E35-S37 PolarHBondContact O-N 3.33Å
36T62Low70Confident103 Ų103116.7 Ų116.763%0.63260%0.595SS**  trans-67.6113.9166.536.20000108K34K34-T36 PolarHBondContact O-N 3.36Å
37S69.8Low69.9Low77 Ų77117 Ų11754%0.53860%0.596SS.*  trans-61.3146.5-174-168.60000111.2E35 E39 E40 A41E35-S37 PolarHBondContact O-N 3.33Å; S37-E39 PolarHBondContact O-N 3.39Å; S37-E39 VanDerWaalsContact O-N 3.11Å; S37-E40 WeakPolarHBondContact O-CA 3.4Å; S37-E40 WeakPolarHBondContact O-CB 3.42Å; S37-E40 PolarHBondContact O-N 3.22Å; S37-A41 PolarHBondContact O-N 3.01Å; S37-A41 VanDerWaalsContact O-N 3.1Å
38Y66.7Low69.7Low187 Ų187118.8 Ų118.873%0.73360%0.602SS**Hα-helixtrans-52.8-35.5-177.9-175.1-103.8000113.4A41 L42Y38-A41 PolarHBondContact O-N 3.07Å; Y38-L42 HydrophobicContact CD1-CD1 3.98Å; Y38-L42 HydrophobicContact CE1-CD1 3.48Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.48Å; Y38-L42 WeakPolarHBondContact O-CB 3.49Å; Y38-L42 PolarHBondContact O-N 2.92Å
39E75.2Confident69.5Low140 Ų140120.4 Ų120.465%0.65461%0.605SS**Hα-helixtrans-62.3-39171.9-82-74.6160.100113.2S37 A43S37-E39 PolarHBondContact O-N 3.39Å; S37-E39 VanDerWaalsContact O-N 3.11Å; E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.26Å
40E78.8Confident69.3Low108 Ų108119.4 Ų119.451%0.50560%0.601SS.*Hα-helixtrans-71.6-38.4177.9-173.5171.6-157.800111.4S37 A43 N44S37-E40 WeakPolarHBondContact O-CA 3.4Å; S37-E40 WeakPolarHBondContact O-CB 3.42Å; S37-E40 PolarHBondContact O-N 3.22Å; E40-A43 PolarHBondContact O-N 3.13Å; E40-N44 WeakPolarHBondContact O-CB 3.3Å; E40-N44 PolarHBondContact O-N 3.2Å
41A79.5Confident69Low50 Ų50124 Ų12441%0.41362%0.616SS.*Hα-helixtrans-61.4-47.7171.900000111.5S37 Y38 A43 N44 Q45S37-A41 PolarHBondContact O-N 3.01Å; S37-A41 VanDerWaalsContact O-N 3.1Å; Y38-A41 PolarHBondContact O-N 3.07Å; A41-A43 PolarHBondContact O-N 2.92Å; A41-N44 PolarHBondContact O-N 2.73Å; A41-Q45 WeakPolarHBondContact O-CB 3.39Å; A41-Q45 PolarHBondContact O-N 2.96Å
42L80.6Confident68.7Low41 Ų41119.4 Ų119.422%0.21560%0.603CS.*Hα-helixtrans-62.8-38.8174.9-105.7162.1000112.8Y38 R46Y38-L42 HydrophobicContact CD1-CD1 3.98Å; Y38-L42 HydrophobicContact CE1-CD1 3.48Å; Y38-L42 VanDerWaalsContact CE1-CD1 3.48Å; Y38-L42 WeakPolarHBondContact O-CB 3.49Å; Y38-L42 PolarHBondContact O-N 2.92Å; L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.28Å; L42-R46 PolarHBondContact O-N 3.15Å
43A83.2Confident68.6Low52 Ų52123.3 Ų123.343%0.4361%0.612SS.*Hα-helixtrans-66-40.6176.200000112.1E39 E40 A41 K47E39-A43 VanDerWaalsContact O-CB 3.23Å; E39-A43 WeakPolarHBondContact O-CB 3.37Å; E39-A43 PolarHBondContact O-N 3.26Å; E40-A43 PolarHBondContact O-N 3.13Å; A41-A43 PolarHBondContact O-N 2.92Å; A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 3.28Å
44N79.2Confident68.4Low84 Ų84123.2 Ų123.245%0.44961%0.609SS.*Hα-helixtrans-69.2-43.4174.6-85.7-22.3000112.1E40 A41 R46 K47 E48E40-N44 WeakPolarHBondContact O-CB 3.3Å; E40-N44 PolarHBondContact O-N 3.2Å; A41-N44 PolarHBondContact O-N 2.73Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.24Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 WeakPolarHBondContact O-CA 3.44Å; N44-K47 VanDerWaalsContact O-CB 3.26Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 3.17Å; N44-E48 PolarHBondContact O-N 3.2Å
45Q78.5Confident68.3Low122 Ų122120.7 Ų120.757%0.5760%0.6SS**Hα-helixtrans-58.7-43175.4-167.8-169.846.300111.4A41 K47 E48 M49A41-Q45 WeakPolarHBondContact O-CB 3.39Å; A41-Q45 PolarHBondContact O-N 2.96Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 3.02Å; Q45-E48 PolarHBondContact O-N 3.36Å; Q45-M49 WeakPolarHBondContact O-CB 3.48Å; Q45-M49 WeakPolarHBondContact O-CG 3.45Å; Q45-M49 PolarHBondContact O-N 3Å
46R78.9Confident67.7Low171 Ų171120.7 Ų120.765%0.64560%0.597SS**Hα-helixtrans-63.5-36.6173.4-73.7172.3176.1169.31112.6L42 N44 A50L42-R46 WeakPolarHBondContact O-CB 3.36Å; L42-R46 VanDerWaalsContact O-CG 3.28Å; L42-R46 WeakPolarHBondContact O-CG 3.28Å; L42-R46 PolarHBondContact O-N 3.15Å; N44-R46 VanDerWaalsContact C-N 3.31Å; N44-R46 PolarHBondContact O-N 3.24Å; R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 3.37Å
47K79.9Confident66.7Low146 Ų146118.6 Ų118.664%0.63560%0.596SS**Hα-helixtrans-64.8-40.8173.6-110.4175.3178.5171.60112.7A43 N44 Q45 K51A43-K47 WeakPolarHBondContact O-CB 3.44Å; A43-K47 PolarHBondContact O-N 3.28Å; N44-K47 CarbonylContact O-C 3.59Å; N44-K47 WeakPolarHBondContact O-CA 3.44Å; N44-K47 VanDerWaalsContact O-CB 3.26Å; N44-K47 WeakPolarHBondContact O-CB 3.33Å; N44-K47 PolarHBondContact O-N 3.17Å; Q45-K47 VanDerWaalsContact C-N 3.34Å; Q45-K47 PolarHBondContact O-N 3.02Å; K47-K51 PolarHBondContact O-N 3.21Å; K47-K51 VanDerWaalsContact O-N 3.09Å
48E74.5Confident65.1Low137 Ų137123.1 Ų123.164%0.6461%0.609SS**Hα-helixtrans-68-48.6175.8-73.5-146.9111.500111.6N44 Q45 A50 K51 T52N44-E48 PolarHBondContact O-N 3.2Å; Q45-E48 PolarHBondContact O-N 3.36Å; E48-A50 PolarHBondContact O-N 3.05Å; E48-K51 CarbonylContact O-C 3.41Å; E48-K51 WeakPolarHBondContact O-CA 3.44Å; E48-K51 PolarHBondContact O-N 3.45Å; E48-T52 PolarHBondContact O-N 3.48Å; E48-T52 PolarHBondContact O-OG1 2.94Å
49M70.7Confident63.8Low130 Ų130122.7 Ų122.764%0.6461%0.611SS**Hα-helixtrans-56.2-37.6176.3-68.5-78.8-88.100112Q45 T52 H53Q45-M49 WeakPolarHBondContact O-CB 3.48Å; Q45-M49 WeakPolarHBondContact O-CG 3.45Å; Q45-M49 PolarHBondContact O-N 3Å; M49-T52 PolarHBondContact O-OG1 3.31Å; M49-H53 PolarHBondContact O-N 2.98Å
50A64.3Low61.9Low65 Ų65125.7 Ų125.754%0.53762%0.622SS.*Hα-helixtrans-68.7-37.3173.200000113.3R46 E48R46-A50 WeakPolarHBondContact O-CB 3.33Å; R46-A50 PolarHBondContact O-N 3.37Å; E48-A50 PolarHBondContact O-N 3.05Å
51K59Low59.8Low169 Ų169129.9 Ų129.974%0.73564%0.638SS**Hα-helixtrans-71.1-44.5176.3-87.4-172.5169.7-173.20112.9K47 E48 H53 H54 Q55K47-K51 PolarHBondContact O-N 3.21Å; K47-K51 VanDerWaalsContact O-N 3.09Å; E48-K51 CarbonylContact O-C 3.41Å; E48-K51 WeakPolarHBondContact O-CA 3.44Å; E48-K51 PolarHBondContact O-N 3.45Å; K51-H53 VanDerWaalsContact C-N 3.33Å; K51-H53 PolarHBondContact O-N 3.18Å; K51-H54 PolarHBondContact O-N 3.38Å; K51-H54 VanDerWaalsContact O-N 3.14Å; K51-Q55 PolarHBondContact O-N 3.3Å
52T55.4Low57.5Low89 Ų89137.2 Ų137.255%0.54666%0.661SS.*Hα-helixtrans-66.6-35.9-177.854.40000111.6E48 M49 H54 Q55E48-T52 PolarHBondContact O-N 3.48Å; E48-T52 PolarHBondContact O-OG1 2.94Å; M49-T52 PolarHBondContact O-OG1 3.31Å; T52-H54 VanDerWaalsContact C-N 3.29Å; T52-H54 PolarHBondContact O-N 3.14Å; T52-Q55 PolarHBondContact O-N 3.11Å
53H51.1Low55.1Low162 Ų162143.8 Ų143.875%0.7569%0.69SS**Hα-helixtrans-63.2-35.2172.9-160.8-72.1000112.4M49 K51M49-H53 PolarHBondContact O-N 2.98Å; K51-H53 VanDerWaalsContact C-N 3.33Å; K51-H53 PolarHBondContact O-N 3.18Å
54H48.3Very low52.6Low163 Ų163150.6 Ų150.676%0.75571%0.71SS**Hα-helixtrans-76.2-26.5-177-137.1-41.4000113.8K51 T52K51-H54 PolarHBondContact O-N 3.38Å; K51-H54 VanDerWaalsContact O-N 3.14Å; T52-H54 VanDerWaalsContact C-N 3.29Å; T52-H54 PolarHBondContact O-N 3.14Å
55Q45.6Very low50.4Low149 Ų149153.2 Ų153.270%0.69673%0.73SS**Hα-helixtrans-88-12.4-178.4-155.6173.573.700113.8K51 T52 G57K51-Q55 PolarHBondContact O-N 3.3Å; T52-Q55 PolarHBondContact O-N 3.11Å; Q55-G57 PolarHBondContact O-N 3.03Å
56K40.1Very low48.2Very low189 Ų189154.3 Ų154.382%0.82274%0.744SS**THydrogen-bonded Turntrans-71.3-5.1178.5-146.8170.2-173.5176.70114
57G40.6Very low45.8Very low59 Ų59154.9 Ų154.961%0.60875%0.754SS**THydrogen-bonded Turntrans-80.1-38176.800000115.3Q55Q55-G57 PolarHBondContact O-N 3.03Å
58E37.3Very low43.4Very low173 Ų173157.3 Ų157.381%0.80877%0.765SS**THydrogen-bonded Turntrans-98.3-23.1-162.7-66.9-165.710200115.8K60E58-K60 PolarHBondContact O-N 2.62Å; E58-K60 VanDerWaalsContact O-N 3.14Å
59K39.4Very low41.3Very low177 Ų177161.2 Ų161.277%0.7778%0.78SS**G310 helixtrans-66.3-14.5176.9-88.5-163.5170.6-166.30114.1K61K59-K61 PolarHBondContact O-N 3.24Å
60K35.3Very low39.5Very low204 Ų204159 Ų15989%0.88779%0.789SS**G310 helixtrans-73.215.4-174.3-143.7178.8-175.8-178.20115.3E58E58-K60 PolarHBondContact O-N 2.62Å; E58-K60 VanDerWaalsContact O-N 3.14Å
61K33.5Very low37.6Very low196 Ų196165.4 Ų165.485%0.85281%0.805SS**G310 helixtrans-131.62.7-176.9-145.4177.3-178.2179.60116.5K59K59-K61 PolarHBondContact O-N 3.24Å
62K31.2Very low36.3Very low204 Ų204163.1 Ų163.189%0.88781%0.806SS**SBendtrans-142.144.8176.8-83-160.2173.5-1730114.6
63E31.2Very low35.1Very low178 Ų178168.3 Ų168.383%0.83282%0.821SS**  trans-146.940.1165.7-146.7158.6-167.400112.9
64K30.8Very low34Very low196 Ų196169.8 Ų169.885%0.85283%0.825SS**SBendtrans-99.3146.4147.1-78.9-166.4172.1-168.60107.4
65T32.7Very low33.1Very low139 Ų139171.9 Ų171.985%0.85383%0.832SS**SBendtrans74.862.8177.9-39.60000115.7
66V32.5Very low32.3Very low145 Ų145172.9 Ų172.988%0.87984%0.836SS**  -14477.7115.8-170.50000109.5
67E27.8Very low31.8Very low183 Ų183173 Ų17386%0.85584%0.84SS**  trans-101.5122.6150.1-82.3-16710500108.1
68K30.9Very low31.2Very low196 Ų196178.9 Ų178.985%0.85285%0.849SS**  trans164.3144.9136.4-91.8162.7-178.2177.70112.8
69K29.9Very low31.2Very low220 Ų220176.7 Ų176.796%0.95785%0.85SS**  trans78.9116.3176.1-62.1-173.9174.4-177.50116.4
70G31.8Very low30.7Very low82 Ų82175.6 Ų175.685%0.84585%0.852SS**  trans172.437.817600000114.6
71K26.4Very low30.5Very low201 Ų201169.4 Ų169.487%0.87485%0.846SS**  trans-71.7148.2176.3-70.1-173.3175.1-174.20110.8
72T31.2Very low30.2Very low121 Ų121169.1 Ų169.174%0.74285%0.845SS**  150.3141.4114.6-59.90000113.6
73K29.1Very low30.2Very low198 Ų198167.2 Ų167.286%0.86184%0.843SS**  trans6194.9164.2-81.3171.3178.9179.60119.3
74K29.3Very low30.2Very low192 Ų192163.9 Ų163.984%0.83584%0.837SS**  trans-73.1158.3134.9-82.6-179.1174.8176.70109.6
75K28.1Very low30Very low208 Ų208163.2 Ų163.290%0.90484%0.836SS**  trans-134.6143.6154.3-166.3-170.5177.2-160.20107.4
76E28.7Very low29.7Very low169 Ų169163.2 Ų163.279%0.7983%0.826SS**  trans-82.3154.4-179.4-56.7171.410200112.6
77E29.5Very low29.6Very low193 Ų193164 Ų16490%0.90283%0.826SS**  trans-149.5156.2146.4-159.7145.6-14200109.8
78K29.6Very low29.7Very low181 Ų181162.3 Ų162.379%0.78782%0.822SS**  trans-115.8134.6-160.9-59.1172.2-177.6174.40112.9
79P36.2Very low29.7Very low128 Ų128161.2 Ų161.283%0.83183%0.825SS**  trans-114.5128.4156.634.3-23.3000111.1
80N29.7Very low29.8Very low154 Ų154156.5 Ų156.582%0.82482%0.817SS**  trans-147.7126.7175.1-171.117.9000110.3
81G29.8Very low29.6Very low73 Ų73159 Ų15975%0.75381%0.811SS**  trans-169.9125.8179.600000110.5
82K28.5Very low29.8Very low190 Ų190156.1 Ų156.183%0.82681%0.81SS**  trans-133.8139.9-178.1-65.8-177.9176.6-1750109.3
83I30.4Very low29.7Very low165 Ų165154.4 Ų154.485%0.84680%0.799SS**  trans-141.8118.9172.7-53.8-178.3000108.3
84P30.9Very low29.6Very low108 Ų108152.4 Ų152.470%0.70180%0.796SS**  trans-66.6164.4172.4-24.938.8000113.5
85E26.5Very low29.7Very low181 Ų181150.4 Ų150.485%0.84679%0.794SS**  cis61.8144.235.9-73.6-165149.500115.6
86H27Very low29.8Very low139 Ų139147.6 Ų147.664%0.64479%0.788SS**  cis-167.8133.5-28.7-174.5-52.7000105.5
87D31.1Very low29.8Very low163 Ų163148 Ų14887%0.87279%0.787SS**  trans-140.6158.6179-111.8-48.3000113.3
88L29.4Very low29.7Very low147 Ų147147.7 Ų147.777%0.7779%0.785SS**  trans-142.7118.1-163.7-74.5168.6000113.5
89D30Very low29.9Very low173 Ų173144.7 Ų144.793%0.92578%0.784SS**PPolyproline II helixtrans-87.5126.3173.7-83-56.5000113.1
90P33.4Very low29.4Very low120 Ų120144.2 Ų144.278%0.77978%0.779SS**PPolyproline II helixtrans-92.8132-178.833.8-33.1000115.1
91N26.7Very low29.4Very low136 Ų136147.8 Ų147.873%0.72778%0.781SS**PPolyproline II helixtrans-65.1132.4179.1164.320.4000115.5T93N91-T93 PolarHBondContact OD1-OG1 2.84Å
92V31Very low29.2Very low139 Ų139151.2 Ų151.284%0.84279%0.786SS**  trans-145147.2159.9-175.40000109.7
93T28.1Very low29.1Very low85 Ų85147.8 Ų147.852%0.52179%0.786SS.*  177106.7-53.6-920000109N91N91-T93 PolarHBondContact OD1-OG1 2.84Å
94I27.3Very low28.7Very low156 Ų156144.6 Ų144.680%0.879%0.785SS**  trans68.7138.4163.1-40.4160.4000114.3
95I31.3Very low28.6Very low151 Ų151146 Ų14677%0.77479%0.791SS**  -171.1161.574.1-71.4161.7000110.4
96L31.5Very low28.5Very low149 Ų149141.4 Ų141.478%0.7878%0.784SS**  trans9982.8156.7-96155.3000122.1
97K27.8Very low28.7Very low178 Ų178141.1 Ų141.177%0.77479%0.792SS**  trans39.2109.7131.8-60.9-177.2175.2-179.90122.9
98E28.5Very low28.5Very low185 Ų185137.4 Ų137.486%0.86478%0.784SS**  50.4150.2118.2-70.5-172.2115.400124.6
99P32.4Very low28.6Very low118 Ų118135.5 Ų135.577%0.76678%0.78SS**  trans-110.8163.9-16042-33.3000116
100V26.6Very low28.5Very low118 Ų118133.3 Ų133.372%0.71577%0.773SS**  trans-141124.5177179.80000113.2
101R28.3Very low28.3Very low230 Ų230133.4 Ų133.487%0.86878%0.777SS**  trans66.9110.8158.6-69.2167.1-149.8-147.23.6120.6
102V25.6Very low28.3Very low144 Ų144132.8 Ų132.887%0.87378%0.778SS**  trans-33.3146.4143.1-73.50000116
103S26.7Very low28.3Very low118 Ų118135.1 Ų135.183%0.82578%0.779SS**  trans-142.1148.9148.9-1730000108.3
104A23.1Very low28.2Very low98 Ų98136.1 Ų136.181%0.8179%0.789SS**  trans-130.4127.6-175.600000110.6
105V28.4Very low28.3Very low137 Ų137134.2 Ų134.283%0.8379%0.79SS**  trans-137.1149.3175.5179.20000109.3
106A24.3Very low28.2Very low85 Ų85134 Ų13470%0.70280%0.795SS**  trans-59.3176.7179.100000113.1
107V31.8Very low28.1Very low134 Ų134130.3 Ų130.381%0.81279%0.794SS**  -160.1146.860.2166.20000110.8
108A25.5Very low28Very low85 Ų85130.7 Ų130.770%0.70280%0.798SS**  trans-107.7156.2162.500000108
109P33.2Very low27.9Very low107 Ų107127.7 Ų127.770%0.69579%0.792SS**  -158.4-159.563.742-18.4000116.2
110T26.7Very low27.8Very low127 Ų127127.4 Ų127.478%0.77979%0.79SS**  trans60.6112.915349.40000120.6
111S29.9Very low27.6Very low121 Ų121129.9 Ų129.985%0.84680%0.798SS**  -148.3155.5113.1-164.90000111.2
112V25.5Very low27.4Very low124 Ų124122.7 Ų122.775%0.75279%0.788SS**  trans-96.6143.5-172.6-74.70000112.3
113H30.7Very low27.3Very low188 Ų188122.2 Ų122.287%0.8779%0.785SS**  -157.2150.2128-127-88.4000111.8
114S27.6Very low27.1Very low105 Ų105123 Ų12373%0.73478%0.784SS**  trans-110.3139.9-171.150.90000112.9
115S28.6Very low27.4Very low117 Ų117123.4 Ų123.482%0.81878%0.779SS**  trans-149.894.4154.1-160.50000111.2
116V29.5Very low27.4Very low145 Ų145120.7 Ų120.788%0.87977%0.771SS**  trans24.7126.5134.6-172.60000118
117G28.9Very low27.4Very low73 Ų73124.2 Ų124.275%0.75378%0.775SS**  trans168.617.3166.600000122.1
118H25.9Very low27.6Very low185 Ų185121.8 Ų121.886%0.85676%0.762SS**  trans-68.2149.3165.1-76.6-153.7000109.4
119T26.3Very low27.7Very low122 Ų122125.6 Ų125.675%0.74877%0.765SS**  cis-160.7169.36.170000108.5
120P30.6Very low27.5Very low112 Ų112127.7 Ų127.773%0.72777%0.766SS**  trans-86.2159.5-175.436.1-35.9000113.8
121I22.8Very low27.5Very low171 Ų171131 Ų13188%0.87777%0.769SS**  trans-171.2155153.9-106.9154.7000112.7
122A22.9Very low27.3Very low79 Ų79133 Ų13365%0.65377%0.769SS**  trans64.1109.7160.500000122.6
123T23.4Very low27.5Very low134 Ų134131.4 Ų131.482%0.82277%0.77SS**  81.8133.6123.9-55.30000120.9P125T123-P125 WeakPolarHBondContact O-CD 3.4Å
124V22.8Very low27.3Very low133 Ų133127.8 Ų127.881%0.80677%0.766SS**  trans-99.4122.4-179.8173.90000112.7
125P29.5Very low27.3Very low108 Ų108128 Ų12870%0.70177%0.767SS**  trans-106.9136.8156.637.1-29000110.9T123T123-P125 WeakPolarHBondContact O-CD 3.4Å
126A28.1Very low27.5Very low80 Ų80127.7 Ų127.766%0.66176%0.762SS**  102.159.2102.700000114.6
127M26Very low27.3Very low158 Ų158130.4 Ų130.478%0.77876%0.762SS**  -66.7162.5110.9-68-174.580.500113.2K1538M127-K1538 VanDerWaalsContact O-CD 3.23Å; M127-K1538 WeakPolarHBondContact O-CD 3.42Å; M127-K1538 WeakPolarHBondContact O-CE 3.06Å; M127-K1538 PolarHBondContact O-NZ 2.81Å
128P34.6Very low27.2Very low83 Ų83131.9 Ų131.954%0.53975%0.753SS.*  cis-120.21642.740-27.6000114.7
129Q28.8Very low27.2Very low165 Ų165132.6 Ų132.677%0.77175%0.748SS**  trans-102.6136.7166.8-104.9-179.4-8300111.8
130E28.4Very low27.1Very low151 Ų151135.3 Ų135.371%0.70675%0.749SS**  trans31.4120.1141.3-56.1173.3100.900118.1
131K27.2Very low26.9Very low198 Ų198138.5 Ų138.586%0.86175%0.752SS**  -153.5128.460.8-85.5176.3175.5173.90113.4
132L24.6Very low27Very low161 Ų161135.2 Ų135.284%0.84373%0.731SS**  trans-91.9136.2152.2-79.2165.5000108.6
133A30Very low27.2Very low92 Ų92133.4 Ų133.476%0.7671%0.709SS**  trans-143.3128168.600000110.2
134S27Very low27.3Very low112 Ų112129.4 Ų129.478%0.78368%0.68SS**  trans-24.6148.5166.645.70000116.8
135S27.2Very low27.5Very low109 Ų109126.3 Ų126.376%0.76266%0.656SS**  cis-168.5163.313.5-118.70000111.4
136P32.7Very low27.3Very low111 Ų111125.8 Ų125.872%0.72165%0.651SS**  trans-84.9139.8175.734.1-34.2000113.2
137K26.2Very low27.4Very low202 Ų202125.1 Ų125.188%0.87865%0.645SS**  trans-175.4152.9146.7-102.8147.6-176.51710108.1
138D26.1Very low27.7Very low103 Ų103122.1 Ų122.155%0.55163%0.628SS**  cis162.8170.3-9.1173.218.3000102.7
139R26.4Very low27.5Very low201 Ų201121.9 Ų121.976%0.75863%0.625SS**  trans78.2116.8168.1-69136.7-156.5-119.4-5.4117.8
140K23.7Very low27.5Very low178 Ų178121.8 Ų121.877%0.77462%0.624SS**  cis84.681.740.5-175-171.5-176.5172.10112.6
141K26.7Very low27.8Very low180 Ų180120.5 Ų120.578%0.78363%0.629SS**  trans176.9146.1136.5-98.4170.2179-178.50108.5
142K23.9Very low27.9Very low102 Ų102114.6 Ų114.644%0.44362%0.617SS.*  cis-168150.4-24.8-122.2-170.3-177.4-131.70105.1Q1053 Q1054K142-Q1053 CarbonylContact O-C 3.3Å; K142-Q1054 WeakPolarHBondContact O-CA 3.34Å; K142-Q1054 WeakPolarHBondContact O-CB 3.38Å; K142-Q1054 PolarHBondContact O-N 2.85Å; K142-Q1054 VanDerWaalsContact O-N 3.12Å
143E27.1Very low28Very low41 Ų41114 Ų11419%0.19262%0.62CS.*  29.9147.2109.2-148.4-161.9143.700117.9Q1050 Q1053 Q1054E143-Q1050 WeakPolarHBondContact CA-O 3.43Å; E143-Q1050 HydrophobicContact CG-CB 4.15Å; E143-Q1050 HydrophobicContact CG-CG 4.05Å; E143-Q1050 VanDerWaalsContact CG-O 3.25Å; E143-Q1050 WeakPolarHBondContact CG-O 3.41Å; E143-Q1050 WeakPolarHBondContact OE1-CG 3.38Å; E143-Q1050 PolarHBondContact OE1-NE2 2.88Å; E143-Q1053 CarbonylContact O-C 3.52Å; E143-Q1053 VanDerWaalsContact O-CB 3.27Å; E143-Q1053 WeakPolarHBondContact O-CB 3.38Å; E143-Q1054 PolarHBondContact O-N 3.04Å
144K26.7Very low27.7Very low50 Ų50114.3 Ų114.322%0.21762%0.617CS.*  trans161.10166.3-19.4-169.3160-64.40134.9R1049 Q1050 E1051 E1052 Q1053K144-R1049 VanDerWaalsContact CA-C 3.49Å; K144-R1049 HydrophobicContact CB-CG 4.2Å; K144-R1049 WeakPolarHBondContact CB-O 3.37Å; K144-R1049 HydrophobicContact CD-CG 4.28Å; K144-R1049 WeakPolarHBondContact CD-O 3.31Å; K144-R1049 WeakPolarHBondContact CE-O 3.45Å; K144-R1049 VanDerWaalsContact CG-C 3.44Å; K144-R1049 WeakPolarHBondContact CG-O 3.39Å; K144-R1049 PolarHBondContact NZ-O 2.82Å; K144-R1049 VanDerWaalsContact O-CA 3.32Å; K144-R1049 WeakPolarHBondContact O-CA 3.45Å; K144-Q1050 PolarHBondContact N-O 3.5Å; K144-E1051 VanDerWaalsContact C-C 3.46Å; K144-E1052 WeakPolarHBondContact O-CB 3.33Å; K144-E1052 PolarHBondContact O-N 2.96Å; K144-Q1053 VanDerWaalsContact CA-N 3.35Å; K144-Q1053 HydrophobicContact CB-CB 3.83Å; K144-Q1053 HydrophobicContact CB-CG 3.75Å; K144-Q1053 PolarHBondContact O-N 2.9Å
145K26Very low27.8Very low67 Ų67114.2 Ų114.229%0.29162%0.616SS.*  0170.50-128.7178.6-141.1152.90115.9A1047 S1048 R1049 Q1050 E1051K145-A1047 VanDerWaalsContact CB-C 3.41Å; K145-A1047 WeakPolarHBondContact CB-O 3.22Å; K145-A1047 HydrophobicContact CD-CB 3.68Å; K145-A1047 WeakPolarHBondContact CD-O 3.31Å; K145-A1047 WeakPolarHBondContact CG-O 3.5Å; K145-S1048 CarbonylContact C-O 3.56Å; K145-S1048 PolarHBondContact N-O 2.85Å; K145-S1048 CarbonylContact O-C 3.6Å; K145-S1048 WeakPolarHBondContact O-CA 3.32Å; K145-S1048 PolarHBondContact O-OG 3.27Å; K145-R1049 VanDerWaalsContact N-CA 3.34Å; K145-Q1050 VanDerWaalsContact CB-C 3.41Å; K145-Q1050 VanDerWaalsContact CB-CA 3.48Å; K145-Q1050 HydrophobicContact CB-CB 3.88Å; K145-Q1050 HydrophobicContact CD-CB 3.63Å; K145-Q1050 HydrophobicContact CG-CB 3.83Å; K145-E1051 VanDerWaalsContact CA-CA 3.43Å; K145-E1051 VanDerWaalsContact CA-OE2 3.24Å; K145-E1051 WeakPolarHBondContact CA-OE2 3.4Å; K145-E1051 HydrophobicContact CB-CB 4.19Å; K145-E1051 HydrophobicContact CG-CB 3.6Å
146V25.5Very low27.7Very low97 Ų97116.2 Ų116.259%0.58862%0.617SS**  trans-12.4120.9138.7178.80000120.3A1047 S1048 E1051V146-A1047 CarbonylContact O-C 3.55Å; V146-S1048 WeakPolarHBondContact O-CA 3.25Å; V146-S1048 VanDerWaalsContact O-CB 3.27Å; V146-S1048 WeakPolarHBondContact O-CB 3.43Å; V146-S1048 PolarHBondContact O-N 2.91Å; V146-S1048 PolarHBondContact O-OG 2.9Å; V146-E1051 PolarHBondContact N-OE2 2.86Å
147A31.7Very low27.3Very low67 Ų67116.4 Ų116.455%0.55462%0.615SS**  trans-160.8157.1149.500000111.5S1048A147-S1048 VanDerWaalsContact CB-CB 3.45Å; A147-S1048 WeakPolarHBondContact CB-OG 3.36Å
148K32.4Very low27.5Very low95 Ų95114.2 Ų114.241%0.41361%0.613SS.*  cis-163.2117.2-20.2167.4170.4179.81740107.2L1041 K1044K148-L1041 HydrophobicContact CD-CD1 4.32Å; K148-K1044 HydrophobicContact CD-CB 3.89Å; K148-K1044 HydrophobicContact CD-CD 4.17Å
149V28.9Very low27.5Very low77 Ų77112.9 Ų112.947%0.46761%0.612SS.*  trans53.2104.9135.2166.70000117.2
150E28.4Very low27.4Very low164 Ų164110.7 Ų110.777%0.76661%0.614SS**  83.9174.399.7-73.6167-151.900114
151P36.4Very low27.5Very low123 Ų123110.6 Ų110.680%0.79962%0.616SS**  cis-109.1-119.7-21.716.28.5000110.1
152A28.3Very low27.4Very low75 Ų75107.5 Ų107.562%0.6261%0.612SS**  cis-165.5148.3-900000112.9
153V26.6Very low27.7Very low147 Ų147110.3 Ų110.389%0.89163%0.631SS**  trans60.5159.3158.4-162.70000118.3
154S24.9Very low27.6Very low100 Ų100112.7 Ų112.770%0.69966%0.658SS**  -172.9177.4-58.3-167.30000108.5
155S28.5Very low27.7Very low110 Ų110115.6 Ų115.677%0.76968%0.684SS**  trans86.2162.517481.80000118.9
156I25.6Very low27.8Very low151 Ų151122 Ų12277%0.77471%0.712SS**  -164.6142.7-65.2-105160.3000110.8
157V23.6Very low27.8Very low115 Ų115123.1 Ų123.170%0.69772%0.724SS**  trans23.1123.6158.3-175.20000121.3
158N30.9Very low27.5Very low155 Ų155123.9 Ų123.983%0.82973%0.73SS**  trans-167.4164.2139.9-99.8-36.8000110.2
159S25.6Very low27.1Very low75 Ų75126.4 Ų126.452%0.52475%0.747SS.*  cis178.8120.7-43.9-93.90000109.9
160I23.7Very low26.8Very low155 Ų155129.3 Ų129.380%0.79576%0.759SS**  trans67.9152.2154.6-44.6168.1000118.4
161Q27.1Very low26.7Very low177 Ų177129.4 Ų129.483%0.82776%0.759SS**  trans103.9123.8164.8-57.9-168.459.400115.7
162V23.9Very low26.1Very low115 Ų115126.9 Ų126.970%0.69775%0.749SS**  cis121.3156.419.4160.10000108.7
163L30.7Very low26.1Very low160 Ų160127.4 Ų127.484%0.83875%0.745SS**  trans76.1109.2-168.1-47.3-178.7000112.6
164A25.2Very low26.1Very low91 Ų91123.1 Ų123.175%0.75272%0.72SS**  cis88.715727.100000115.8
165S28.7Very low26Very low111 Ų111121.5 Ų121.578%0.77670%0.7SS**  trans69.6110.2-172.2-59.30000114.6
166K26.7Very low25.8Very low203 Ų203118 Ų11888%0.88367%0.671SS**  57.5102.762.1-61.4-177.5175.9179.20113.2
167S26Very low25.9Very low120 Ų120116.2 Ų116.284%0.83967%0.668SS**  trans-162.2143136.558.50000112.3
168A26.2Very low26Very low82 Ų82112.6 Ų112.668%0.67865%0.646SS**  trans67.6127.4153.300000120.2
169I24Very low25.7Very low149 Ų149112.4 Ų112.476%0.76464%0.642SS**  cis70.787.334.2-51.1164.4000107.1
170L22.2Very low25.7Very low138 Ų138113.5 Ų113.572%0.72365%0.645SS**  -179.9167.369.9-91.8162.2000108.6
171E25.8Very low25.7Very low166 Ų166107.1 Ų107.178%0.77662%0.616SS**  cis-169.7-125.5-7.5-173165.8-149.300106.8T173E171-T173 PolarHBondContact O-N 2.89Å
172A25Very low25.7Very low70 Ų70100.1 Ų100.158%0.57959%0.585SS**  trans55.256.6155.500000116.8P174A172-P174 VanDerWaalsContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CD 3.46Å
173T27.6Very low26.1Very low86 Ų8694.7 Ų94.753%0.52855%0.552SS.*  trans-55.7132.3160.359.60000110.9E171 K175E171-T173 PolarHBondContact O-N 2.89Å; T173-K175 WeakPolarHBondContact OG1-CE 3.43Å; T173-K175 PolarHBondContact OG1-NZ 3.31Å
174P25.5Very low26Very low56 Ų5687.5 Ų87.536%0.36452%0.515SS..  -121.6137.5112.737.6-36.2000110.2A172A172-P174 VanDerWaalsContact O-CD 3.28Å; A172-P174 WeakPolarHBondContact O-CD 3.46Å
175K23.5Very low26Very low66 Ų6683.2 Ų83.229%0.28748%0.479SS..  59.9134.358.6-53.1150.9-179.8161.40106.9T173 E282 Q305T173-K175 WeakPolarHBondContact OG1-CE 3.43Å; T173-K175 PolarHBondContact OG1-NZ 3.31Å; K175-E282 IonicContact NZ-OE2 2.89Å; K175-E282 PolarHBondContact NZ-OE2 2.57Å; K175-Q305 VanDerWaalsContact C-CD 3.42Å; K175-Q305 PolarHBondContact O-NE2 2.73Å; K175-Q305 PolarHBondContact O-OE1 2.96Å
176E24.7Very low25.8Very low37 Ų3778 Ų7817%0.17344%0.444CS..  cis-99.6171.334.3-144.1-177.1128.200111.5Q285 Q287 Q305 Q307E176-Q285 HydrophobicContact CG-CG 3.72Å; E176-Q287 PolarHBondContact OE1-NE2 3.44Å; E176-Q305 VanDerWaalsContact CB-OE1 3.25Å; E176-Q305 HydrophobicContact CG-CB 4.02Å; E176-Q305 VanDerWaalsContact N-CD 3.35Å; E176-Q307 PolarHBondContact OE1-NE2 3.37Å; E176-Q307 PolarHBondContact OE2-NE2 3.47Å
177V26.5Very low25.8Very low114 Ų11468.5 Ų68.569%0.69140%0.403SS*.  trans-113.5-101.7157.1-151.50000109.6Q285V177-Q285 VanDerWaalsContact N-NE2 3.2Å
178P26.5Very low25.8Very low39 Ų3968 Ų6825%0.25339%0.386SS..  -116175.1-102.134.5-27000117Q287P178-Q287 PolarHBondContact O-NE2 3.03Å
179M23.7Very low25.8Very low151 Ų15165.1 Ų65.174%0.74436%0.362SS*.  trans-33.1157.7151.8-81.2165.659.200118.8
180V26.4Very low25.9Very low97 Ų9764.4 Ų64.459%0.58837%0.37SS*.  trans73.1173134.1169.90000119.8Q267V180-Q267 PolarHBondContact O-NE2 3.3Å; V180-Q267 PolarHBondContact O-OE1 3.08Å
181A23.4Very low26.1Very low21 Ų2162 Ų6217%0.17436%0.364CS..  trans72.9159.717500000117.4Q247 Q267 K269A181-Q247 VanDerWaalsContact CB-CD 3.46Å; A181-Q247 HydrophobicContact CB-CG 4.22Å; A181-Q267 PolarHBondContact O-OE1 3.09Å; A181-K269 WeakPolarHBondContact O-CE 3.27Å; A181-K269 PolarHBondContact O-NZ 3.49Å
182V28Very low26.9Very low31 Ų3159.3 Ų59.319%0.18836%0.361CS..  trans-177.5143.8179.9-108.90000108.6Q227 Q247 G248 K249 K269V182-Q227 VanDerWaalsContact O-CD 3.26Å; V182-Q227 PolarHBondContact O-OE1 2.82Å; V182-Q247 VanDerWaalsContact CA-CB 3.45Å; V182-Q247 HydrophobicContact CG1-CB 4.31Å; V182-G248 WeakPolarHBondContact CG1-O 3.45Å; V182-K249 HydrophobicContact CB-CD 4.35Å; V182-K249 HydrophobicContact CB-CG 3.9Å; V182-K249 HydrophobicContact CG1-CG 3.89Å; V182-K249 VanDerWaalsContact CG2-CE 3.43Å; V182-K249 HydrophobicContact CG2-CG 4.47Å; V182-K269 HydrophobicContact CG1-CB 4.43Å; V182-K269 HydrophobicContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CE 3.46Å; V182-K269 HydrophobicContact CG1-CG 3.74Å
183P32.7Very low27.3Very low0 Ų059 Ų590%036%0.359CS..  cis-121.1-151.85.25.122.7000117.1Q227 A228 K229 Q247 K249P183-Q227 VanDerWaalsContact CD-CD 3.46Å; P183-Q227 HydrophobicContact CG-CB 4.49Å; P183-A228 WeakPolarHBondContact CB-O 3.46Å; P183-A228 WeakPolarHBondContact CG-O 3.35Å; P183-K229 HydrophobicContact CG-CG 4.41Å; P183-Q247 VanDerWaalsContact C-CA 3.45Å; P183-Q247 VanDerWaalsContact C-N 3.27Å; P183-Q247 WeakPolarHBondContact O-CA 3.49Å; P183-Q247 VanDerWaalsContact O-CB 3.3Å; P183-Q247 WeakPolarHBondContact O-CB 3.11Å; P183-Q247 PolarHBondContact O-N 3.27Å; P183-Q247 PolarHBondContact O-OE1 3.39Å; P183-K249 HydrophobicContact CB-CB 3.74Å; P183-K249 HydrophobicContact CB-CD 4.37Å; P183-K249 HydrophobicContact CB-CG 3.85Å; P183-K249 HydrophobicContact CG-CB 3.83Å; P183-K249 HydrophobicContact CG-CD 3.54Å; P183-K249 HydrophobicContact CG-CG 3.59Å
184P27.3Very low28.2Very low9 Ų958.7 Ų58.76%0.05836%0.357CS..  -144.8-13299.427.54.2000115.9N226 A228 N236 N246 Q247 N256P184-N226 VanDerWaalsContact CB-C 3.46Å; P184-N226 HydrophobicContact CB-CB 3.68Å; P184-N226 WeakPolarHBondContact CB-O 3.25Å; P184-N226 HydrophobicContact CG-CB 3.89Å; P184-A228 VanDerWaalsContact CA-N 3.29Å; P184-N236 HydrophobicContact CB-CB 4.45Å; P184-N236 VanDerWaalsContact CB-OD1 3.3Å; P184-N236 WeakPolarHBondContact CB-OD1 3.35Å; P184-N236 HydrophobicContact CG-CB 3.84Å; P184-N236 WeakPolarHBondContact CG-ND2 3.49Å; P184-N246 HydrophobicContact CG-CB 3.74Å; P184-Q247 WeakPolarHBondContact CD-O 3.4Å; P184-Q247 VanDerWaalsContact N-C 3.31Å; P184-N256 WeakPolarHBondContact CD-OD1 3.37Å
185V25Very low29.2Very low1 Ų160 Ų601%0.00637%0.367CS..  trans-116.3130.1-142.1-156.10000111.6A208 N216 Q227 A228 A234 Q235 N236V185-A208 HydrophobicContact CG1-CB 3.54Å; V185-A208 HydrophobicContact CG2-CB 4.2Å; V185-N216 HydrophobicContact CG2-CB 4.01Å; V185-N216 WeakPolarHBondContact CG2-ND2 3.49Å; V185-N216 WeakPolarHBondContact CG2-OD1 3.43Å; V185-Q227 WeakPolarHBondContact CG2-O 3.44Å; V185-A228 HydrophobicContact CB-CB 3.62Å; V185-A228 HydrophobicContact CG1-CB 3.62Å; V185-A228 HydrophobicContact CG2-CB 3.32Å; V185-A234 CarbonylContact O-C 3.59Å; V185-A234 VanDerWaalsContact O-CA 3.31Å; V185-A234 WeakPolarHBondContact O-CA 3.36Å; V185-Q235 CarbonylContact O-C 3.55Å; V185-Q235 PolarHBondContact O-N 3.39Å; V185-N236 WeakPolarHBondContact CB-OD1 3.37Å; V185-N236 WeakPolarHBondContact CG2-OD1 3.44Å; V185-N236 PolarHBondContact N-ND2 2.94Å; V185-N236 PolarHBondContact N-OD1 3.07Å; V185-N236 PolarHBondContact O-ND2 3.35Å; V185-N236 PolarHBondContact O-OD1 3.24Å
186G25.8Very low30.8Very low3 Ų358.5 Ų58.53%0.03137%0.365CS..  -118.3-178.7101.900000108.3
187S25.9Very low32.2Very low3 Ų361.6 Ų61.62%0.02138%0.38CS..  cis-157.7-166.913.7-11.70000118.9G211 E212 A214 G231 E232S187-G211 WeakPolarHBondContact CA-O 3.44Å; S187-G211 WeakPolarHBondContact CB-O 3.26Å; S187-G211 PolarHBondContact N-O 2.86Å; S187-G211 CarbonylContact O-C 3.59Å; S187-G211 VanDerWaalsContact O-CA 3.28Å; S187-G211 WeakPolarHBondContact O-CA 3.39Å; S187-G211 PolarHBondContact OG-O 3.45Å; S187-E212 VanDerWaalsContact CB-C 3.46Å; S187-E212 VanDerWaalsContact CB-CA 3.46Å; S187-A214 VanDerWaalsContact C-N 3.32Å; S187-A214 VanDerWaalsContact CB-N 3.28Å; S187-A214 WeakPolarHBondContact O-CB 3.26Å; S187-G231 WeakPolarHBondContact OG-CA 3.38Å; S187-G231 PolarHBondContact OG-O 2.83Å; S187-E232 WeakPolarHBondContact CB-O 3.41Å; S187-E232 PolarHBondContact OG-N 3.41Å; S187-E232 VanDerWaalsContact OG-N 3.1Å; S187-E232 PolarHBondContact OG-O 2.99Å
188K25.9Very low33.4Very low110 Ų11056.9 Ų56.948%0.47835%0.354SS..  trans-68.2-68.2-146.3-152-157.5-43.8162.90121.9A193 E212 G213K188-A193 WeakPolarHBondContact O-CA 3.24Å; K188-A193 WeakPolarHBondContact O-CB 3.33Å; K188-E212 VanDerWaalsContact CB-C 3.42Å; K188-E212 WeakPolarHBondContact CB-O 3.47Å; K188-E212 WeakPolarHBondContact CE-O 3.24Å; K188-E212 PolarHBondContact N-O 2.61Å; K188-G213 WeakPolarHBondContact CB-O 3.23Å; K188-G213 WeakPolarHBondContact CG-O 3.45Å; K188-G213 VanDerWaalsContact N-C 3.35Å; K188-G213 VanDerWaalsContact N-N 3.11Å
189A27.3Very low34.6Very low21 Ų2164.1 Ų64.117%0.17438%0.382CS..  -75.8-157.5-99.200000118.5S191 E212A189-S191 PolarHBondContact O-N 3.42Å; A189-E212 HydrophobicContact CB-CB 4.36Å; A189-E212 WeakPolarHBondContact CB-OE2 3.44Å
190S24.7Very low35.5Very low133 Ų13365.9 Ų65.993%0.9339%0.385SS*.SBendtrans-62.922.4176.5-37.20000114
191S27.6Very low36.6Very low87 Ų8763 Ų6361%0.60838%0.375SS*.SBendtrans-147132.9167.361.10000107.8A189A189-S191 PolarHBondContact O-N 3.42Å
192P42.3Very low38Very low110 Ų11069.5 Ų69.571%0.71440%0.402SS*.  -45.3120.5-11029.7-36.4000115.4T194P192-T194 PolarHBondContact O-N 3.06Å
193A33.1Very low39.3Very low64 Ų6470.5 Ų70.553%0.52942%0.418SS..  trans-69.183.617800000113.5K188 S195K188-A193 WeakPolarHBondContact O-CA 3.24Å; K188-A193 WeakPolarHBondContact O-CB 3.33Å; A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.05Å
194T46.2Very low40.8Very low80 Ų8072 Ų7249%0.49143%0.43SS..  trans-73.870.3-173.138.80000113.5P192 S196P192-T194 PolarHBondContact O-N 3.06Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.34Å
195S47.7Very low42.9Very low82 Ų8276.1 Ų76.157%0.57345%0.449SS*.  trans-70.979.5174.859.10000112.6A193 Q197A193-S195 VanDerWaalsContact C-N 3.28Å; A193-S195 PolarHBondContact O-N 3.05Å; S195-Q197 PolarHBondContact O-N 3.32Å
196S55.8Low45.2Very low35 Ų3577 Ų7725%0.24545%0.454CS..  trans-67.3121.3-18068.90000112.5T194 N216 Q217T194-S196 VanDerWaalsContact C-N 3.34Å; T194-S196 PolarHBondContact O-N 3.34Å; S196-N216 PolarHBondContact OG-ND2 3.03Å; S196-N216 PolarHBondContact OG-OD1 3.12Å; S196-Q217 PolarHBondContact O-N 2.66Å; S196-Q217 VanDerWaalsContact O-N 3.17Å
197Q55.3Low47.4Very low103 Ų10380.9 Ų80.948%0.48147%0.471SS..  trans-122.490.9174.9-65.7-168.624.400110.8S195 K199 K219S195-Q197 PolarHBondContact O-N 3.32Å; Q197-K199 PolarHBondContact O-N 2.87Å; Q197-K219 VanDerWaalsContact OE1-CE 3.23Å
198G51.8Low49.4Very low15 Ų1581.3 Ų81.316%0.15548%0.475CS..PPolyproline II helixtrans-56.9122.4170.100000111.6
199K50.1Low51.2Low191 Ų19183.4 Ų83.483%0.8348%0.484SS*.PPolyproline II helixtrans-73173.8167.8-71.8-178.6179175.50109.9Q197 G201Q197-K199 PolarHBondContact O-N 2.87Å; K199-G201 PolarHBondContact O-N 3.04Å
200K43.4Very low52.5Low188 Ų18890.5 Ų90.582%0.81751%0.511SS*.SBendtrans-48.5128.7-177.2-55.2171.7-175.6172.80110.9
201G49.6Very low53.9Low36 Ų3684.7 Ų84.737%0.37147%0.472SS..  trans175.2153.1171.500000112.3K199 G221K199-G201 PolarHBondContact O-N 3.04Å; G201-G221 WeakPolarHBondContact O-CA 3.42Å
202Q53Low55.3Low157 Ų15785.6 Ų85.673%0.73447%0.467SS*.THydrogen-bonded Turntrans-70.3143.7166.6-69.3173.4-43.600109.4A204 E222Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.27Å; Q202-E222 WeakPolarHBondContact CG-OE2 3.44Å; Q202-E222 PolarHBondContact NE2-OE2 2.67Å
203G55.5Low56Low52 Ų5282 Ų8254%0.53645%0.45SS..THydrogen-bonded Turntrans7016.7169.700000117Q205 E222G203-Q205 PolarHBondContact O-N 3.09Å; G203-E222 PolarHBondContact N-O 3.14Å
204A64.3Low57.6Low31 Ų3179.5 Ų79.526%0.25643%0.429SS..  trans-59.8107.6-176.800000113.1Q202 Q225Q202-A204 VanDerWaalsContact C-N 3.34Å; Q202-A204 PolarHBondContact O-N 3.27Å; A204-Q225 PolarHBondContact O-N 2.78Å; A204-Q225 VanDerWaalsContact O-N 3.12Å
205Q71.3Confident58.8Low97 Ų9779 Ų7945%0.45342%0.421SS..EExtended strand (participates in β ladder)trans-102.4102.5-178.6-168-16780.500112.5G203 Q207 Q225G203-Q205 PolarHBondContact O-N 3.09Å; Q205-Q207 PolarHBondContact O-N 2.99Å; Q205-Q225 CarbonylContact C-O 3.19Å; Q205-Q225 WeakPolarHBondContact CA-O 3.38Å; Q205-Q225 HydrophobicContact CG-CB 4.39Å; Q205-Q225 WeakPolarHBondContact CG-O 3.21Å
206N72.5Confident60Low19 Ų1975.1 Ų75.110%0.10239%0.394CS..EExtended strand (participates in β ladder)trans-90.6106.8-178.1-57.1-63.4000111.2N216 Q225 N226 Q227N206-N216 HydrophobicContact CB-CB 4.5Å; N206-N216 VanDerWaalsContact CB-ND2 3.29Å; N206-N216 WeakPolarHBondContact CB-ND2 3.48Å; N206-N216 PolarHBondContact O-ND2 3.21Å; N206-Q225 PolarHBondContact N-O 3.29Å; N206-Q225 VanDerWaalsContact N-O 3.13Å; N206-N226 PolarHBondContact ND2-OD1 3.45Å; N206-N226 CarbonylContact O-C 3.12Å; N206-Q227 PolarHBondContact O-N 2.82Å; N206-Q227 VanDerWaalsContact O-O 3.1Å
207Q72.7Confident60.8Low84 Ų8474.7 Ų74.739%0.39339%0.388SS..EExtended strand (participates in β ladder)trans-105.2126.3178.6-89.9-168.673.200114.8Q205 Q227Q205-Q207 PolarHBondContact O-N 2.99Å; Q207-Q227 CarbonylContact C-O 3.41Å; Q207-Q227 VanDerWaalsContact CA-O 3.23Å; Q207-Q227 WeakPolarHBondContact CA-O 3.38Å; Q207-Q227 HydrophobicContact CG-CB 3.48Å; Q207-Q227 VanDerWaalsContact CG-CB 3.48Å
208A67.2Low61.3Low13 Ų1370.1 Ų70.111%0.10737%0.369CS..EExtended strand (participates in β ladder)trans-119.6165.7166.700000112.1V185 Q227 A228V185-A208 HydrophobicContact CG1-CB 3.54Å; V185-A208 HydrophobicContact CG2-CB 4.2Å; A208-Q227 PolarHBondContact N-O 2.93Å; A208-A228 HydrophobicContact CB-CB 3.94Å; A208-A228 WeakPolarHBondContact O-CA 3.47Å; A208-A228 WeakPolarHBondContact O-CB 3.46Å
209K63.2Low61.8Low153 Ų15374.2 Ų74.267%0.66538%0.382SS*.  trans-128.1-28.6-167.1-67.1177.7-176.5171.60116.6
210K55.4Low62Low170 Ų17071 Ų7174%0.73937%0.369SS*.  trans-154.8162.5177.8-71.4-175.5176.9-178.30111.3
211G54.2Low62.7Low11 Ų1163 Ų6311%0.11334%0.338CS..  trans140.8178.4164.800000115.4S187 G231S187-G211 WeakPolarHBondContact CA-O 3.44Å; S187-G211 WeakPolarHBondContact CB-O 3.26Å; S187-G211 PolarHBondContact N-O 2.86Å; S187-G211 CarbonylContact O-C 3.59Å; S187-G211 VanDerWaalsContact O-CA 3.28Å; S187-G211 WeakPolarHBondContact O-CA 3.39Å; S187-G211 PolarHBondContact OG-O 3.45Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3.43Å
212E56.6Low63.1Low107 Ų10766 Ų6650%0.534%0.343SS..SBendtrans-128.586.3-169-47.566.9-139.100116.8S187 K188 A189S187-E212 VanDerWaalsContact CB-C 3.46Å; S187-E212 VanDerWaalsContact CB-CA 3.46Å; K188-E212 VanDerWaalsContact CB-C 3.42Å; K188-E212 WeakPolarHBondContact CB-O 3.47Å; K188-E212 WeakPolarHBondContact CE-O 3.24Å; K188-E212 PolarHBondContact N-O 2.61Å; A189-E212 HydrophobicContact CB-CB 4.36Å; A189-E212 WeakPolarHBondContact CB-OE2 3.44Å
213G57.9Low63.5Low35 Ų3560.2 Ų60.236%0.36133%0.326SS..SBendtrans94.538.9-167.700000125.3K188 E232 G233K188-G213 WeakPolarHBondContact CB-O 3.23Å; K188-G213 WeakPolarHBondContact CG-O 3.45Å; K188-G213 VanDerWaalsContact N-C 3.35Å; K188-G213 VanDerWaalsContact N-N 3.11Å; G213-E232 PolarHBondContact N-O 3.46Å; G213-G233 CarbonylContact C-O 3.58Å; G213-G233 WeakPolarHBondContact CA-O 3.41Å
214A66.5Low64.1Low10 Ų1058.1 Ų58.18%0.08330%0.304CS..  trans-108.2179.9-169.800000116.8S187 Q235S187-A214 VanDerWaalsContact C-N 3.32Å; S187-A214 VanDerWaalsContact CB-N 3.28Å; S187-A214 WeakPolarHBondContact O-CB 3.26Å; A214-Q235 PolarHBondContact O-N 3.39Å
215Q70.2Confident64.6Low71 Ų7158.5 Ų58.533%0.33230%0.3SS..EExtended strand (participates in β ladder)trans-150.4101.3-153.3-161.9-177.565.500114.6Q217 Q235Q215-Q217 VanDerWaalsContact CD-NE2 3.31Å; Q215-Q217 HydrophobicContact CG-CG 4.11Å; Q215-Q235 VanDerWaalsContact CA-O 3.28Å; Q215-Q235 WeakPolarHBondContact CA-O 3.49Å
216N74Confident64.9Low0 Ų053.9 Ų53.90%028%0.278CS..EExtended strand (participates in β ladder)trans-85.8133.2167.4-79.118.3000111V185 S196 N206 N226 Q235 Q237V185-N216 HydrophobicContact CG2-CB 4.01Å; V185-N216 WeakPolarHBondContact CG2-ND2 3.49Å; V185-N216 WeakPolarHBondContact CG2-OD1 3.43Å; S196-N216 PolarHBondContact OG-ND2 3.03Å; S196-N216 PolarHBondContact OG-OD1 3.12Å; N206-N216 HydrophobicContact CB-CB 4.5Å; N206-N216 VanDerWaalsContact CB-ND2 3.29Å; N206-N216 WeakPolarHBondContact CB-ND2 3.48Å; N206-N216 PolarHBondContact O-ND2 3.21Å; N216-N226 HydrophobicContact CB-CB 4.33Å; N216-Q235 PolarHBondContact N-O 3.08Å; N216-Q237 PolarHBondContact O-N 2.91Å
217Q72.3Confident65.1Low25 Ų2554.2 Ų54.212%0.11728%0.28CS..EExtended strand (participates in β ladder)trans-128.7102.4-179.3-61.2-162.735.500113.8S196 Q215 Q237 K239S196-Q217 PolarHBondContact O-N 2.66Å; S196-Q217 VanDerWaalsContact O-N 3.17Å; Q215-Q217 VanDerWaalsContact CD-NE2 3.31Å; Q215-Q217 HydrophobicContact CG-CG 4.11Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.49Å; Q217-K239 VanDerWaalsContact OE1-CE 3.31Å
218G66.5Low65Low8 Ų850.3 Ų50.38%0.08226%0.261CS..EExtended strand (participates in β ladder)trans-80.2115.6170.200000111.5Q237 K239G218-Q237 PolarHBondContact N-O 3.49Å; G218-K239 WeakPolarHBondContact O-CB 3.36Å; G218-K239 PolarHBondContact O-N 3.05Å
219K62.2Low65Low100 Ų10053.1 Ų53.144%0.43527%0.271SS..  trans-87-45.5-170.1-82.2177.5164.4176.60115.3Q197Q197-K219 VanDerWaalsContact OE1-CE 3.23Å
220K54.2Low64.9Low125 Ų12551.9 Ų51.954%0.54327%0.266SS..SBendtrans-158.6129.1175.9-82.4-171176.8-174.20109.5K240K220-K240 WeakPolarHBondContact CA-O 3.39Å; K220-K240 HydrophobicContact CG-CB 4.29Å
221G56.8Low65Low18 Ų1844.6 Ų44.619%0.18624%0.238CC..  trans159.9150.2168.300000113.2G201 K240 G241G201-G221 WeakPolarHBondContact O-CA 3.42Å; G221-K240 PolarHBondContact N-O 3.15Å; G221-G241 WeakPolarHBondContact O-CA 3.5Å
222E58.6Low65.3Low99 Ų9949.9 Ų49.946%0.46326%0.26SS..THydrogen-bonded Turntrans-68.1142.5168.3-63.8155.515100110Q202 G203 A224Q202-E222 WeakPolarHBondContact CG-OE2 3.44Å; Q202-E222 PolarHBondContact NE2-OE2 2.67Å; G203-E222 PolarHBondContact N-O 3.14Å; E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.95Å
223G62Low65.6Low37 Ų3746.5 Ų46.538%0.38126%0.255SS..THydrogen-bonded Turntrans68.319.1171.700000115.6Q225 E242G223-Q225 PolarHBondContact O-N 2.98Å; G223-Q225 VanDerWaalsContact O-N 3.08Å; G223-E242 PolarHBondContact N-O 3.24Å
224A68Low66.2Low8 Ų845.1 Ų45.17%0.06624%0.239CC..  trans-60.9112-179.900000111.7E222 A244 Q245E222-A224 VanDerWaalsContact C-N 3.28Å; E222-A224 PolarHBondContact O-N 2.95Å; A224-A244 WeakPolarHBondContact O-CA 3.35Å; A224-Q245 PolarHBondContact O-N 3.07Å
225Q74.5Confident66.6Low38 Ų3847 Ų4718%0.17825%0.246CC..EExtended strand (participates in β ladder)trans-115.4103.4-175.3-172.9-171.183.700111A204 Q205 N206 G223 Q227 Q245A204-Q225 PolarHBondContact O-N 2.78Å; A204-Q225 VanDerWaalsContact O-N 3.12Å; Q205-Q225 CarbonylContact C-O 3.19Å; Q205-Q225 WeakPolarHBondContact CA-O 3.38Å; Q205-Q225 HydrophobicContact CG-CB 4.39Å; Q205-Q225 WeakPolarHBondContact CG-O 3.21Å; N206-Q225 PolarHBondContact N-O 3.29Å; N206-Q225 VanDerWaalsContact N-O 3.13Å; G223-Q225 PolarHBondContact O-N 2.98Å; G223-Q225 VanDerWaalsContact O-N 3.08Å; Q225-Q227 HydrophobicContact CG-CG 4.26Å; Q225-Q245 WeakPolarHBondContact CA-O 3.33Å; Q225-Q245 HydrophobicContact CB-CB 4.24Å; Q225-Q245 HydrophobicContact CG-CB 3.89Å
226N77Confident67Low0 Ų043.6 Ų43.60%023%0.231CC..EExtended strand (participates in β ladder)trans-76.5146171.6-61-56.4000109.3P184 N206 N216 Q245 N246P184-N226 VanDerWaalsContact CB-C 3.46Å; P184-N226 HydrophobicContact CB-CB 3.68Å; P184-N226 WeakPolarHBondContact CB-O 3.25Å; P184-N226 HydrophobicContact CG-CB 3.89Å; N206-N226 PolarHBondContact ND2-OD1 3.45Å; N206-N226 CarbonylContact O-C 3.12Å; N216-N226 HydrophobicContact CB-CB 4.33Å; N226-Q245 PolarHBondContact N-O 2.62Å; N226-N246 PolarHBondContact ND2-OD1 2.72Å
227Q76.1Confident67.2Low27 Ų2744.5 Ų44.513%0.12624%0.235CC..EExtended strand (participates in β ladder)trans-146.8148.4174.4-79.1-151.126.200114.9V182 P183 V185 N206 Q207 A208 Q225V182-Q227 VanDerWaalsContact O-CD 3.26Å; V182-Q227 PolarHBondContact O-OE1 2.82Å; P183-Q227 VanDerWaalsContact CD-CD 3.46Å; P183-Q227 HydrophobicContact CG-CB 4.49Å; V185-Q227 WeakPolarHBondContact CG2-O 3.44Å; N206-Q227 PolarHBondContact O-N 2.82Å; N206-Q227 VanDerWaalsContact O-O 3.1Å; Q207-Q227 CarbonylContact C-O 3.41Å; Q207-Q227 VanDerWaalsContact CA-O 3.23Å; Q207-Q227 WeakPolarHBondContact CA-O 3.38Å; Q207-Q227 HydrophobicContact CG-CB 3.48Å; Q207-Q227 VanDerWaalsContact CG-CB 3.48Å; A208-Q227 PolarHBondContact N-O 2.93Å; Q225-Q227 HydrophobicContact CG-CG 4.26Å
228A70.8Confident67.2Low1 Ų143.6 Ų43.61%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-178.6154.3171.100000117.2P183 P184 V185 A208P183-A228 WeakPolarHBondContact CB-O 3.46Å; P183-A228 WeakPolarHBondContact CG-O 3.35Å; P184-A228 VanDerWaalsContact CA-N 3.29Å; V185-A228 HydrophobicContact CB-CB 3.62Å; V185-A228 HydrophobicContact CG1-CB 3.62Å; V185-A228 HydrophobicContact CG2-CB 3.32Å; A208-A228 HydrophobicContact CB-CB 3.94Å; A208-A228 WeakPolarHBondContact O-CA 3.47Å; A208-A228 WeakPolarHBondContact O-CB 3.46Å
229K67.3Low67.4Low73 Ų7347 Ų4732%0.31724%0.244SC..  trans-108.1-22.8-149.6-73.7139.7175.5176.30116.7P183 K249P183-K229 HydrophobicContact CG-CG 4.41Å; K229-K249 HydrophobicContact CG-CD 4.11Å
230K61.1Low67.4Low127 Ų12747.6 Ų47.655%0.55225%0.247SC*.  trans-157.3137.7176.2-64.1-174.4-179.6-1750111K250K230-K250 WeakPolarHBondContact CA-O 3.33Å
231G58.1Low67.7Low16 Ų1642.7 Ų42.717%0.16523%0.232CC..  trans159.5149.9163.300000114.7S187 G211 K250 G251S187-G231 WeakPolarHBondContact OG-CA 3.38Å; S187-G231 PolarHBondContact OG-O 2.83Å; G211-G231 VanDerWaalsContact O-CA 3.31Å; G211-G231 WeakPolarHBondContact O-CA 3.43Å; G231-K250 PolarHBondContact N-O 3.18Å; G231-G251 WeakPolarHBondContact O-CA 3.47Å
232E61.2Low68.1Low122 Ų12247.1 Ų47.157%0.5725%0.248SC*.SBendtrans-84.5142175.7-68.5162.2-153.400112S187 G213 E252S187-E232 WeakPolarHBondContact CB-O 3.41Å; S187-E232 PolarHBondContact OG-N 3.41Å; S187-E232 VanDerWaalsContact OG-N 3.1Å; S187-E232 PolarHBondContact OG-O 2.99Å; G213-E232 PolarHBondContact N-O 3.46Å; E232-E252 HydrophobicContact CG-CB 4.45Å
233G61.8Low68.4Low37 Ų3744.2 Ų44.238%0.38124%0.244SC..SBendtrans71.965.8177.600000112.4G213 E252G213-G233 CarbonylContact C-O 3.58Å; G213-G233 WeakPolarHBondContact CA-O 3.41Å; G233-E252 PolarHBondContact N-O 3.19Å
234A70.2Confident68.8Low5 Ų542.7 Ų42.74%0.04123%0.228CC..EExtended strand (participates in β ladder)trans-106.682.7-154.700000114.4V185 N236 G253 A254 Q255V185-A234 CarbonylContact O-C 3.59Å; V185-A234 VanDerWaalsContact O-CA 3.31Å; V185-A234 WeakPolarHBondContact O-CA 3.36Å; A234-N236 PolarHBondContact O-ND2 3.12Å; A234-G253 PolarHBondContact N-O 3.12Å; A234-G253 VanDerWaalsContact N-O 3.09Å; A234-A254 HydrophobicContact CB-CB 3.85Å; A234-A254 CarbonylContact O-C 3.55Å; A234-A254 WeakPolarHBondContact O-CA 3.41Å; A234-Q255 PolarHBondContact O-N 3.46Å
235Q75.6Confident69.3Low49 Ų4944.3 Ų44.323%0.22923%0.234CC..EExtended strand (participates in β ladder)trans-93.9130-171-163.4-175.688.700115.8V185 A214 Q215 N216 Q255V185-Q235 CarbonylContact O-C 3.55Å; V185-Q235 PolarHBondContact O-N 3.39Å; A214-Q235 PolarHBondContact O-N 3.39Å; Q215-Q235 VanDerWaalsContact CA-O 3.28Å; Q215-Q235 WeakPolarHBondContact CA-O 3.49Å; N216-Q235 PolarHBondContact N-O 3.08Å; Q235-Q255 WeakPolarHBondContact CA-O 3.41Å; Q235-Q255 HydrophobicContact CG-CB 4.44Å
236N79.2Confident69.6Low1 Ų142.5 Ų42.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-131.6137.8178.1-57.9-79.1000111.9P184 V185 A234 N246 Q255 N256 Q257P184-N236 HydrophobicContact CB-CB 4.45Å; P184-N236 VanDerWaalsContact CB-OD1 3.3Å; P184-N236 WeakPolarHBondContact CB-OD1 3.35Å; P184-N236 HydrophobicContact CG-CB 3.84Å; P184-N236 WeakPolarHBondContact CG-ND2 3.49Å; V185-N236 WeakPolarHBondContact CB-OD1 3.37Å; V185-N236 WeakPolarHBondContact CG2-OD1 3.44Å; V185-N236 PolarHBondContact N-ND2 2.94Å; V185-N236 PolarHBondContact N-OD1 3.07Å; V185-N236 PolarHBondContact O-ND2 3.35Å; V185-N236 PolarHBondContact O-OD1 3.24Å; A234-N236 PolarHBondContact O-ND2 3.12Å; N236-N246 HydrophobicContact CB-CB 4.38Å; N236-Q255 PolarHBondContact N-O 3.03Å; N236-N256 PolarHBondContact ND2-OD1 3.35Å; N236-N256 VanDerWaalsContact ND2-OD1 3.13Å; N236-Q257 PolarHBondContact O-N 3.47Å
237Q77.7Confident69.6Low19 Ų1942.5 Ų42.59%0.08923%0.226CC..EExtended strand (participates in β ladder)trans-136.4116-177.4-54.1-165.531.600113.5N216 Q217 G218 Q257N216-Q237 PolarHBondContact O-N 2.91Å; Q217-Q237 WeakPolarHBondContact CA-O 3.34Å; Q217-Q237 HydrophobicContact CG-CB 4.49Å; G218-Q237 PolarHBondContact N-O 3.49Å; Q237-Q257 WeakPolarHBondContact CA-O 3.33Å; Q237-Q257 HydrophobicContact CG-CB 4.29Å
238A73.1Confident69.5Low5 Ų541.4 Ų41.44%0.04122%0.222CC..EExtended strand (participates in β ladder)trans-92.3133.6160.300000109.6A244 Q257 K259A238-A244 HydrophobicContact CB-CB 3.75Å; A238-Q257 PolarHBondContact N-O 2.96Å; A238-K259 WeakPolarHBondContact O-CB 3.45Å; A238-K259 PolarHBondContact O-N 3.09Å
239K68.8Low69.4Low79 Ų7945.3 Ų45.334%0.34324%0.239SC..  trans-109.5-27.1-171.7-79.2176.5165.4173.20116.4Q217 G218 K259Q217-K239 VanDerWaalsContact OE1-CE 3.31Å; G218-K239 WeakPolarHBondContact O-CB 3.36Å; G218-K239 PolarHBondContact O-N 3.05Å; K239-K259 CarbonylContact C-O 3.59Å; K239-K259 VanDerWaalsContact O-O 3.04Å
240K62.4Low69.2Low113 Ų11347.7 Ų47.749%0.49125%0.249SC..SBendtrans-162129.3172.2-89.7-160.3174-164.40109.8K220 G221 K260K220-K240 WeakPolarHBondContact CA-O 3.39Å; K220-K240 HydrophobicContact CG-CB 4.29Å; G221-K240 PolarHBondContact N-O 3.15Å; K240-K260 WeakPolarHBondContact CA-O 3.44Å; K240-K260 HydrophobicContact CG-CB 4.38Å
241G62.2Low69.2Low23 Ų2342.9 Ų42.924%0.23724%0.235CC..  trans146.4152.816900000114.1G221 K260 G261G221-G241 WeakPolarHBondContact O-CA 3.5Å; G241-K260 PolarHBondContact N-O 3.33Å; G241-G261 WeakPolarHBondContact O-CA 3.46Å
242E63.5Low69.5Low111 Ų11147.1 Ų47.152%0.51925%0.251SS..THydrogen-bonded Turntrans-77.4151.1175.3-68.3168.2-149.100111.8G223 A244 E262G223-E242 PolarHBondContact N-O 3.24Å; E242-A244 PolarHBondContact O-N 3.1Å; E242-E262 HydrophobicContact CG-CB 4.32Å
243G65.2Low69.6Low37 Ų3742.8 Ų42.838%0.38124%0.239SC..THydrogen-bonded Turntrans67.116.1174.300000115.2Q245 E262G243-Q245 PolarHBondContact O-N 2.95Å; G243-E262 PolarHBondContact N-O 3.4Å
244A71.6Confident70.1Confident6 Ų641.6 Ų41.65%0.0523%0.226CC..  trans-63.1123.8-174.600000112.5A224 A238 E242 G264 Q265A224-A244 WeakPolarHBondContact O-CA 3.35Å; A238-A244 HydrophobicContact CB-CB 3.75Å; E242-A244 PolarHBondContact O-N 3.1Å; A244-G264 WeakPolarHBondContact O-CA 3.47Å; A244-Q265 PolarHBondContact O-N 3.26Å
245Q77.5Confident70.5Confident41 Ų4143.7 Ų43.719%0.19224%0.235CC..EExtended strand (participates in β ladder)trans-112.9123-175.1-86.6-165.3-9.400112.5A224 Q225 N226 G243 Q247 Q265A224-Q245 PolarHBondContact O-N 3.07Å; Q225-Q245 WeakPolarHBondContact CA-O 3.33Å; Q225-Q245 HydrophobicContact CB-CB 4.24Å; Q225-Q245 HydrophobicContact CG-CB 3.89Å; N226-Q245 PolarHBondContact N-O 2.62Å; G243-Q245 PolarHBondContact O-N 2.95Å; Q245-Q247 VanDerWaalsContact CD-NE2 3.33Å; Q245-Q265 HydrophobicContact CG-CB 4.22Å
246N80.1Confident70.8Confident0 Ų041.4 Ų41.40%022%0.224CC..EExtended strand (participates in β ladder)trans-125.7132.4164.3-44.7-74.6000108.5P184 N226 N236 N256 Q265 N266 Q267P184-N246 HydrophobicContact CG-CB 3.74Å; N226-N246 PolarHBondContact ND2-OD1 2.72Å; N236-N246 HydrophobicContact CB-CB 4.38Å; N246-N256 HydrophobicContact CB-CB 4.04Å; N246-Q265 PolarHBondContact N-O 3.16Å; N246-N266 PolarHBondContact ND2-OD1 3.38Å; N246-N266 CarbonylContact O-C 3.19Å; N246-N266 VanDerWaalsContact O-C 3.29Å; N246-N266 WeakPolarHBondContact O-CA 3.4Å; N246-Q267 PolarHBondContact O-N 3.26Å
247Q78.9Confident70.9Confident0 Ų042 Ų420%023%0.227CC..  trans-118.7-118.7174.7-57.4110.522.600116A181 V182 P183 P184 Q245 N256 Q267 A268A181-Q247 VanDerWaalsContact CB-CD 3.46Å; A181-Q247 HydrophobicContact CB-CG 4.22Å; V182-Q247 VanDerWaalsContact CA-CB 3.45Å; V182-Q247 HydrophobicContact CG1-CB 4.31Å; P183-Q247 VanDerWaalsContact C-CA 3.45Å; P183-Q247 VanDerWaalsContact C-N 3.27Å; P183-Q247 WeakPolarHBondContact O-CA 3.49Å; P183-Q247 VanDerWaalsContact O-CB 3.3Å; P183-Q247 WeakPolarHBondContact O-CB 3.11Å; P183-Q247 PolarHBondContact O-N 3.27Å; P183-Q247 PolarHBondContact O-OE1 3.39Å; P184-Q247 WeakPolarHBondContact CD-O 3.4Å; P184-Q247 VanDerWaalsContact N-C 3.31Å; Q245-Q247 VanDerWaalsContact CD-NE2 3.33Å; Q247-N256 PolarHBondContact O-ND2 3.44Å; Q247-Q267 CarbonylContact C-O 3.56Å; Q247-Q267 VanDerWaalsContact CA-C 3.47Å; Q247-Q267 WeakPolarHBondContact CA-O 3.33Å; Q247-Q267 HydrophobicContact CB-CB 3.66Å; Q247-Q267 VanDerWaalsContact CB-O 3.32Å; Q247-Q267 WeakPolarHBondContact CB-O 3.37Å; Q247-Q267 HydrophobicContact CG-CB 3.46Å; Q247-Q267 VanDerWaalsContact CG-CB 3.46Å; Q247-Q267 CarbonylContact O-C 3.54Å; Q247-A268 PolarHBondContact O-N 3.48Å
248G72.1Confident70.8Confident5 Ų541.7 Ų41.75%0.05223%0.228CC..  trans161139.2165.800000110.7V182 Q267 K269V182-G248 WeakPolarHBondContact CG1-O 3.45Å; G248-Q267 PolarHBondContact N-O 3.03Å; G248-Q267 VanDerWaalsContact N-O 3.1Å; G248-K269 WeakPolarHBondContact O-CB 3.47Å; G248-K269 PolarHBondContact O-N 3.24Å
249K69Low70.7Confident82 Ų8244.6 Ų44.636%0.35724%0.239SC..  trans-111.7-46.3-170-106.5-177.1-159.9176.70115.5V182 P183 K229 K269V182-K249 HydrophobicContact CB-CD 4.35Å; V182-K249 HydrophobicContact CB-CG 3.9Å; V182-K249 HydrophobicContact CG1-CG 3.89Å; V182-K249 VanDerWaalsContact CG2-CE 3.43Å; V182-K249 HydrophobicContact CG2-CG 4.47Å; P183-K249 HydrophobicContact CB-CB 3.74Å; P183-K249 HydrophobicContact CB-CD 4.37Å; P183-K249 HydrophobicContact CB-CG 3.85Å; P183-K249 HydrophobicContact CG-CB 3.83Å; P183-K249 HydrophobicContact CG-CD 3.54Å; P183-K249 HydrophobicContact CG-CG 3.59Å; K229-K249 HydrophobicContact CG-CD 4.11Å; K249-K269 CarbonylContact C-O 3.6Å; K249-K269 VanDerWaalsContact O-O 3.09Å
250K64.1Low70.5Confident124 Ų12446.4 Ų46.454%0.53925%0.247SC..SBendtrans-159.9128.6179.5-66.4-167.9179.5-1730109.6K230 G231 K270K230-K250 WeakPolarHBondContact CA-O 3.33Å; G231-K250 PolarHBondContact N-O 3.18Å; K250-K270 WeakPolarHBondContact CA-O 3.48Å
251G61.7Low70.6Confident25 Ų2542.2 Ų42.226%0.25824%0.236SC..  trans140.2152.1169.700000113.8G231 K270 G271G231-G251 WeakPolarHBondContact O-CA 3.47Å; G251-K270 PolarHBondContact N-O 2.91Å; G251-G271 WeakPolarHBondContact O-CA 3.44Å
252E63.1Low70.7Confident105 Ų10546.2 Ų46.249%0.49125%0.249SC..THydrogen-bonded Turntrans-74.7151.5179.6-64.5170.8-152.800112.1E232 G233 A254 E272E232-E252 HydrophobicContact CG-CB 4.45Å; G233-E252 PolarHBondContact N-O 3.19Å; E252-A254 PolarHBondContact O-N 3.12Å; E252-E272 HydrophobicContact CG-CB 4.42Å
253G64.3Low70.7Confident32 Ų3242.4 Ų42.433%0.3324%0.239SC..THydrogen-bonded Turntrans6730.217000000115.4A234 Q255 E272A234-G253 PolarHBondContact N-O 3.12Å; A234-G253 VanDerWaalsContact N-O 3.09Å; G253-Q255 PolarHBondContact O-N 3.31Å; G253-E272 PolarHBondContact N-O 3.19Å
254A72Confident71Confident12 Ų1240.9 Ų40.910%0.09922%0.223CC..EExtended strand (participates in β ladder)trans-67.4114.9178.500000113A234 E252 A274 Q275A234-A254 HydrophobicContact CB-CB 3.85Å; A234-A254 CarbonylContact O-C 3.55Å; A234-A254 WeakPolarHBondContact O-CA 3.41Å; E252-A254 PolarHBondContact O-N 3.12Å; A254-A274 CarbonylContact O-C 3.5Å; A254-A274 WeakPolarHBondContact O-CA 3.33Å; A254-Q275 PolarHBondContact O-N 2.99Å
255Q79.3Confident71.4Confident49 Ų4942 Ų4223%0.22923%0.228CC..EExtended strand (participates in β ladder)trans-115.890.6-173.3-168.3-175.785.500113.1A234 Q235 N236 G253 Q275A234-Q255 PolarHBondContact O-N 3.46Å; Q235-Q255 WeakPolarHBondContact CA-O 3.41Å; Q235-Q255 HydrophobicContact CG-CB 4.44Å; N236-Q255 PolarHBondContact N-O 3.03Å; G253-Q255 PolarHBondContact O-N 3.31Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.23Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CB-CB 4.42Å; Q255-Q275 HydrophobicContact CG-CB 4.07Å
256N81.8Confident71.7Confident1 Ų140.1 Ų40.11%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-87.4138177.5-62.2-55.6000112.7P184 N236 N246 Q247 N266 Q275 N276 Q277P184-N256 WeakPolarHBondContact CD-OD1 3.37Å; N236-N256 PolarHBondContact ND2-OD1 3.35Å; N236-N256 VanDerWaalsContact ND2-OD1 3.13Å; N246-N256 HydrophobicContact CB-CB 4.04Å; Q247-N256 PolarHBondContact O-ND2 3.44Å; N256-N266 HydrophobicContact CB-CB 3.96Å; N256-Q275 PolarHBondContact N-O 3.04Å; N256-N276 PolarHBondContact ND2-OD1 3.02Å; N256-Q277 PolarHBondContact O-N 3.31Å
257Q80.8Confident71.8Confident14 Ų1440.4 Ų40.47%0.06522%0.22CC..EExtended strand (participates in β ladder)trans-134.7121.3176.2-80.8178.670.200112.8N236 Q237 A238 K259 Q277N236-Q257 PolarHBondContact O-N 3.47Å; Q237-Q257 WeakPolarHBondContact CA-O 3.33Å; Q237-Q257 HydrophobicContact CG-CB 4.29Å; A238-Q257 PolarHBondContact N-O 2.96Å; Q257-K259 VanDerWaalsContact OE1-CE 3.31Å; Q257-Q277 WeakPolarHBondContact CA-O 3.48Å; Q257-Q277 HydrophobicContact CG-CB 3.82Å
258A74.6Confident71.6Confident12 Ų1240.6 Ų40.610%0.09922%0.222CC..EExtended strand (participates in β ladder)trans-102.3127.316500000109.5Q277 K279A258-Q277 PolarHBondContact N-O 3.27Å; A258-K279 PolarHBondContact O-N 2.97Å
259K72.4Confident71.7Confident65 Ų6543.3 Ų43.328%0.28323%0.232SC..EExtended strand (participates in β ladder)trans-125.1126.7177.7-60.8166.5177174.40109.2A238 K239 Q257 K279A238-K259 WeakPolarHBondContact O-CB 3.45Å; A238-K259 PolarHBondContact O-N 3.09Å; K239-K259 CarbonylContact C-O 3.59Å; K239-K259 VanDerWaalsContact O-O 3.04Å; Q257-K259 VanDerWaalsContact OE1-CE 3.31Å; K259-K279 WeakPolarHBondContact CA-O 3.34Å; K259-K279 HydrophobicContact CG-CB 4.29Å; K259-K279 HydrophobicContact CG-CD 4.23Å
260K64.7Low71.6Confident117 Ų11745.2 Ų45.251%0.50924%0.241SC..SBendtrans5486.1175.4-71.7-166.2172.9-168.10115.2K240 G241 K279 K280K240-K260 WeakPolarHBondContact CA-O 3.44Å; K240-K260 HydrophobicContact CG-CB 4.38Å; G241-K260 PolarHBondContact N-O 3.33Å; K260-K279 PolarHBondContact N-O 3.33Å; K260-K280 WeakPolarHBondContact CA-O 3.43Å; K260-K280 HydrophobicContact CG-CB 4.45Å; K260-K280 PolarHBondContact N-O 3.38Å
261G63.6Low71.6Confident26 Ų2640.4 Ų40.427%0.26823%0.226SC..  trans169.2159.5169.100000112.4G241 K280 G281G241-G261 WeakPolarHBondContact O-CA 3.46Å; G261-K280 PolarHBondContact N-O 2.99Å; G261-G281 WeakPolarHBondContact O-CA 3.3Å
262E63.9Low71.7Confident106 Ų10644.1 Ų44.150%0.49524%0.237SC..SBendtrans-85.3152.1179.2-56.5-175.7-169.200111.6E242 G243 G264 E282E242-E262 HydrophobicContact CG-CB 4.32Å; G243-E262 PolarHBondContact N-O 3.4Å; E262-G264 VanDerWaalsContact C-N 3.26Å; E262-G264 PolarHBondContact O-N 3.49Å; E262-E282 HydrophobicContact CG-CB 4.33Å
263G64.4Low71.8Confident31 Ų3140.8 Ų40.832%0.3223%0.231SC..SBendtrans68.816.4173.800000115.6Q265 E282G263-Q265 PolarHBondContact O-N 3.46Å; G263-E282 PolarHBondContact N-O 3.36Å
264G71.3Confident72.3Confident5 Ų539.6 Ų39.65%0.05222%0.218CC..  trans-64.9117.7-17500000113.9A244 E262 A284 Q285A244-G264 WeakPolarHBondContact O-CA 3.47Å; E262-G264 VanDerWaalsContact C-N 3.26Å; E262-G264 PolarHBondContact O-N 3.49Å; G264-A284 WeakPolarHBondContact O-CA 3.38Å; G264-Q285 PolarHBondContact O-N 3.03Å
265Q80.8Confident72.7Confident31 Ų3142 Ų4215%0.14523%0.227CC..EExtended strand (participates in β ladder)trans-107.9127.7-176.1-74.4169.46.100112.1A244 Q245 N246 G263 Q285A244-Q265 PolarHBondContact O-N 3.26Å; Q245-Q265 HydrophobicContact CG-CB 4.22Å; N246-Q265 PolarHBondContact N-O 3.16Å; G263-Q265 PolarHBondContact O-N 3.46Å; Q265-Q285 CarbonylContact C-O 2.77Å; Q265-Q285 WeakPolarHBondContact CA-O 3.33Å; Q265-Q285 HydrophobicContact CG-CB 4.13Å
266N83.2Confident73Confident1 Ų139.7 Ų39.71%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-118.9127.4175.1-60.2-55000110N246 N256 N276 Q285 N286 Q287N246-N266 PolarHBondContact ND2-OD1 3.38Å; N246-N266 CarbonylContact O-C 3.19Å; N246-N266 VanDerWaalsContact O-C 3.29Å; N246-N266 WeakPolarHBondContact O-CA 3.4Å; N256-N266 HydrophobicContact CB-CB 3.96Å; N266-N276 HydrophobicContact CB-CB 3.79Å; N266-Q285 PolarHBondContact N-O 3.33Å; N266-N286 WeakPolarHBondContact CB-OD1 3.45Å; N266-N286 PolarHBondContact ND2-OD1 3.18Å; N266-N286 CarbonylContact O-C 3.12Å; N266-N286 VanDerWaalsContact O-CA 3.28Å; N266-N286 WeakPolarHBondContact O-CA 3.43Å; N266-Q287 PolarHBondContact O-N 2.99Å
267Q81.7Confident73Confident5 Ų540.6 Ų40.62%0.02322%0.22CC..  trans-148.965.8-162.7-137.5-159.7105.200117.2V180 A181 N246 Q247 G248 K269 Q287 K289V180-Q267 PolarHBondContact O-NE2 3.3Å; V180-Q267 PolarHBondContact O-OE1 3.08Å; A181-Q267 PolarHBondContact O-OE1 3.09Å; N246-Q267 PolarHBondContact O-N 3.26Å; Q247-Q267 CarbonylContact C-O 3.56Å; Q247-Q267 VanDerWaalsContact CA-C 3.47Å; Q247-Q267 WeakPolarHBondContact CA-O 3.33Å; Q247-Q267 HydrophobicContact CB-CB 3.66Å; Q247-Q267 VanDerWaalsContact CB-O 3.32Å; Q247-Q267 WeakPolarHBondContact CB-O 3.37Å; Q247-Q267 HydrophobicContact CG-CB 3.46Å; Q247-Q267 VanDerWaalsContact CG-CB 3.46Å; Q247-Q267 CarbonylContact O-C 3.54Å; G248-Q267 PolarHBondContact N-O 3.03Å; G248-Q267 VanDerWaalsContact N-O 3.1Å; Q267-K269 VanDerWaalsContact OE1-CE 3.28Å; Q267-Q287 CarbonylContact C-O 3.56Å; Q267-Q287 VanDerWaalsContact CA-O 3.29Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 3.77Å; Q267-Q287 HydrophobicContact CG-CG 4.34Å; Q267-K289 VanDerWaalsContact CD-NZ 3.33Å
268A74.7Confident72.7Confident5 Ų540.1 Ų40.14%0.04122%0.219CC..  trans-64.8134.1178.900000113.8Q247 A274 Q287 K289Q247-A268 PolarHBondContact O-N 3.48Å; A268-A274 HydrophobicContact CB-CB 3.7Å; A268-Q287 PolarHBondContact N-O 3.46Å; A268-Q287 VanDerWaalsContact N-O 3.12Å; A268-K289 PolarHBondContact O-N 2.93Å
269K73.6Confident72.6Confident61 Ų6142.5 Ų42.527%0.26523%0.227SC..BIsolated β-bridgetrans-126.5138.5169.4-46.1-164.8-174.1147.80110.8A181 V182 G248 K249 Q267 K289A181-K269 WeakPolarHBondContact O-CE 3.27Å; A181-K269 PolarHBondContact O-NZ 3.49Å; V182-K269 HydrophobicContact CG1-CB 4.43Å; V182-K269 HydrophobicContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CD 3.49Å; V182-K269 VanDerWaalsContact CG1-CE 3.46Å; V182-K269 HydrophobicContact CG1-CG 3.74Å; G248-K269 WeakPolarHBondContact O-CB 3.47Å; G248-K269 PolarHBondContact O-N 3.24Å; K249-K269 CarbonylContact C-O 3.6Å; K249-K269 VanDerWaalsContact O-O 3.09Å; Q267-K269 VanDerWaalsContact OE1-CE 3.28Å; K269-K289 VanDerWaalsContact CA-O 3.32Å; K269-K289 WeakPolarHBondContact CA-O 3.33Å; K269-K289 HydrophobicContact CB-CB 4.33Å; K269-K289 HydrophobicContact CD-CD 4.04Å; K269-K289 HydrophobicContact CG-CB 4.04Å; K269-K289 HydrophobicContact CG-CD 4.07Å
270K67.2Low72.2Confident123 Ų12345.2 Ų45.254%0.53524%0.239SC..SBendtrans52.186176.3-74.5-161.9169.8-159.30115K250 G251 K289 K290K250-K270 WeakPolarHBondContact CA-O 3.48Å; G251-K270 PolarHBondContact N-O 2.91Å; K270-K289 PolarHBondContact N-O 2.97Å; K270-K290 WeakPolarHBondContact CA-O 3.23Å; K270-K290 HydrophobicContact CG-CB 4.43Å; K270-K290 PolarHBondContact N-O 2.95Å
271G64.1Low72.2Confident22 Ų2240.6 Ų40.623%0.22723%0.225CC..  trans171.2153.4168.900000112G251 K290G251-G271 WeakPolarHBondContact O-CA 3.44Å; G271-K290 PolarHBondContact N-O 3.48Å
272E65.2Low72.2Confident103 Ų10342.5 Ų42.548%0.48123%0.226SC..THydrogen-bonded Turntrans-80.6154.7177-65170.4-149.900111.4E252 G253 A274 E292E252-E272 HydrophobicContact CG-CB 4.42Å; G253-E272 PolarHBondContact N-O 3.19Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.21Å; E272-A274 VanDerWaalsContact O-N 3.16Å; E272-E292 HydrophobicContact CG-CB 4.32Å
273G65.2Low72.4Confident36 Ų3637.9 Ų37.937%0.37121%0.207SC..THydrogen-bonded Turntrans66.817.417200000115.9Q275 E292G273-Q275 PolarHBondContact O-N 3.36Å; G273-E292 PolarHBondContact N-O 3.35Å
274A74Confident72.8Confident7 Ų736.9 Ų36.96%0.05820%0.196CC..  trans-64.1121.3-175.500000113A254 A268 E272 A294 Q295A254-A274 CarbonylContact O-C 3.5Å; A254-A274 WeakPolarHBondContact O-CA 3.33Å; A268-A274 HydrophobicContact CB-CB 3.7Å; E272-A274 VanDerWaalsContact C-N 3.25Å; E272-A274 PolarHBondContact O-N 3.21Å; E272-A274 VanDerWaalsContact O-N 3.16Å; A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; A274-Q295 PolarHBondContact O-N 3.46Å
275Q81.3Confident73.3Confident63 Ų6337.3 Ų37.329%0.29420%0.196SC..EExtended strand (participates in β ladder)trans-109.2120.8180-70-172.20.800112.6A254 Q255 N256 G273 Q295A254-Q275 PolarHBondContact O-N 2.99Å; Q255-Q275 CarbonylContact C-O 3.58Å; Q255-Q275 VanDerWaalsContact CA-O 3.23Å; Q255-Q275 WeakPolarHBondContact CA-O 3.41Å; Q255-Q275 HydrophobicContact CB-CB 4.42Å; Q255-Q275 HydrophobicContact CG-CB 4.07Å; N256-Q275 PolarHBondContact N-O 3.04Å; G273-Q275 PolarHBondContact O-N 3.36Å; Q275-Q295 VanDerWaalsContact CA-O 3.31Å; Q275-Q295 WeakPolarHBondContact CA-O 3.29Å; Q275-Q295 HydrophobicContact CG-CB 4.43Å
276N84.3Confident73.5Confident0 Ų035.8 Ų35.80%019%0.19CC..EExtended strand (participates in β ladder)trans-113.3131.4173.2-61.9-60.8000110.6N256 N266 N286 Q295 N296 Q297N256-N276 PolarHBondContact ND2-OD1 3.02Å; N266-N276 HydrophobicContact CB-CB 3.79Å; N276-N286 HydrophobicContact CB-CB 3.78Å; N276-Q295 PolarHBondContact N-O 3.39Å; N276-N296 WeakPolarHBondContact CB-OD1 3.27Å; N276-N296 PolarHBondContact ND2-OD1 2.99Å; N276-Q297 PolarHBondContact O-N 2.92Å
277Q82Confident73.4Confident20 Ų2036 Ų369%0.09319%0.191CC..EExtended strand (participates in β ladder)trans-134.8106.5-175.9-81.3-17065.300114N256 Q257 A258 Q297N256-Q277 PolarHBondContact O-N 3.31Å; Q257-Q277 WeakPolarHBondContact CA-O 3.48Å; Q257-Q277 HydrophobicContact CG-CB 3.82Å; A258-Q277 PolarHBondContact N-O 3.27Å; Q277-Q297 VanDerWaalsContact CA-O 3.3Å; Q277-Q297 WeakPolarHBondContact CA-O 3.3Å; Q277-Q297 HydrophobicContact CG-CB 4.3Å
278G74.1Confident73.1Confident3 Ų336 Ų363%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-84.9134.7165.700000112.2Q297 K299G278-Q297 PolarHBondContact N-O 2.93Å; G278-K299 PolarHBondContact O-N 3.04Å
279K72.8Confident73Confident63 Ų6338 Ų3827%0.27420%0.2SC..EExtended strand (participates in β ladder)trans-138107.1-176.8-66.8175.1-179.8174.70112.2A258 K259 K260 K299A258-K279 PolarHBondContact O-N 2.97Å; K259-K279 WeakPolarHBondContact CA-O 3.34Å; K259-K279 HydrophobicContact CG-CB 4.29Å; K259-K279 HydrophobicContact CG-CD 4.23Å; K260-K279 PolarHBondContact N-O 3.33Å; K279-K299 WeakPolarHBondContact CA-O 3.41Å; K279-K299 HydrophobicContact CG-CB 4.5Å; K279-K299 HydrophobicContact CG-CD 4.39Å
280K64.8Low72.7Confident122 Ų12240.9 Ų40.953%0.5321%0.212SC..SBendtrans5893.6-176.5-65.8-171.4175.1-170.30113.2K260 G261 K299 K300K260-K280 WeakPolarHBondContact CA-O 3.43Å; K260-K280 HydrophobicContact CG-CB 4.45Å; K260-K280 PolarHBondContact N-O 3.38Å; G261-K280 PolarHBondContact N-O 2.99Å; K280-K299 PolarHBondContact N-O 3.42Å; K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.14Å; K280-K300 HydrophobicContact CG-CD 4.41Å; K280-K300 PolarHBondContact N-O 3.42Å
281G63.7Low72.6Confident20 Ų2036.1 Ų36.121%0.20620%0.198CC..  trans165.3150.6170.800000112.5G261 K300 G301G261-G281 WeakPolarHBondContact O-CA 3.3Å; G281-K300 PolarHBondContact N-O 3.45Å; G281-K300 VanDerWaalsContact N-O 3.17Å; G281-G301 WeakPolarHBondContact O-CA 3.39Å
282E65.2Low72.6Confident65 Ų6539.8 Ų39.830%0.30421%0.209SC..THydrogen-bonded Turntrans-71.5152.7176.9-77.6-156.5-12800113.5K175 E262 G263 A284 E302K175-E282 IonicContact NZ-OE2 2.89Å; K175-E282 PolarHBondContact NZ-OE2 2.57Å; E262-E282 HydrophobicContact CG-CB 4.33Å; G263-E282 PolarHBondContact N-O 3.36Å; E282-A284 PolarHBondContact O-N 3.08Å; E282-A284 VanDerWaalsContact O-N 3.17Å; E282-E302 HydrophobicContact CG-CB 4.34Å
283G66.5Low72.6Confident9 Ų936.6 Ų36.69%0.09320%0.204CC..THydrogen-bonded Turntrans6424.1169.100000114.6Q285 E302G283-Q285 WeakPolarHBondContact O-CG 3.42Å; G283-Q285 PolarHBondContact O-N 3.08Å; G283-E302 PolarHBondContact N-O 2.9Å
284A73.9Confident73.1Confident10 Ų1035.3 Ų35.38%0.08319%0.19CC..  trans-68.9115.7-177.400000111.7G264 E282 A304 Q305G264-A284 WeakPolarHBondContact O-CA 3.38Å; E282-A284 PolarHBondContact O-N 3.08Å; E282-A284 VanDerWaalsContact O-N 3.17Å; A284-A304 HydrophobicContact CB-CB 4.23Å; A284-A304 CarbonylContact O-C 3.57Å; A284-A304 WeakPolarHBondContact O-CA 3.42Å; A284-Q305 PolarHBondContact O-N 2.96Å
285Q81.9Confident73.5Confident14 Ų1437.1 Ų37.17%0.06520%0.197CC..EExtended strand (participates in β ladder)trans-115.6121.2-169.3-74.3164-3.600111.7E176 V177 G264 Q265 N266 G283E176-Q285 HydrophobicContact CG-CG 3.72Å; V177-Q285 VanDerWaalsContact N-NE2 3.2Å; G264-Q285 PolarHBondContact O-N 3.03Å; Q265-Q285 CarbonylContact C-O 2.77Å; Q265-Q285 WeakPolarHBondContact CA-O 3.33Å; Q265-Q285 HydrophobicContact CG-CB 4.13Å; N266-Q285 PolarHBondContact N-O 3.33Å; G283-Q285 WeakPolarHBondContact O-CG 3.42Å; G283-Q285 PolarHBondContact O-N 3.08Å
286N84Confident73.6Confident0 Ų034.1 Ų34.10%018%0.183CC..EExtended strand (participates in β ladder)trans-118.2114.3-177.9-53.4-69.1000110.3N266 N276 N296 Q305 N306 Q307N266-N286 WeakPolarHBondContact CB-OD1 3.45Å; N266-N286 PolarHBondContact ND2-OD1 3.18Å; N266-N286 CarbonylContact O-C 3.12Å; N266-N286 VanDerWaalsContact O-CA 3.28Å; N266-N286 WeakPolarHBondContact O-CA 3.43Å; N276-N286 HydrophobicContact CB-CB 3.78Å; N286-N296 HydrophobicContact CB-CB 3.85Å; N286-Q305 PolarHBondContact N-O 2.93Å; N286-Q305 PolarHBondContact ND2-O 2.91Å; N286-N306 PolarHBondContact ND2-OD1 3.26Å; N286-N306 CarbonylContact O-C 3.43Å; N286-N306 WeakPolarHBondContact O-CA 3.21Å; N286-Q307 PolarHBondContact O-N 3.47Å
287Q82.2Confident73.5Confident6 Ų635 Ų353%0.02819%0.187CC..EExtended strand (participates in β ladder)trans-119.1126175.6-49.8-173.5700112.7E176 P178 N266 Q267 A268 Q307E176-Q287 PolarHBondContact OE1-NE2 3.44Å; P178-Q287 PolarHBondContact O-NE2 3.03Å; N266-Q287 PolarHBondContact O-N 2.99Å; Q267-Q287 CarbonylContact C-O 3.56Å; Q267-Q287 VanDerWaalsContact CA-O 3.29Å; Q267-Q287 WeakPolarHBondContact CA-O 3.45Å; Q267-Q287 HydrophobicContact CG-CB 3.77Å; Q267-Q287 HydrophobicContact CG-CG 4.34Å; A268-Q287 PolarHBondContact N-O 3.46Å; A268-Q287 VanDerWaalsContact N-O 3.12Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.27Å; Q287-Q307 WeakPolarHBondContact CA-O 3.31Å; Q287-Q307 HydrophobicContact CB-CB 4.44Å; Q287-Q307 HydrophobicContact CG-CB 4.02Å
288G73.8Confident73.3Confident5 Ų534.3 Ų34.35%0.05219%0.185CC..EExtended strand (participates in β ladder)trans-101.9132.7167.800000111.2Q307 K309G288-Q307 PolarHBondContact N-O 3.49Å; G288-K309 PolarHBondContact O-N 3.11Å
289K73.6Confident73.3Confident46 Ų4637.6 Ų37.620%0.220%0.198CC..EExtended strand (participates in β ladder)trans-133.8106.9-173.9-66.6169.8-179.2172.50111.9Q267 A268 K269 K270 K309Q267-K289 VanDerWaalsContact CD-NZ 3.33Å; A268-K289 PolarHBondContact O-N 2.93Å; K269-K289 VanDerWaalsContact CA-O 3.32Å; K269-K289 WeakPolarHBondContact CA-O 3.33Å; K269-K289 HydrophobicContact CB-CB 4.33Å; K269-K289 HydrophobicContact CD-CD 4.04Å; K269-K289 HydrophobicContact CG-CB 4.04Å; K269-K289 HydrophobicContact CG-CD 4.07Å; K270-K289 PolarHBondContact N-O 2.97Å; K289-K309 HydrophobicContact CG-CB 4.37Å; K289-K309 HydrophobicContact CG-CD 4.25Å
290K67.3Low73Confident122 Ų12240.2 Ų40.253%0.5321%0.209SC..SBendtrans59.9100.9-174.7-62.2-172175.8-170.70113.5K270 G271 K309 K310K270-K290 WeakPolarHBondContact CA-O 3.23Å; K270-K290 HydrophobicContact CG-CB 4.43Å; K270-K290 PolarHBondContact N-O 2.95Å; G271-K290 PolarHBondContact N-O 3.48Å; K290-K309 PolarHBondContact N-O 2.65Å; K290-K310 WeakPolarHBondContact CA-O 3.38Å; K290-K310 HydrophobicContact CG-CB 4.29Å; K290-K310 PolarHBondContact N-O 2.96Å
291G64.4Low72.9Confident23 Ų2335.4 Ų35.424%0.23719%0.194CC..  trans158.5153.4171.300000112K310 G311G291-K310 PolarHBondContact N-O 3.31Å; G291-G311 WeakPolarHBondContact O-CA 3.49Å
292E65.2Low73.1Confident99 Ų9938.3 Ų38.346%0.46320%0.203SC..THydrogen-bonded Turntrans-81.3155-179.3-63.6172.8-149.200112E272 G273 A294 E312E272-E292 HydrophobicContact CG-CB 4.32Å; G273-E292 PolarHBondContact N-O 3.35Å; E292-A294 PolarHBondContact O-N 3.47Å; E292-A294 VanDerWaalsContact O-N 3.16Å; E292-E312 HydrophobicContact CG-CB 4.37Å
293G65.5Low73.1Confident36 Ų3635.2 Ų35.237%0.37119%0.188SC..THydrogen-bonded Turntrans67.416.2172.500000115.6Q295 E312G293-Q295 PolarHBondContact O-N 3.2Å; G293-Q295 VanDerWaalsContact O-N 3.11Å; G293-E312 PolarHBondContact N-O 3.04Å
294A74Confident73.5Confident9 Ų935 Ų357%0.07419%0.186CC..  trans-60113.9-17700000112.1A274 E292 Q315A274-A294 CarbonylContact O-C 3.55Å; A274-A294 WeakPolarHBondContact O-CA 3.37Å; E292-A294 PolarHBondContact O-N 3.47Å; E292-A294 VanDerWaalsContact O-N 3.16Å; A294-Q315 PolarHBondContact O-N 3.2Å
295Q82.5Confident73.9Confident44 Ų4434.6 Ų34.621%0.20618%0.182CC..EExtended strand (participates in β ladder)trans-115.2106.9-174.5-170.8-174.395.600112.5A274 Q275 N276 G293 Q297 Q315A274-Q295 PolarHBondContact O-N 3.46Å; Q275-Q295 VanDerWaalsContact CA-O 3.31Å; Q275-Q295 WeakPolarHBondContact CA-O 3.29Å; Q275-Q295 HydrophobicContact CG-CB 4.43Å; N276-Q295 PolarHBondContact N-O 3.39Å; G293-Q295 PolarHBondContact O-N 3.2Å; G293-Q295 VanDerWaalsContact O-N 3.11Å; Q295-Q297 HydrophobicContact CG-CG 4.43Å; Q295-Q315 CarbonylContact C-O 3.55Å; Q295-Q315 VanDerWaalsContact CA-O 3.29Å; Q295-Q315 WeakPolarHBondContact CA-O 3.33Å; Q295-Q315 HydrophobicContact CB-CB 4.36Å; Q295-Q315 HydrophobicContact CG-CB 3.98Å
296N84.3Confident74Confident0 Ų033.9 Ų33.90%018%0.179CC..EExtended strand (participates in β ladder)trans-101.3131.3177.9-57.8-58000110.7N276 N286 N306 Q315 N316 Q317N276-N296 WeakPolarHBondContact CB-OD1 3.27Å; N276-N296 PolarHBondContact ND2-OD1 2.99Å; N286-N296 HydrophobicContact CB-CB 3.85Å; N296-N306 HydrophobicContact CB-CB 3.76Å; N296-N306 WeakPolarHBondContact CB-OD1 3.32Å; N296-Q315 PolarHBondContact N-O 3.05Å; N296-N316 PolarHBondContact ND2-OD1 3.44Å; N296-N316 CarbonylContact O-C 3.55Å; N296-Q317 PolarHBondContact O-N 3.39Å
297Q82.8Confident73.9Confident19 Ų1934.6 Ų34.69%0.08918%0.182CC..EExtended strand (participates in β ladder)trans-134.5130.4174-47.7-171.32600113.1N276 Q277 G278 Q295 K299 Q317N276-Q297 PolarHBondContact O-N 2.92Å; Q277-Q297 VanDerWaalsContact CA-O 3.3Å; Q277-Q297 WeakPolarHBondContact CA-O 3.3Å; Q277-Q297 HydrophobicContact CG-CB 4.3Å; G278-Q297 PolarHBondContact N-O 2.93Å; Q295-Q297 HydrophobicContact CG-CG 4.43Å; Q297-K299 VanDerWaalsContact OE1-CE 3.31Å; Q297-Q317 VanDerWaalsContact CA-O 3.3Å; Q297-Q317 WeakPolarHBondContact CA-O 3.48Å; Q297-Q317 HydrophobicContact CG-CB 4.28Å
298A76.6Confident73.7Confident5 Ų534.7 Ų34.74%0.04118%0.184CC..EExtended strand (participates in β ladder)trans-105.7137.1166.700000110.8A304 Q317 K319A298-A304 HydrophobicContact CB-CB 3.51Å; A298-Q317 PolarHBondContact N-O 3.43Å; A298-K319 WeakPolarHBondContact O-CB 3.39Å; A298-K319 PolarHBondContact O-N 3.49Å
299K73.5Confident73.8Confident72 Ų7237.5 Ų37.531%0.31320%0.195SC..EExtended strand (participates in β ladder)trans-134.6105.4-177.8-66.9169.1-178.7168.10110.7G278 K279 K280 Q297 K319G278-K299 PolarHBondContact O-N 3.04Å; K279-K299 WeakPolarHBondContact CA-O 3.41Å; K279-K299 HydrophobicContact CG-CB 4.5Å; K279-K299 HydrophobicContact CG-CD 4.39Å; K280-K299 PolarHBondContact N-O 3.42Å; Q297-K299 VanDerWaalsContact OE1-CE 3.31Å; K299-K319 WeakPolarHBondContact CA-O 3.37Å; K299-K319 HydrophobicContact CG-CB 4.45Å; K299-K319 HydrophobicContact CG-CD 4.22Å
300K66.7Low73.5Confident118 Ų11841 Ų4151%0.51321%0.21SC..SBendtrans62.7108.9-172.4-72.2-162.3166.6-149.40114.2K280 G281 K319 K320K280-K300 WeakPolarHBondContact CA-O 3.22Å; K280-K300 HydrophobicContact CG-CB 4.14Å; K280-K300 HydrophobicContact CG-CD 4.41Å; K280-K300 PolarHBondContact N-O 3.42Å; G281-K300 PolarHBondContact N-O 3.45Å; G281-K300 VanDerWaalsContact N-O 3.17Å; K300-K319 PolarHBondContact N-O 3.17Å; K300-K320 WeakPolarHBondContact CA-O 3.46Å; K300-K320 HydrophobicContact CG-CB 4.22Å; K300-K320 PolarHBondContact N-O 2.89Å
301G63.5Low73.4Confident21 Ų2136.4 Ų36.422%0.21620%0.197CC..  trans153.6148.7172.300000112.4G281 K320G281-G301 WeakPolarHBondContact O-CA 3.39Å; G301-K320 PolarHBondContact N-O 3.13Å
302E66.9Low73.5Confident82 Ų8239.8 Ų39.838%0.38321%0.206SC..THydrogen-bonded Turntrans-83.4146.6179.3-71.5154.1-131.400112.3E282 G283 A304 E322E282-E302 HydrophobicContact CG-CB 4.34Å; G283-E302 PolarHBondContact N-O 2.9Å; E302-A304 PolarHBondContact O-N 3.33Å; E302-E322 HydrophobicContact CG-CB 4.34Å
303G66.7Low73.6Confident0 Ų036.6 Ų36.60%020%0.201CC..THydrogen-bonded Turntrans56.734.4-179.800000113.8Q305 E322G303-Q305 PolarHBondContact O-OE1 3.36Å; G303-E322 PolarHBondContact N-O 3.07Å
304A74Confident74Confident5 Ų535.1 Ų35.14%0.04119%0.185CC..  trans-86.9129.5-178.200000111.9A284 A298 E302 A324A284-A304 HydrophobicContact CB-CB 4.23Å; A284-A304 CarbonylContact O-C 3.57Å; A284-A304 WeakPolarHBondContact O-CA 3.42Å; A298-A304 HydrophobicContact CB-CB 3.51Å; E302-A304 PolarHBondContact O-N 3.33Å; A304-A324 WeakPolarHBondContact O-CA 3.35Å
305Q82.6Confident74.4Confident0 Ų037.5 Ų37.50%019%0.194CC..EExtended strand (participates in β ladder)trans-138.6151.2-156.2-71174.1-72.300114.9K175 E176 A284 N286 G303 Q325K175-Q305 VanDerWaalsContact C-CD 3.42Å; K175-Q305 PolarHBondContact O-NE2 2.73Å; K175-Q305 PolarHBondContact O-OE1 2.96Å; E176-Q305 VanDerWaalsContact CB-OE1 3.25Å; E176-Q305 HydrophobicContact CG-CB 4.02Å; E176-Q305 VanDerWaalsContact N-CD 3.35Å; A284-Q305 PolarHBondContact O-N 2.96Å; N286-Q305 PolarHBondContact N-O 2.93Å; N286-Q305 PolarHBondContact ND2-O 2.91Å; G303-Q305 PolarHBondContact O-OE1 3.36Å; Q305-Q325 WeakPolarHBondContact CA-O 3.38Å; Q305-Q325 HydrophobicContact CG-CB 3.67Å
306N83.9Confident74.5Confident0 Ų035.4 Ų35.40%018%0.184CC..EExtended strand (participates in β ladder)trans-140.2113.6-167-55.4-62.9000110.4N286 N296 N316 Q325 N326 Q327N286-N306 PolarHBondContact ND2-OD1 3.26Å; N286-N306 CarbonylContact O-C 3.43Å; N286-N306 WeakPolarHBondContact O-CA 3.21Å; N296-N306 HydrophobicContact CB-CB 3.76Å; N296-N306 WeakPolarHBondContact CB-OD1 3.32Å; N306-N316 HydrophobicContact CB-CB 3.74Å; N306-N316 WeakPolarHBondContact CB-OD1 3.46Å; N306-Q325 PolarHBondContact N-O 3.13Å; N306-N326 PolarHBondContact ND2-OD1 2.84Å; N306-N326 WeakPolarHBondContact O-CA 3.49Å; N306-Q327 PolarHBondContact O-N 3.09Å
307Q82.9Confident74.4Confident15 Ų1536.3 Ų36.37%0.0719%0.189CC..EExtended strand (participates in β ladder)trans-121.4112.9-177-110.8-170.398.100112.1E176 N286 Q287 G288 Q327E176-Q307 PolarHBondContact OE1-NE2 3.37Å; E176-Q307 PolarHBondContact OE2-NE2 3.47Å; N286-Q307 PolarHBondContact O-N 3.47Å; Q287-Q307 CarbonylContact C-O 3.6Å; Q287-Q307 VanDerWaalsContact CA-O 3.27Å; Q287-Q307 WeakPolarHBondContact CA-O 3.31Å; Q287-Q307 HydrophobicContact CB-CB 4.44Å; Q287-Q307 HydrophobicContact CG-CB 4.02Å; G288-Q307 PolarHBondContact N-O 3.49Å; Q307-Q327 WeakPolarHBondContact CA-O 3.4Å; Q307-Q327 HydrophobicContact CG-CB 3.9Å; Q307-Q327 HydrophobicContact CG-CG 4.49Å
308A76.4Confident73.9Confident8 Ų835.6 Ų35.67%0.06619%0.186CC..EExtended strand (participates in β ladder)trans-98.7127.1171.200000110.8A314 Q327 K329A308-A314 HydrophobicContact CB-CB 3.64Å; A308-Q327 PolarHBondContact N-O 3.07Å; A308-K329 PolarHBondContact O-N 3.48Å
309K75.7Confident73.7Confident63 Ų6338 Ų3827%0.27420%0.196SC..EExtended strand (participates in β ladder)trans-128.5104.6-176.1-68.6168-177.4163.60110.4G288 K289 K290 K329G288-K309 PolarHBondContact O-N 3.11Å; K289-K309 HydrophobicContact CG-CB 4.37Å; K289-K309 HydrophobicContact CG-CD 4.25Å; K290-K309 PolarHBondContact N-O 2.65Å; K309-K329 HydrophobicContact CG-CD 4.37Å
310K68.8Low73.3Confident121 Ų12140.2 Ų40.253%0.52621%0.205SC..SBendtrans59.8111.3-172.2-65.8-167.2173.1-1620114K290 G291 K329 K330K290-K310 WeakPolarHBondContact CA-O 3.38Å; K290-K310 HydrophobicContact CG-CB 4.29Å; K290-K310 PolarHBondContact N-O 2.96Å; G291-K310 PolarHBondContact N-O 3.31Å; K310-K329 PolarHBondContact N-O 3Å; K310-K330 VanDerWaalsContact CA-O 3.23Å; K310-K330 WeakPolarHBondContact CA-O 3.47Å; K310-K330 HydrophobicContact CG-CB 4.39Å; K310-K330 PolarHBondContact N-O 3.32Å
311G64.4Low73.2Confident24 Ų2435.7 Ų35.725%0.24719%0.192CC..  trans152.4151.4172.600000112.2G291 K330G291-G311 WeakPolarHBondContact O-CA 3.49Å; G311-K330 PolarHBondContact N-O 3.21Å
312E66.8Low73.2Confident94 Ų9438.5 Ų38.544%0.43920%0.2SC..SBendtrans-86.3158.4-179-66.5165.2-142.300111.8E292 G293 A314 E332E292-E312 HydrophobicContact CG-CB 4.37Å; G293-E312 PolarHBondContact N-O 3.04Å; E312-A314 PolarHBondContact O-N 3.3Å; E312-A314 VanDerWaalsContact O-N 3.14Å; E312-E332 HydrophobicContact CG-CB 4.28Å
313G66.6Low73.2Confident33 Ų3335 Ų3534%0.3419%0.185SC..SBendtrans66.116.5174.400000115.4Q315 E332G313-Q315 PolarHBondContact O-N 3.03Å; G313-E332 PolarHBondContact N-O 3.38Å
314A74.3Confident73.5Confident5 Ų535.5 Ų35.54%0.04119%0.189CC..  trans-62121-173.200000113.1A308 E312 Q335A308-A314 HydrophobicContact CB-CB 3.64Å; E312-A314 PolarHBondContact O-N 3.3Å; E312-A314 VanDerWaalsContact O-N 3.14Å; A314-Q335 PolarHBondContact O-N 3.13Å
315Q82.5Confident73.9Confident58 Ų5836.7 Ų36.727%0.27119%0.194SC..EExtended strand (participates in β ladder)trans-114.1114.6-177.2-71.1-166.93.800112.8A294 Q295 N296 G313 Q335A294-Q315 PolarHBondContact O-N 3.2Å; Q295-Q315 CarbonylContact C-O 3.55Å; Q295-Q315 VanDerWaalsContact CA-O 3.29Å; Q295-Q315 WeakPolarHBondContact CA-O 3.33Å; Q295-Q315 HydrophobicContact CB-CB 4.36Å; Q295-Q315 HydrophobicContact CG-CB 3.98Å; N296-Q315 PolarHBondContact N-O 3.05Å; G313-Q315 PolarHBondContact O-N 3.03Å; Q315-Q335 WeakPolarHBondContact CA-O 3.49Å; Q315-Q335 HydrophobicContact CG-CB 4.34Å
316N84.2Confident73.9Confident0 Ų036.7 Ų36.70%019%0.194CC..EExtended strand (participates in β ladder)trans-110.9128176.3-61.1-50.4000111N296 N306 N326 S328 Q335 N336 Q337N296-N316 PolarHBondContact ND2-OD1 3.44Å; N296-N316 CarbonylContact O-C 3.55Å; N306-N316 HydrophobicContact CB-CB 3.74Å; N306-N316 WeakPolarHBondContact CB-OD1 3.46Å; N316-N326 HydrophobicContact CB-CB 3.81Å; N316-S328 PolarHBondContact ND2-OG 3.38Å; N316-Q335 PolarHBondContact N-O 3.28Å; N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 3.15Å; N316-Q337 PolarHBondContact O-N 3.33Å
317Q82Confident73.8Confident20 Ų2037.6 Ų37.69%0.09320%0.198CC..EExtended strand (participates in β ladder)trans-133.7109.8179.3-52.3-165.527.600114.5N296 Q297 A298 Q337N296-Q317 PolarHBondContact O-N 3.39Å; Q297-Q317 VanDerWaalsContact CA-O 3.3Å; Q297-Q317 WeakPolarHBondContact CA-O 3.48Å; Q297-Q317 HydrophobicContact CG-CB 4.28Å; A298-Q317 PolarHBondContact N-O 3.43Å; Q317-Q337 CarbonylContact C-O 3.27Å; Q317-Q337 VanDerWaalsContact CA-O 3.31Å; Q317-Q337 WeakPolarHBondContact CA-O 3.41Å; Q317-Q337 HydrophobicContact CG-CB 4.3Å
318G73.6Confident73.5Confident3 Ų337.2 Ų37.23%0.03120%0.198CC..EExtended strand (participates in β ladder)trans-85.9133.616500000111.7Q337 K339G318-Q337 PolarHBondContact N-O 3.4Å; G318-K339 WeakPolarHBondContact O-CB 3.25Å; G318-K339 PolarHBondContact O-N 3.38Å
319K72.1Confident73.4Confident57 Ų5740.1 Ų40.125%0.24821%0.209CC..EExtended strand (participates in β ladder)trans-137.4111.4-177.9-63169-178.4170.30111.9A298 K299 K300 K339A298-K319 WeakPolarHBondContact O-CB 3.39Å; A298-K319 PolarHBondContact O-N 3.49Å; K299-K319 WeakPolarHBondContact CA-O 3.37Å; K299-K319 HydrophobicContact CG-CB 4.45Å; K299-K319 HydrophobicContact CG-CD 4.22Å; K300-K319 PolarHBondContact N-O 3.17Å; K319-K339 WeakPolarHBondContact CA-O 3.29Å; K319-K339 HydrophobicContact CG-CB 4.38Å; K319-K339 HydrophobicContact CG-CD 4.17Å
320K65.2Low73.1Confident118 Ų11842.7 Ų42.751%0.51322%0.22SC..SBendtrans60.394.1-177.5-66.7-168.3174.8-168.10113.4K300 G301 K339 K340K300-K320 WeakPolarHBondContact CA-O 3.46Å; K300-K320 HydrophobicContact CG-CB 4.22Å; K300-K320 PolarHBondContact N-O 2.89Å; G301-K320 PolarHBondContact N-O 3.13Å; K320-K339 PolarHBondContact N-O 3.04Å; K320-K340 WeakPolarHBondContact CA-O 3.48Å; K320-K340 HydrophobicContact CG-CB 4.33Å; K320-K340 PolarHBondContact N-O 3.25Å
321G63.3Low72.8Confident23 Ų2338 Ų3824%0.23721%0.206CC..  trans156.4152.1172.800000112K340G321-K340 PolarHBondContact N-O 3.16Å
322E65.3Low72.9Confident80 Ų8041.4 Ų41.437%0.37422%0.215SC..SBendtrans-76.4159.4-179.8-68151.1-133.600112.4E302 G303 A324 E342E302-E322 HydrophobicContact CG-CB 4.34Å; G303-E322 PolarHBondContact N-O 3.07Å; E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 3.2Å; E322-E342 HydrophobicContact CG-CB 4.28Å
323G65.7Low72.9Confident7 Ų738.5 Ų38.57%0.07221%0.211CC..SBendtrans67.920.1170.700000115.3Q325 E342G323-Q325 PolarHBondContact O-N 3.43Å; G323-E342 PolarHBondContact N-O 3.48Å
324A73.1Confident73.2Confident11 Ų1137.1 Ų37.19%0.09120%0.196CC..  trans-67.9102.8-174.700000112.6A304 E322 Q345A304-A324 WeakPolarHBondContact O-CA 3.35Å; E322-A324 VanDerWaalsContact C-N 3.27Å; E322-A324 PolarHBondContact O-N 3.2Å; A324-Q345 PolarHBondContact O-N 2.89Å; A324-Q345 VanDerWaalsContact O-N 3.12Å
325Q81.9Confident73.6Confident30 Ų3040.1 Ų40.114%0.1421%0.209CC..EExtended strand (participates in β ladder)trans-99.4123.8-179.5-132.5-1614200112.3Q305 N306 G323 Q345Q305-Q325 WeakPolarHBondContact CA-O 3.38Å; Q305-Q325 HydrophobicContact CG-CB 3.67Å; N306-Q325 PolarHBondContact N-O 3.13Å; G323-Q325 PolarHBondContact O-N 3.43Å; Q325-Q345 WeakPolarHBondContact CA-O 3.47Å; Q325-Q345 HydrophobicContact CG-CB 3.75Å; Q325-Q345 HydrophobicContact CG-CG 4.44Å
326N82.9Confident73.5Confident0 Ų037.4 Ų37.40%020%0.197CC..EExtended strand (participates in β ladder)trans-116.5124.3174.9-54.7-63.1000109.8N306 N316 N336 Q345 N346 Q347N306-N326 PolarHBondContact ND2-OD1 2.84Å; N306-N326 WeakPolarHBondContact O-CA 3.49Å; N316-N326 HydrophobicContact CB-CB 3.81Å; N326-N336 HydrophobicContact CB-CB 3.92Å; N326-N336 WeakPolarHBondContact CB-OD1 3.23Å; N326-Q345 PolarHBondContact N-O 3.05Å; N326-N346 PolarHBondContact ND2-OD1 3Å; N326-N346 CarbonylContact O-C 3.49Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N326-Q347 PolarHBondContact O-N 3.3Å
327Q82.1Confident73.4Confident19 Ų1938.4 Ų38.49%0.08920%0.201CC..EExtended strand (participates in β ladder)trans-130.3128.1177.6-56.3-16936.700112.5N306 Q307 A308 Q347N306-Q327 PolarHBondContact O-N 3.09Å; Q307-Q327 WeakPolarHBondContact CA-O 3.4Å; Q307-Q327 HydrophobicContact CG-CB 3.9Å; Q307-Q327 HydrophobicContact CG-CG 4.49Å; A308-Q327 PolarHBondContact N-O 3.07Å; Q327-Q347 WeakPolarHBondContact CA-O 3.48Å; Q327-Q347 HydrophobicContact CG-CB 4.3Å
328S76.6Confident73Confident8 Ų837.9 Ų37.96%0.05620%0.201CC..EExtended strand (participates in β ladder)trans-114.1127.2171.1-57.50000110.4N316 N336 Q347 K349N316-S328 PolarHBondContact ND2-OG 3.38Å; S328-N336 PolarHBondContact OG-OD1 3.4Å; S328-Q347 PolarHBondContact N-O 3.39Å; S328-K349 PolarHBondContact O-N 3.08Å
329K75.1Confident72.9Confident68 Ų6840.4 Ų40.430%0.29621%0.211SC..EExtended strand (participates in β ladder)trans-125.6106.2-173.2-69.2170.1-180170.40110.6A308 K309 K310 K349A308-K329 PolarHBondContact O-N 3.48Å; K309-K329 HydrophobicContact CG-CD 4.37Å; K310-K329 PolarHBondContact N-O 3Å; K329-K349 HydrophobicContact CG-CB 4.23Å; K329-K349 HydrophobicContact CG-CD 4.07Å
330K68.2Low72.6Confident118 Ų11843.3 Ų43.351%0.51322%0.223SC..SBendtrans58.7110.3-172.7-63.3-171.6176-169.40113.9K310 G311 K349 K350K310-K330 VanDerWaalsContact CA-O 3.23Å; K310-K330 WeakPolarHBondContact CA-O 3.47Å; K310-K330 HydrophobicContact CG-CB 4.39Å; K310-K330 PolarHBondContact N-O 3.32Å; G311-K330 PolarHBondContact N-O 3.21Å; K330-K349 PolarHBondContact N-O 3Å; K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.41Å; K330-K350 HydrophobicContact CG-CB 4.37Å; K330-K350 PolarHBondContact N-O 3.04Å
331G63.6Low72.5Confident23 Ų2338.9 Ų38.924%0.23721%0.211CC..  trans152.7153.1171.800000111.9K350 G351G331-K350 PolarHBondContact N-O 2.77Å; G331-G351 WeakPolarHBondContact O-CA 3.32Å
332E66.2Low72.5Confident94 Ų9442.4 Ų42.444%0.43922%0.222SC..SBendtrans-86.6158.9-176.2-66.2159.4-139.200112.3E312 G313 A334 E352E312-E332 HydrophobicContact CG-CB 4.28Å; G313-E332 PolarHBondContact N-O 3.38Å; E332-A334 VanDerWaalsContact C-N 3.25Å; E332-A334 PolarHBondContact O-N 3.12Å; E332-E352 HydrophobicContact CG-CB 4.31Å
333G65.6Low72.4Confident33 Ų3340.1 Ų40.134%0.3422%0.22SC..SBendtrans66.420.2173.500000115.3Q335 E352G333-Q335 PolarHBondContact O-N 3.44Å; G333-E352 PolarHBondContact N-O 3.24Å
334A73.7Confident72.5Confident5 Ų540 Ų404%0.04122%0.218CC..  trans-65.1117.2-173.700000113E332 Q355E332-A334 VanDerWaalsContact C-N 3.25Å; E332-A334 PolarHBondContact O-N 3.12Å; A334-Q355 PolarHBondContact O-N 2.92Å
335Q81.8Confident72.7Confident67 Ų6742 Ų4231%0.31323%0.226SC..EExtended strand (participates in β ladder)trans-109.8117.8179-62.6-1695.800112.8A314 Q315 N316 G333 Q355A314-Q335 PolarHBondContact O-N 3.13Å; Q315-Q335 WeakPolarHBondContact CA-O 3.49Å; Q315-Q335 HydrophobicContact CG-CB 4.34Å; N316-Q335 PolarHBondContact N-O 3.28Å; G333-Q335 PolarHBondContact O-N 3.44Å; Q335-Q355 WeakPolarHBondContact CA-O 3.49Å; Q335-Q355 HydrophobicContact CG-CB 4.49Å
336N82.2Confident72.6Confident1 Ų140.6 Ų40.61%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-111.5130.7174.7-61.1-58.3000110.9N316 N326 S328 N346 Q355 N356 Q357N316-N336 WeakPolarHBondContact CB-OD1 3.36Å; N316-N336 PolarHBondContact ND2-OD1 3.15Å; N326-N336 HydrophobicContact CB-CB 3.92Å; N326-N336 WeakPolarHBondContact CB-OD1 3.23Å; S328-N336 PolarHBondContact OG-OD1 3.4Å; N336-N346 HydrophobicContact CB-CB 3.82Å; N336-N346 WeakPolarHBondContact CB-OD1 3.46Å; N336-Q355 PolarHBondContact N-O 3.46Å; N336-N356 WeakPolarHBondContact CB-OD1 3.3Å; N336-N356 PolarHBondContact ND2-OD1 3.06Å; N336-N356 CarbonylContact O-C 3.59Å; N336-Q357 PolarHBondContact O-N 3.45Å
337Q80.2Confident72.3Confident21 Ų2141.8 Ų41.810%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-134.7112.8179.9-72.4-173.557.300113.4N316 Q317 G318 Q357N316-Q337 PolarHBondContact O-N 3.33Å; Q317-Q337 CarbonylContact C-O 3.27Å; Q317-Q337 VanDerWaalsContact CA-O 3.31Å; Q317-Q337 WeakPolarHBondContact CA-O 3.41Å; Q317-Q337 HydrophobicContact CG-CB 4.3Å; G318-Q337 PolarHBondContact N-O 3.4Å; Q337-Q357 WeakPolarHBondContact CA-O 3.38Å; Q337-Q357 HydrophobicContact CG-CB 4.18Å; Q337-Q357 HydrophobicContact CG-CG 4.41Å
338A73.8Confident71.8Confident10 Ų1041.3 Ų41.38%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-93131.716600000110.5Q357 K359A338-Q357 PolarHBondContact N-O 3.17Å; A338-K359 PolarHBondContact O-N 3.04Å
339K73.3Confident71.6Confident56 Ų5643.3 Ų43.324%0.24323%0.231CC..EExtended strand (participates in β ladder)trans-135.8108.4-175.8-68166-179.5165.70111.8G318 K319 K320 K359G318-K339 WeakPolarHBondContact O-CB 3.25Å; G318-K339 PolarHBondContact O-N 3.38Å; K319-K339 WeakPolarHBondContact CA-O 3.29Å; K319-K339 HydrophobicContact CG-CB 4.38Å; K319-K339 HydrophobicContact CG-CD 4.17Å; K320-K339 PolarHBondContact N-O 3.04Å; K339-K359 WeakPolarHBondContact CA-O 3.49Å; K339-K359 HydrophobicContact CG-CB 4.28Å; K339-K359 HydrophobicContact CG-CD 4.13Å
340K65.4Low71.1Confident117 Ų11745.6 Ų45.651%0.50924%0.241SC..SBendtrans59.395-177.5-62-171.1175-165.30113.2K320 G321 K359 K360K320-K340 WeakPolarHBondContact CA-O 3.48Å; K320-K340 HydrophobicContact CG-CB 4.33Å; K320-K340 PolarHBondContact N-O 3.25Å; G321-K340 PolarHBondContact N-O 3.16Å; K340-K359 PolarHBondContact N-O 2.97Å; K340-K360 WeakPolarHBondContact CA-O 3.17Å; K340-K360 HydrophobicContact CG-CB 4.09Å; K340-K360 HydrophobicContact CG-CD 4.31Å; K340-K360 PolarHBondContact N-O 3.49Å
341G62.5Low70.9Confident25 Ų2541 Ų4126%0.25823%0.227SC..  trans159.4152.6171.100000111.5K360G341-K360 PolarHBondContact N-O 2.93Å
342E63.5Low70.8Confident98 Ų9844.6 Ų44.646%0.45824%0.238SC..THydrogen-bonded Turntrans-81.8160.1-176.7-65.8152.8-139.700112E322 G323 G344 E362E322-E342 HydrophobicContact CG-CB 4.28Å; G323-E342 PolarHBondContact N-O 3.48Å; E342-G344 PolarHBondContact O-N 3.41Å; E342-G344 VanDerWaalsContact O-N 3.17Å; E342-E362 WeakPolarHBondContact CA-O 3.46Å; E342-E362 HydrophobicContact CG-CB 4.14Å
343G63Low70.7Confident32 Ų3241.9 Ų41.933%0.3324%0.236SC..THydrogen-bonded Turntrans6716.7174.400000115.3Q345 E362G343-Q345 PolarHBondContact O-N 3.09Å; G343-E362 PolarHBondContact N-O 2.82Å
344G68.3Low70.9Confident3 Ų340.5 Ų40.53%0.03122%0.221CC..  trans-65.8111.6-175.200000113.5E342 A364 Q365E342-G344 PolarHBondContact O-N 3.41Å; E342-G344 VanDerWaalsContact O-N 3.17Å; G344-A364 WeakPolarHBondContact O-CA 3.45Å; G344-Q365 PolarHBondContact O-N 2.86Å; G344-Q365 VanDerWaalsContact O-N 3.09Å
345Q77.8Confident71.1Confident55 Ų5542.6 Ų42.626%0.25723%0.23SC..EExtended strand (participates in β ladder)trans-106.6128.8-179.4-57.4-178.1400112.4A324 Q325 N326 G343 Q365A324-Q345 PolarHBondContact O-N 2.89Å; A324-Q345 VanDerWaalsContact O-N 3.12Å; Q325-Q345 WeakPolarHBondContact CA-O 3.47Å; Q325-Q345 HydrophobicContact CG-CB 3.75Å; Q325-Q345 HydrophobicContact CG-CG 4.44Å; N326-Q345 PolarHBondContact N-O 3.05Å; G343-Q345 PolarHBondContact O-N 3.09Å; Q345-Q365 CarbonylContact C-O 3.56Å; Q345-Q365 WeakPolarHBondContact CA-O 3.43Å; Q345-Q365 HydrophobicContact CG-CB 4.39Å
346N79.5Confident70.9Confident0 Ų039.4 Ų39.40%022%0.215CC..EExtended strand (participates in β ladder)trans-117.1127.8172.3-55.5-60.4000110.4N326 N336 N356 Q365 N366 Q367N326-N346 PolarHBondContact ND2-OD1 3Å; N326-N346 CarbonylContact O-C 3.49Å; N326-N346 WeakPolarHBondContact O-CA 3.32Å; N336-N346 HydrophobicContact CB-CB 3.82Å; N336-N346 WeakPolarHBondContact CB-OD1 3.46Å; N346-N356 HydrophobicContact CB-CB 3.89Å; N346-Q365 PolarHBondContact N-O 3.04Å; N346-N366 PolarHBondContact ND2-OD1 3.35Å; N346-N366 WeakPolarHBondContact O-CA 3.22Å; N346-Q367 PolarHBondContact O-N 2.91Å
347Q77Confident70.6Confident25 Ų2540.1 Ų40.112%0.11722%0.218CC..EExtended strand (participates in β ladder)trans-130.7123179.7-55.5-171.414.900113.3N326 Q327 S328 Q367N326-Q347 PolarHBondContact O-N 3.3Å; Q327-Q347 WeakPolarHBondContact CA-O 3.48Å; Q327-Q347 HydrophobicContact CG-CB 4.3Å; S328-Q347 PolarHBondContact N-O 3.39Å; Q347-Q367 WeakPolarHBondContact CA-O 3.49Å; Q347-Q367 HydrophobicContact CG-CB 4.36Å
348A71.5Confident70.2Confident9 Ų939.2 Ų39.27%0.07421%0.214CC..EExtended strand (participates in β ladder)trans-104.9126.2171.100000111.3A354 Q367 K369A348-A354 HydrophobicContact CB-CB 3.67Å; A348-Q367 PolarHBondContact N-O 3.44Å; A348-K369 PolarHBondContact O-N 3.04Å; A348-K369 VanDerWaalsContact O-N 3.14Å
349K71.8Confident70Confident50 Ų5041.7 Ų41.722%0.21722%0.223CC..EExtended strand (participates in β ladder)trans-12889-172.4-68.1169.7-176.3167.10111S328 K329 K330 K369S328-K349 PolarHBondContact O-N 3.08Å; K329-K349 HydrophobicContact CG-CB 4.23Å; K329-K349 HydrophobicContact CG-CD 4.07Å; K330-K349 PolarHBondContact N-O 3Å; K349-K369 HydrophobicContact CG-CD 4.44Å
350K65.4Low69.6Low116 Ų11644.2 Ų44.250%0.50423%0.234SC..SBendtrans65.6127.3-171-69.1-168171.1-160.40113.6K330 G331 K370K330-K350 VanDerWaalsContact CA-O 3.25Å; K330-K350 WeakPolarHBondContact CA-O 3.41Å; K330-K350 HydrophobicContact CG-CB 4.37Å; K330-K350 PolarHBondContact N-O 3.04Å; G331-K350 PolarHBondContact N-O 2.77Å; K350-K370 WeakPolarHBondContact CA-O 3.47Å; K350-K370 HydrophobicContact CG-CB 4.28Å
351G62.4Low69.4Low21 Ų2139.6 Ų39.622%0.21622%0.22CC..  trans141.4150.517600000111G331 G371G331-G351 WeakPolarHBondContact O-CA 3.32Å; G351-G371 WeakPolarHBondContact O-CA 3.42Å
352E62.9Low69.4Low98 Ų9843.2 Ų43.246%0.45823%0.23SC..SBendtrans-83.5158.8177.2-69.7147.9-127.900111.8E332 G333 A354 E372E332-E352 HydrophobicContact CG-CB 4.31Å; G333-E352 PolarHBondContact N-O 3.24Å; E352-A354 VanDerWaalsContact C-N 3.33Å; E352-A354 PolarHBondContact O-N 3.09Å; E352-E372 HydrophobicContact CG-CB 4.38Å
353G63.2Low69.3Low38 Ų3840.3 Ų40.339%0.39223%0.226SC..SBendtrans66.927172.200000115.3Q355 E372G353-Q355 PolarHBondContact O-N 3.14Å; G353-E372 PolarHBondContact N-O 3.34Å; G353-E372 VanDerWaalsContact N-O 3.1Å
354A70.2Confident69.4Low4 Ų439 Ų393%0.03321%0.213CC..  trans-72113.7-176.400000112.6A348 E352 Q375A348-A354 HydrophobicContact CB-CB 3.67Å; E352-A354 VanDerWaalsContact C-N 3.33Å; E352-A354 PolarHBondContact O-N 3.09Å; A354-Q375 PolarHBondContact O-N 3.39Å
355Q76.9Confident69.6Low48 Ų4841.6 Ų41.622%0.22422%0.224CC..EExtended strand (participates in β ladder)trans-112.3112.3-179-166.4-172.684.400112.8A334 Q335 N336 G353 Q357 Q375A334-Q355 PolarHBondContact O-N 2.92Å; Q335-Q355 WeakPolarHBondContact CA-O 3.49Å; Q335-Q355 HydrophobicContact CG-CB 4.49Å; N336-Q355 PolarHBondContact N-O 3.46Å; G353-Q355 PolarHBondContact O-N 3.14Å; Q355-Q357 HydrophobicContact CG-CG 4.42Å; Q355-Q375 WeakPolarHBondContact CA-O 3.44Å; Q355-Q375 HydrophobicContact CG-CB 4.4Å
356N77.8Confident69.5Low0 Ų039 Ų390%021%0.212CC..EExtended strand (participates in β ladder)trans-104.6133.2175.5-56-59.1000110.6N336 N346 N366 Q375 N376 Q377N336-N356 WeakPolarHBondContact CB-OD1 3.3Å; N336-N356 PolarHBondContact ND2-OD1 3.06Å; N336-N356 CarbonylContact O-C 3.59Å; N346-N356 HydrophobicContact CB-CB 3.89Å; N356-N366 HydrophobicContact CB-CB 4.06Å; N356-N366 WeakPolarHBondContact CB-OD1 2.8Å; N356-Q375 PolarHBondContact N-O 3.38Å; N356-N376 PolarHBondContact ND2-OD1 2.97Å; N356-N376 CarbonylContact O-C 3.43Å; N356-N376 WeakPolarHBondContact O-CA 3.46Å; N356-Q377 PolarHBondContact O-N 2.97Å
357Q75.8Confident69.1Low16 Ų1640.4 Ų40.48%0.07522%0.218CC..EExtended strand (participates in β ladder)trans-132.9130.3173.5-42.8-17420.300113.3N336 Q337 A338 Q355 Q377N336-Q357 PolarHBondContact O-N 3.45Å; Q337-Q357 WeakPolarHBondContact CA-O 3.38Å; Q337-Q357 HydrophobicContact CG-CB 4.18Å; Q337-Q357 HydrophobicContact CG-CG 4.41Å; A338-Q357 PolarHBondContact N-O 3.17Å; Q355-Q357 HydrophobicContact CG-CG 4.42Å; Q357-Q377 CarbonylContact C-O 3.59Å; Q357-Q377 VanDerWaalsContact CA-O 3.29Å; Q357-Q377 WeakPolarHBondContact CA-O 3.5Å; Q357-Q377 HydrophobicContact CG-CB 4.33Å
358A71.9Confident68.7Low3 Ų339.5 Ų39.53%0.02522%0.215CC..EExtended strand (participates in β ladder)trans-107.3135.4167.900000110.5A364 Q377 K379A358-A364 HydrophobicContact CB-CB 3.64Å; A358-Q377 PolarHBondContact N-O 3.44Å; A358-K379 PolarHBondContact O-N 2.88Å
359K70.7Confident68.5Low61 Ų6143.6 Ų43.627%0.26523%0.231SC..EExtended strand (participates in β ladder)trans-137.899.9-175.4-69.7168-177.91660110.5A338 K339 K340 K379A338-K359 PolarHBondContact O-N 3.04Å; K339-K359 WeakPolarHBondContact CA-O 3.49Å; K339-K359 HydrophobicContact CG-CB 4.28Å; K339-K359 HydrophobicContact CG-CD 4.13Å; K340-K359 PolarHBondContact N-O 2.97Å; K359-K379 HydrophobicContact CG-CB 4.09Å; K359-K379 HydrophobicContact CG-CD 4.03Å
360K64Low68.1Low110 Ų11046.5 Ų46.548%0.47824%0.244SC..SBendtrans62.7130.4-172.9-75.7176.6156.8-76.20115.9K340 G341 K379 K380 G381K340-K360 WeakPolarHBondContact CA-O 3.17Å; K340-K360 HydrophobicContact CG-CB 4.09Å; K340-K360 HydrophobicContact CG-CD 4.31Å; K340-K360 PolarHBondContact N-O 3.49Å; G341-K360 PolarHBondContact N-O 2.93Å; K360-K379 PolarHBondContact N-O 3Å; K360-K379 VanDerWaalsContact N-O 3.16Å; K360-K380 WeakPolarHBondContact CG-O 3.46Å; K360-G381 CarbonylContact C-O 3.48Å; K360-G381 WeakPolarHBondContact CA-O 3.47Å
361G61.7Low67.8Low20 Ų2041.7 Ų41.721%0.20623%0.227CC..SBendtrans119.3148.4176.600000111.8G381 V382G361-G381 PolarHBondContact N-O 3.43Å; G361-V382 WeakPolarHBondContact O-CA 3.38Å; G361-V382 WeakPolarHBondContact O-CG1 3.45Å; G361-V382 WeakPolarHBondContact O-CG2 3.32Å
362E61.7Low67.7Low100 Ų10045.2 Ų45.247%0.46724%0.238SC..SBendtrans-79.2164.6-172.8-59.9171.4-147.700113.3E342 G343 A364E342-E362 WeakPolarHBondContact CA-O 3.46Å; E342-E362 HydrophobicContact CG-CB 4.14Å; G343-E362 PolarHBondContact N-O 2.82Å; E362-A364 VanDerWaalsContact C-N 3.3Å; E362-A364 PolarHBondContact O-N 2.93Å
363G61.6Low67.5Low37 Ų3742.4 Ų42.438%0.38124%0.236SC..SBendtrans6919.8166.800000115.8Q365 E383G363-Q365 PolarHBondContact O-N 3.31Å; G363-E383 PolarHBondContact N-O 3.3Å; G363-E383 VanDerWaalsContact N-O 3.15Å
364A65.7Low67.6Low5 Ų541 Ų414%0.04122%0.219CC..  trans-69.7121.2-174.400000112.9G344 A358 E362 V382 Q386G344-A364 WeakPolarHBondContact O-CA 3.45Å; A358-A364 HydrophobicContact CB-CB 3.64Å; E362-A364 VanDerWaalsContact C-N 3.3Å; E362-A364 PolarHBondContact O-N 2.93Å; A364-V382 HydrophobicContact CB-CG1 3.67Å; A364-Q386 PolarHBondContact O-N 3.25Å; A364-Q386 VanDerWaalsContact O-N 3.17Å
365Q72.8Confident67.6Low57 Ų5742.9 Ų42.927%0.26623%0.228SC..EExtended strand (participates in β ladder)trans-109.6128.4178-63.6-165.6-400112.4G344 Q345 N346 G363 Q386G344-Q365 PolarHBondContact O-N 2.86Å; G344-Q365 VanDerWaalsContact O-N 3.09Å; Q345-Q365 CarbonylContact C-O 3.56Å; Q345-Q365 WeakPolarHBondContact CA-O 3.43Å; Q345-Q365 HydrophobicContact CG-CB 4.39Å; N346-Q365 PolarHBondContact N-O 3.04Å; G363-Q365 PolarHBondContact O-N 3.31Å; Q365-Q386 WeakPolarHBondContact CA-O 3.34Å; Q365-Q386 HydrophobicContact CG-CB 4.42Å
366N74.3Confident67.4Low0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-116.5125.5170.9-53.3-67.5000110.4N346 N356 N376 Q386 N387 Q388N346-N366 PolarHBondContact ND2-OD1 3.35Å; N346-N366 WeakPolarHBondContact O-CA 3.22Å; N356-N366 HydrophobicContact CB-CB 4.06Å; N356-N366 WeakPolarHBondContact CB-OD1 2.8Å; N366-N376 HydrophobicContact CB-CB 4.05Å; N366-N376 WeakPolarHBondContact CB-OD1 3.32Å; N366-Q386 PolarHBondContact N-O 2.91Å; N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.53Å; N366-N387 WeakPolarHBondContact O-CA 3.36Å; N366-Q388 PolarHBondContact O-N 2.98Å
367Q72.6Confident67Low31 Ų3141.4 Ų41.415%0.14522%0.221CC..EExtended strand (participates in β ladder)trans-127.2131.6178.8-57.5-169.621.300112.7N346 Q347 A348 Q388N346-Q367 PolarHBondContact O-N 2.91Å; Q347-Q367 WeakPolarHBondContact CA-O 3.49Å; Q347-Q367 HydrophobicContact CG-CB 4.36Å; A348-Q367 PolarHBondContact N-O 3.44Å; Q367-Q388 HydrophobicContact CG-CB 4.36Å
368A68.3Low66.6Low6 Ų641 Ų415%0.0522%0.22CC..EExtended strand (participates in β ladder)trans-121123.6168.700000110.6V374 Q388 K390A368-V374 HydrophobicContact CB-CB 4.33Å; A368-V374 HydrophobicContact CB-CG1 3.53Å; A368-V374 HydrophobicContact CB-CG2 3.84Å; A368-Q388 PolarHBondContact N-O 3.39Å; A368-K390 PolarHBondContact O-N 2.69Å; A368-K390 VanDerWaalsContact O-N 3.12Å
369K65.9Low66.3Low95 Ų9543.2 Ų43.241%0.41323%0.229SC..  trans-89.4-35.9-175.8-70.4-161.7179.7-172.90114.7A348 K349 K390A348-K369 PolarHBondContact O-N 3.04Å; A348-K369 VanDerWaalsContact O-N 3.14Å; K349-K369 HydrophobicContact CG-CD 4.44Å; K369-K390 HydrophobicContact CG-CD 4.49Å
370K63.5Low65.7Low110 Ų11046.8 Ų46.848%0.47825%0.245SC..SBendtrans-162.4139.6177.3-74.1-162.1176.1-165.80109.2K350 K391K350-K370 WeakPolarHBondContact CA-O 3.47Å; K350-K370 HydrophobicContact CG-CB 4.28Å; K370-K391 WeakPolarHBondContact CA-O 3.38Å; K370-K391 HydrophobicContact CG-CB 4.42Å
371G60Low65Low15 Ų1543.1 Ų43.116%0.15524%0.239CC..  trans147.1152.2172.500000111.5G351G351-G371 WeakPolarHBondContact O-CA 3.42Å
372E60.2Low64.6Low95 Ų9542.4 Ų42.444%0.44423%0.23SC..SBendtrans-81.6160.6169.6-69.6124.3-11300111.8E352 G353 V374 E393E352-E372 HydrophobicContact CG-CB 4.38Å; G353-E372 PolarHBondContact N-O 3.34Å; G353-E372 VanDerWaalsContact N-O 3.1Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.26Å; E372-E393 HydrophobicContact CG-CB 4.22Å
373G59.3Low64.3Low40 Ų4041 Ų4141%0.41222%0.223SC..SBendtrans66.228.9171.700000115Q375G373-Q375 PolarHBondContact O-N 3.29Å
374V64.2Low64Low7 Ų741.1 Ų41.14%0.04222%0.224CC..  trans-69.4127.4179.5177.70000110.7A368 E372 N395 Q396A368-V374 HydrophobicContact CB-CB 4.33Å; A368-V374 HydrophobicContact CB-CG1 3.53Å; A368-V374 HydrophobicContact CB-CG2 3.84Å; E372-V374 VanDerWaalsContact C-N 3.34Å; E372-V374 PolarHBondContact O-N 3.26Å; V374-N395 WeakPolarHBondContact CG1-OD1 3.27Å; V374-N395 WeakPolarHBondContact O-CA 3.31Å; V374-Q396 PolarHBondContact O-N 3.04Å
375Q71.3Confident63.8Low45 Ų4541.1 Ų41.121%0.2123%0.225CC..EExtended strand (participates in β ladder)trans-129.7116.1176-165.3-171.269.900113.1A354 Q355 N356 G373 Q377 Q396A354-Q375 PolarHBondContact O-N 3.39Å; Q355-Q375 WeakPolarHBondContact CA-O 3.44Å; Q355-Q375 HydrophobicContact CG-CB 4.4Å; N356-Q375 PolarHBondContact N-O 3.38Å; G373-Q375 PolarHBondContact O-N 3.29Å; Q375-Q377 HydrophobicContact CG-CG 4.36Å; Q375-Q396 WeakPolarHBondContact CA-O 3.18Å; Q375-Q396 HydrophobicContact CG-CB 4.45Å
376N72Confident63.4Low1 Ų141 Ų411%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-108.9130.8177.3-48.6-75.2000110.8N356 N366 N387 N395 Q396 N397 Q398N356-N376 PolarHBondContact ND2-OD1 2.97Å; N356-N376 CarbonylContact O-C 3.43Å; N356-N376 WeakPolarHBondContact O-CA 3.46Å; N366-N376 HydrophobicContact CB-CB 4.05Å; N366-N376 WeakPolarHBondContact CB-OD1 3.32Å; N376-N387 HydrophobicContact CB-CB 4.33Å; N376-N395 PolarHBondContact ND2-OD1 3.42Å; N376-Q396 PolarHBondContact N-O 2.89Å; N376-N397 WeakPolarHBondContact CB-OD1 3.19Å; N376-N397 PolarHBondContact ND2-OD1 3.42Å; N376-N397 CarbonylContact O-C 3.3Å; N376-N397 WeakPolarHBondContact O-CA 3.29Å; N376-Q398 PolarHBondContact O-N 2.92Å
377Q69.8Low63Low16 Ų1641.6 Ų41.68%0.07523%0.227CC..EExtended strand (participates in β ladder)trans-130.8117.2-179.4-52.7-168.127.800113.6N356 Q357 A358 Q375 Q398N356-Q377 PolarHBondContact O-N 2.97Å; Q357-Q377 CarbonylContact C-O 3.59Å; Q357-Q377 VanDerWaalsContact CA-O 3.29Å; Q357-Q377 WeakPolarHBondContact CA-O 3.5Å; Q357-Q377 HydrophobicContact CG-CB 4.33Å; A358-Q377 PolarHBondContact N-O 3.44Å; Q375-Q377 HydrophobicContact CG-CG 4.36Å; Q377-Q398 WeakPolarHBondContact CA-O 3.5Å; Q377-Q398 HydrophobicContact CG-CB 4.3Å
378A66.4Low62.6Low8 Ų842.1 Ų42.17%0.06623%0.23CC..EExtended strand (participates in β ladder)trans-98.4134.2169.900000111.3A385 Q398 K400A378-A385 HydrophobicContact CB-CB 4.11Å; A378-Q398 PolarHBondContact N-O 2.92Å; A378-K400 PolarHBondContact O-N 2.86Å
379K65.9Low62.3Low48 Ų4842.2 Ų42.221%0.20923%0.231CC..EExtended strand (participates in β ladder)trans-138.7117.4-169.1-67.5169.9-178170.80113.5A358 K359 K360 K400A358-K379 PolarHBondContact O-N 2.88Å; K359-K379 HydrophobicContact CG-CB 4.09Å; K359-K379 HydrophobicContact CG-CD 4.03Å; K360-K379 PolarHBondContact N-O 3Å; K360-K379 VanDerWaalsContact N-O 3.16Å; K379-K400 HydrophobicContact CG-CB 4.47Å; K379-K400 HydrophobicContact CG-CD 4.32Å
380K58Low62.1Low136 Ų13641.1 Ų41.159%0.59123%0.226SC*.SBendtrans53.5101.1168.1-109.1-166.6177.8-172.60115K360 K400 K401K360-K380 WeakPolarHBondContact CG-O 3.46Å; K380-K400 PolarHBondContact N-O 3.23Å; K380-K401 CarbonylContact C-O 2.86Å; K380-K401 VanDerWaalsContact CA-O 3.31Å; K380-K401 WeakPolarHBondContact CA-O 3.39Å; K380-K401 HydrophobicContact CG-CB 4.43Å; K380-K401 HydrophobicContact CG-CD 4.38Å; K380-K401 PolarHBondContact N-O 2.71Å
381G50.9Low62Low34 Ų3441.5 Ų41.535%0.35123%0.228SC..SBendtrans71.372.7173.900000110.4K360 G361 K401K360-G381 CarbonylContact C-O 3.48Å; K360-G381 WeakPolarHBondContact CA-O 3.47Å; G361-G381 PolarHBondContact N-O 3.43Å; G381-K401 PolarHBondContact N-O 3.03Å
382V51.9Low61.7Low5 Ų542 Ų423%0.0323%0.233CC..  trans-150.684.6-179.4-178.70000105G361 A364 A385G361-V382 WeakPolarHBondContact O-CA 3.38Å; G361-V382 WeakPolarHBondContact O-CG1 3.45Å; G361-V382 WeakPolarHBondContact O-CG2 3.32Å; A364-V382 HydrophobicContact CB-CG1 3.67Å; V382-A385 HydrophobicContact CG1-CB 3.89Å
383E55Low61.4Low70 Ų7042.4 Ų42.433%0.32724%0.235SC..THydrogen-bonded Turntrans-68.9153.7168.3-71.591.9-88.400111.1G363 A385 E403G363-E383 PolarHBondContact N-O 3.3Å; G363-E383 VanDerWaalsContact N-O 3.15Å; E383-A385 VanDerWaalsContact C-N 3.27Å; E383-A385 PolarHBondContact O-N 3.28Å; E383-E403 HydrophobicContact CG-CB 4.16Å
384G55.6Low61.2Low39 Ų3943.5 Ų43.540%0.40224%0.24SC..THydrogen-bonded Turntrans67.120.6172.500000115.3Q386 E403G384-Q386 PolarHBondContact O-N 2.99Å; G384-Q386 VanDerWaalsContact O-N 3.11Å; G384-E403 PolarHBondContact N-O 2.9Å
385A61Low61Low6 Ų643.7 Ų43.75%0.0524%0.241CC..  trans-63.1112-175.400000112.4A378 V382 E383 Q406A378-A385 HydrophobicContact CB-CB 4.11Å; V382-A385 HydrophobicContact CG1-CB 3.89Å; E383-A385 VanDerWaalsContact C-N 3.27Å; E383-A385 PolarHBondContact O-N 3.28Å; A385-Q406 PolarHBondContact O-N 3.46Å; A385-Q406 VanDerWaalsContact O-N 3.15Å
386Q65.1Low60.7Low55 Ų5543.9 Ų43.926%0.25724%0.241SC..EExtended strand (participates in β ladder)trans-104.5125.9178.7-70.2-168.8-20.100112.2A364 Q365 N366 G384 Q406A364-Q386 PolarHBondContact O-N 3.25Å; A364-Q386 VanDerWaalsContact O-N 3.17Å; Q365-Q386 WeakPolarHBondContact CA-O 3.34Å; Q365-Q386 HydrophobicContact CG-CB 4.42Å; N366-Q386 PolarHBondContact N-O 2.91Å; G384-Q386 PolarHBondContact O-N 2.99Å; G384-Q386 VanDerWaalsContact O-N 3.11Å; Q386-Q406 WeakPolarHBondContact CA-O 3.49Å; Q386-Q406 HydrophobicContact CG-CB 4.34Å
387N65.7Low60.3Low11 Ų1144.1 Ų44.16%0.05924%0.243CC..EExtended strand (participates in β ladder)trans-118.7129.3171.1-41.3-84.2000111N366 N376 Q406 N407 Q408N366-N387 PolarHBondContact ND2-OD1 3.47Å; N366-N387 CarbonylContact O-C 3.53Å; N366-N387 WeakPolarHBondContact O-CA 3.36Å; N376-N387 HydrophobicContact CB-CB 4.33Å; N387-Q406 PolarHBondContact N-O 2.85Å; N387-N407 WeakPolarHBondContact CB-OD1 3.16Å; N387-N407 PolarHBondContact ND2-OD1 3.39Å; N387-N407 WeakPolarHBondContact O-CA 3.43Å; N387-Q408 PolarHBondContact O-N 2.99Å; N387-Q408 VanDerWaalsContact O-N 3.09Å
388Q64.9Low59.9Low43 Ų4344.7 Ų44.720%0.20125%0.246CC..EExtended strand (participates in β ladder)trans-124.7124.7-179-60.3-171.316.300112.9N366 Q367 A368 Q408N366-Q388 PolarHBondContact O-N 2.98Å; Q367-Q388 HydrophobicContact CG-CB 4.36Å; A368-Q388 PolarHBondContact N-O 3.39Å; Q388-Q408 WeakPolarHBondContact CA-O 3.35Å
389G61.6Low59.6Low7 Ų746 Ų467%0.07226%0.256CS..EExtended strand (participates in β ladder)trans-111.7126.8170.600000111.7Q408 T409 K410G389-Q408 PolarHBondContact N-O 3.34Å; G389-T409 WeakPolarHBondContact O-CA 3.19Å; G389-K410 PolarHBondContact O-N 3.13Å
390K62.7Low59.2Low72 Ų7246.2 Ų46.231%0.31326%0.257SS..SBendtrans-99.5-33.3-176.7-63.2-169.2179.2-179.20115.3A368 K369A368-K390 PolarHBondContact O-N 2.69Å; A368-K390 VanDerWaalsContact O-N 3.12Å; K369-K390 HydrophobicContact CG-CD 4.49Å
391K59.7Low59Low118 Ų11845.2 Ų45.251%0.51325%0.252SS..SBendtrans-160.6142.4168.7-82.2-159.6173.7-158.40108.5K370 K411K370-K391 WeakPolarHBondContact CA-O 3.38Å; K370-K391 HydrophobicContact CG-CB 4.42Å; K391-K411 HydrophobicContact CG-CB 4.37Å
392G53.9Low58.9Low25 Ų2544.5 Ų44.526%0.25825%0.245SC..  trans149153.7171.700000111.7
393E54.8Low58.8Low105 Ų10548.6 Ų48.649%0.49126%0.264SS..SBendtrans-81.1155.8172.4-72.2146.5-127.500111.4E372 N395E372-E393 HydrophobicContact CG-CB 4.22Å; E393-N395 PolarHBondContact O-N 2.84Å
394A54.7Low58.6Low62 Ų6246.8 Ų46.851%0.51226%0.264SS..  trans53.538.4170.100000116.3Q396 E413A394-Q396 PolarHBondContact O-N 2.75Å; A394-Q396 VanDerWaalsContact O-N 3.17Å; A394-E413 PolarHBondContact N-O 3.31Å
395N60Low58.5Low11 Ų1145.9 Ų45.96%0.05926%0.255CS..  trans-70.2107.1174.9-178.430.6000111.6V374 N376 E393 Q416V374-N395 WeakPolarHBondContact CG1-OD1 3.27Å; V374-N395 WeakPolarHBondContact O-CA 3.31Å; N376-N395 PolarHBondContact ND2-OD1 3.42Å; E393-N395 PolarHBondContact O-N 2.84Å; N395-Q416 PolarHBondContact O-N 3.29Å
396Q64.4Low58.4Low49 Ų4949.2 Ų49.223%0.22927%0.27CS..EExtended strand (participates in β ladder)trans-107.8119.7-176.6-171-170.989.300112.8V374 Q375 N376 A394 Q416V374-Q396 PolarHBondContact O-N 3.04Å; Q375-Q396 WeakPolarHBondContact CA-O 3.18Å; Q375-Q396 HydrophobicContact CG-CB 4.45Å; N376-Q396 PolarHBondContact N-O 2.89Å; A394-Q396 PolarHBondContact O-N 2.75Å; A394-Q396 VanDerWaalsContact O-N 3.17Å; Q396-Q416 WeakPolarHBondContact CA-O 3.48Å
397N63.5Low58.1Low6 Ų646.9 Ų46.93%0.03226%0.259CS..EExtended strand (participates in β ladder)trans-108.1137.9177-62.8-33.7000111.7N376 N407 Q416 N417 Q418N376-N397 WeakPolarHBondContact CB-OD1 3.19Å; N376-N397 PolarHBondContact ND2-OD1 3.42Å; N376-N397 CarbonylContact O-C 3.3Å; N376-N397 WeakPolarHBondContact O-CA 3.29Å; N397-N407 VanDerWaalsContact ND2-CG 3.31Å; N397-N407 PolarHBondContact ND2-ND2 3.06Å; N397-N407 PolarHBondContact ND2-OD1 3.38Å; N397-Q416 PolarHBondContact N-O 2.99Å; N397-N417 WeakPolarHBondContact O-CA 3.07Å; N397-N417 PolarHBondContact O-OD1 3.09Å; N397-Q418 PolarHBondContact O-N 3.38Å
398Q62.3Low57.9Low29 Ų2949.2 Ų49.214%0.13627%0.269CS..EExtended strand (participates in β ladder)trans-131.3124.3176.4-57.5-170.716.600112.9N376 Q377 A378 Q418N376-Q398 PolarHBondContact O-N 2.92Å; Q377-Q398 WeakPolarHBondContact CA-O 3.5Å; Q377-Q398 HydrophobicContact CG-CB 4.3Å; A378-Q398 PolarHBondContact N-O 2.92Å; Q398-Q418 WeakPolarHBondContact CA-O 3.17Å; Q398-Q418 HydrophobicContact CG-CB 4.42Å
399A59.9Low57.6Low34 Ų3447.5 Ų47.528%0.28126%0.262SS..EExtended strand (participates in β ladder)trans-111.3125.1174.900000111.7Q418 K420A399-Q418 PolarHBondContact N-O 3.15Å; A399-K420 PolarHBondContact O-N 2.97Å
400K58.1Low57.7Low53 Ų5352.5 Ų52.523%0.2328%0.282CS..EExtended strand (participates in β ladder)trans-127.182.1-174-66170.2-174.8159.20111.1A378 K379 K380 K420A378-K400 PolarHBondContact O-N 2.86Å; K379-K400 HydrophobicContact CG-CB 4.47Å; K379-K400 HydrophobicContact CG-CD 4.32Å; K380-K400 PolarHBondContact N-O 3.23Å; K400-K420 HydrophobicContact CG-CD 4.19Å; K400-K420 HydrophobicContact CG-CG 4.31Å
401K53.1Low57.4Low115 Ų11554.3 Ų54.350%0.529%0.289SS..SBendtrans67.3100.2-173.7-66.7-169.1171.6-157.70114.3K380 G381 K421K380-K401 CarbonylContact C-O 2.86Å; K380-K401 VanDerWaalsContact CA-O 3.31Å; K380-K401 WeakPolarHBondContact CA-O 3.39Å; K380-K401 HydrophobicContact CG-CB 4.43Å; K380-K401 HydrophobicContact CG-CD 4.38Å; K380-K401 PolarHBondContact N-O 2.71Å; G381-K401 PolarHBondContact N-O 3.03Å; K401-K421 WeakPolarHBondContact CA-O 2.97Å; K401-K421 HydrophobicContact CG-CB 3.99Å; K401-K421 PolarHBondContact N-O 3.1Å
402G48.5Very low57.2Low19 Ų1949.7 Ų49.720%0.19628%0.275CS..  trans179.8152.4166.800000108.9G422G402-G422 WeakPolarHBondContact O-CA 3.46Å
403E50.8Low57.4Low91 Ų9154 Ų5443%0.42529%0.289SS..SBendtrans-84.5151.4177.2-67.398.4-117.900112.4E383 G384 E423E383-E403 HydrophobicContact CG-CB 4.16Å; G384-E403 PolarHBondContact N-O 2.9Å; E403-E423 HydrophobicContact CB-CB 4.48Å; E403-E423 HydrophobicContact CG-CB 4.23Å; E403-E423 HydrophobicContact CG-CG 4.1Å
404G51.1Low57.3Low32 Ų3251 Ų5133%0.3329%0.286SS..  trans70.443.4165.400000116.3Q406 E423G404-Q406 PolarHBondContact O-N 3.46Å; G404-E423 PolarHBondContact N-O 3.02Å
405G52.8Low57.5Low20 Ų2048.2 Ų48.221%0.20626%0.262CS..  trans-78.2110.1-179.300000114Q426G405-Q426 PolarHBondContact O-N 2.96Å
406Q59.2Low57.5Low77 Ų7749.8 Ų49.836%0.3627%0.269SS..EExtended strand (participates in β ladder)trans-103.8130.3178.3-68.8-176.1-2.300113A385 Q386 N387 G404A385-Q406 PolarHBondContact O-N 3.46Å; A385-Q406 VanDerWaalsContact O-N 3.15Å; Q386-Q406 WeakPolarHBondContact CA-O 3.49Å; Q386-Q406 HydrophobicContact CG-CB 4.34Å; N387-Q406 PolarHBondContact N-O 2.85Å; G404-Q406 PolarHBondContact O-N 3.46Å
407N59.3Low57.4Low5 Ų547.8 Ų47.83%0.02726%0.26CS..EExtended strand (participates in β ladder)trans-118137.3170.4-71.7-21.5000111.7N387 N397 N417 Q426 K427 Q428N387-N407 WeakPolarHBondContact CB-OD1 3.16Å; N387-N407 PolarHBondContact ND2-OD1 3.39Å; N387-N407 WeakPolarHBondContact O-CA 3.43Å; N397-N407 VanDerWaalsContact ND2-CG 3.31Å; N397-N407 PolarHBondContact ND2-ND2 3.06Å; N397-N407 PolarHBondContact ND2-OD1 3.38Å; N407-N417 PolarHBondContact ND2-OD1 2.85Å; N407-Q426 PolarHBondContact N-O 2.91Å; N407-K427 HydrophobicContact CB-CG 4.3Å; N407-K427 WeakPolarHBondContact O-CA 3.43Å; N407-Q428 PolarHBondContact O-N 3.36Å
408Q59.8Low57.2Low61 Ų6150.4 Ų50.429%0.28527%0.272SS..EExtended strand (participates in β ladder)trans-129.2131172.2-59.9-171.318.500112N387 Q388 G389 Q428N387-Q408 PolarHBondContact O-N 2.99Å; N387-Q408 VanDerWaalsContact O-N 3.09Å; Q388-Q408 WeakPolarHBondContact CA-O 3.35Å; G389-Q408 PolarHBondContact N-O 3.34Å; Q408-Q428 WeakPolarHBondContact CA-O 3.1Å; Q408-Q428 HydrophobicContact CG-CB 4.47Å
409T59.5Low56.9Low7 Ų749.9 Ų49.94%0.04328%0.275CS..EExtended strand (participates in β ladder)trans-127.3126.7179.1-26.80000110.8G389 P415 Q428 D429 K430 I432G389-T409 WeakPolarHBondContact O-CA 3.19Å; T409-P415 HydrophobicContact CG2-CB 4.24Å; T409-P415 HydrophobicContact CG2-CG 4.48Å; T409-Q428 PolarHBondContact N-O 2.69Å; T409-D429 WeakPolarHBondContact CB-OD1 3.33Å; T409-D429 PolarHBondContact N-OD1 3.03Å; T409-D429 PolarHBondContact OG1-OD1 3.02Å; T409-K430 PolarHBondContact O-N 3.26Å; T409-K430 VanDerWaalsContact O-N 3.12Å; T409-I432 VanDerWaalsContact CB-CD1 3.4Å; T409-I432 HydrophobicContact CG2-CD1 3.51Å
410K62.6Low56.7Low112 Ų11253.3 Ų53.349%0.48728%0.283SS..SBendtrans-97.4-20-173-77.5-162.6177.2-168.80116.6G389 K430G389-K410 PolarHBondContact O-N 3.13Å; K410-K430 CarbonylContact C-O 3.57Å
411K57.8Low56.4Low110 Ų11056 Ų5648%0.47830%0.295SS..SBendtrans-172147.8168.9-76.7-155.3178.7-171.40107.6K391K391-K411 HydrophobicContact CG-CB 4.37Å
412G55.5Low56.2Low21 Ų2151.5 Ų51.522%0.21628%0.281CS..  trans141.4162174.200000112.1I432G412-I432 WeakPolarHBondContact O-CG1 3.43Å; G412-I432 WeakPolarHBondContact O-CG2 2.91Å
413E56.9Low56.2Low116 Ų11656.1 Ų56.154%0.54230%0.298SS..SBendtrans-101.6150.2-176.6-73.3154.9-12900112.5A394 P415A394-E413 PolarHBondContact N-O 3.31Å; E413-P415 WeakPolarHBondContact O-CD 3.09Å
414G53.1Low56.2Low41 Ų4153.6 Ų53.642%0.42329%0.292SS..  trans55.929.9175.900000118.3Q416 E433G414-Q416 PolarHBondContact O-N 3.1Å; G414-E433 PolarHBondContact N-O 2.76Å
415P58.4Low56.4Low4 Ų452.9 Ų52.93%0.02628%0.283CS..  trans-66.7109.9-176.726.7-33.7000111.8T409 E413 K427 I432T409-P415 HydrophobicContact CG2-CB 4.24Å; T409-P415 HydrophobicContact CG2-CG 4.48Å; E413-P415 WeakPolarHBondContact O-CD 3.09Å; P415-K427 WeakPolarHBondContact O-CE 3.27Å; P415-K427 PolarHBondContact O-NZ 2.93Å; P415-I432 HydrophobicContact CG-CD1 4.08Å; P415-I432 HydrophobicContact CG-CG2 3.6Å
416Q60.6Low56.7Low43 Ų4356 Ų5620%0.20129%0.292CS..EExtended strand (participates in β ladder)trans-104.3135.3-171.8-170.5-172.678.800112.3N395 Q396 N397 G414 Q436N395-Q416 PolarHBondContact O-N 3.29Å; Q396-Q416 WeakPolarHBondContact CA-O 3.48Å; N397-Q416 PolarHBondContact N-O 2.99Å; G414-Q416 PolarHBondContact O-N 3.1Å; Q416-Q436 HydrophobicContact CG-CB 4.23Å
417N62.2Low56.8Low8 Ų852.5 Ų52.54%0.04328%0.276CS..EExtended strand (participates in β ladder)trans-122135.6175.1-17547000112.2N397 N407 Q436 N437 Q438N397-N417 WeakPolarHBondContact O-CA 3.07Å; N397-N417 PolarHBondContact O-OD1 3.09Å; N407-N417 PolarHBondContact ND2-OD1 2.85Å; N417-Q436 PolarHBondContact N-O 2.91Å; N417-N437 WeakPolarHBondContact CB-OD1 3.25Å; N417-N437 PolarHBondContact ND2-OD1 2.7Å; N417-Q438 PolarHBondContact O-N 3.3Å
418Q58.8Low56.8Low60 Ų6056 Ų5628%0.2829%0.292SS..EExtended strand (participates in β ladder)trans-128.1113.8179.8-59.1-170.717.600113.1N397 Q398 A399 Q438N397-Q418 PolarHBondContact O-N 3.38Å; Q398-Q418 WeakPolarHBondContact CA-O 3.17Å; Q398-Q418 HydrophobicContact CG-CB 4.42Å; A399-Q418 PolarHBondContact N-O 3.15Å; Q418-Q438 WeakPolarHBondContact CA-O 3.39Å
419G56Low56.7Low18 Ų1853.8 Ų53.819%0.18628%0.282CS..EExtended strand (participates in β ladder)trans-103.6126.417600000113.2Q438 K440G419-Q438 PolarHBondContact N-O 3.11Å; G419-K440 PolarHBondContact O-N 3.36Å
420K57.6Low56.8Low106 Ų10657.9 Ų57.946%0.46130%0.299SS..SBendtrans-91.6-30.9176.8-70.4-161.4-180-175.80115.1A399 K400A399-K420 PolarHBondContact O-N 2.97Å; K400-K420 HydrophobicContact CG-CD 4.19Å; K400-K420 HydrophobicContact CG-CG 4.31Å
421K51.4Low56.6Low110 Ų11058.5 Ų58.548%0.47830%0.302SS..SBendtrans-169.9138.8176.9-107.8-161.3171.6-136.20107.5K401 K441K401-K421 WeakPolarHBondContact CA-O 2.97Å; K401-K421 HydrophobicContact CG-CB 3.99Å; K401-K421 PolarHBondContact N-O 3.1Å; K421-K441 WeakPolarHBondContact CA-O 3.48Å; K421-K441 HydrophobicContact CG-CB 4.19Å
422G47.6Very low56.3Low20 Ų2053.6 Ų53.621%0.20628%0.281CS..EExtended strand (participates in β ladder)trans146.2149.7173.600000112.3G402G402-G422 WeakPolarHBondContact O-CA 3.46Å
423E49.7Very low56.4Low117 Ų11756.6 Ų56.655%0.54729%0.289SS..EExtended strand (participates in β ladder)trans-66.7145.2174-61.2178.1176.400111.7E403 G404E403-E423 HydrophobicContact CB-CB 4.48Å; E403-E423 HydrophobicContact CG-CB 4.23Å; E403-E423 HydrophobicContact CG-CG 4.1Å; G404-E423 PolarHBondContact N-O 3.02Å
424A49.5Very low56.3Low37 Ų3752.6 Ų52.631%0.30628%0.28SS..EExtended strand (participates in β ladder)trans46.580.7166.500000116.3Q426 E443A424-Q426 PolarHBondContact O-N 2.62Å; A424-E443 PolarHBondContact N-O 2.96Å
425A55.9Low56.7Low18 Ų1851.1 Ų51.115%0.14926%0.264CS..EExtended strand (participates in β ladder)trans-84.9100.3166.300000110.7G444 T445 S446A425-G444 PolarHBondContact N-O 2.67Å; A425-G444 VanDerWaalsContact N-O 3.1Å; A425-T445 HydrophobicContact CB-CG2 4.36Å; A425-S446 PolarHBondContact O-N 2.83Å; A425-S446 VanDerWaalsContact O-N 3.11Å
426Q58.9Low56.9Low84 Ų8453.6 Ų53.639%0.39328%0.275SS..EExtended strand (participates in β ladder)trans-103.1138.1-178.3-65.1-169.49.600113G405 N407 A424G405-Q426 PolarHBondContact O-N 2.96Å; N407-Q426 PolarHBondContact N-O 2.91Å; A424-Q426 PolarHBondContact O-N 2.62Å
427K61.5Low57Low4 Ų451.6 Ų51.62%0.01727%0.265CS..EExtended strand (participates in β ladder)trans-130.8123.1177.5-158.8-170.2-172.3-145.70111.3N407 P415 D429 S446 Q448N407-K427 HydrophobicContact CB-CG 4.3Å; N407-K427 WeakPolarHBondContact O-CA 3.43Å; P415-K427 WeakPolarHBondContact O-CE 3.27Å; P415-K427 PolarHBondContact O-NZ 2.93Å; K427-D429 WeakPolarHBondContact CD-OD2 3.47Å; K427-D429 WeakPolarHBondContact CE-OD2 3.43Å; K427-D429 IonicContact NZ-OD2 2.81Å; K427-D429 PolarHBondContact NZ-OD2 3.2Å; K427-S446 PolarHBondContact N-O 3.12Å; K427-Q448 PolarHBondContact O-N 2.88Å
428Q59.9Low56.9Low80 Ų8054 Ų5437%0.37428%0.277SS..EExtended strand (participates in β ladder)trans-116.7112.8174-67.9-1717.900111N407 Q408 T409 Q448N407-Q428 PolarHBondContact O-N 3.36Å; Q408-Q428 WeakPolarHBondContact CA-O 3.1Å; Q408-Q428 HydrophobicContact CG-CB 4.47Å; T409-Q428 PolarHBondContact N-O 2.69Å; Q428-Q448 HydrophobicContact CG-CB 4.48Å
429D58.2Low56.8Low13 Ų1351.4 Ų51.47%0.0727%0.266CS..EExtended strand (participates in β ladder)trans-117.3142.3-174.9-70.1-25.6000111.8T409 K427 I432 Q448T409-D429 WeakPolarHBondContact CB-OD1 3.33Å; T409-D429 PolarHBondContact N-OD1 3.03Å; T409-D429 PolarHBondContact OG1-OD1 3.02Å; K427-D429 WeakPolarHBondContact CD-OD2 3.47Å; K427-D429 WeakPolarHBondContact CE-OD2 3.43Å; K427-D429 IonicContact NZ-OD2 2.81Å; K427-D429 PolarHBondContact NZ-OD2 3.2Å; D429-I432 HydrophobicContact CB-CB 4.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 4.42Å; D429-Q448 PolarHBondContact N-O 3.43Å; D429-Q448 VanDerWaalsContact N-O 3.17Å
430K61.6Low56.9Low93 Ų9356.3 Ų56.340%0.40428%0.282SS..SBendtrans-124.696.3-177.6-70.1174.8-178.61680111.1T409 K410T409-K430 PolarHBondContact O-N 3.26Å; T409-K430 VanDerWaalsContact O-N 3.12Å; K410-K430 CarbonylContact C-O 3.57Å
431K56.8Low56.7Low126 Ų12654.7 Ų54.755%0.54828%0.275SS..SBendtrans65.183.5-178.4-155.4-157.9-175.7-1450112.6K451K431-K451 VanDerWaalsContact CA-O 3.28Å; K431-K451 WeakPolarHBondContact CA-O 3.41Å; K431-K451 HydrophobicContact CG-CB 4.41Å; K431-K451 PolarHBondContact N-O 3.48Å
432I52.9Low56.7Low7 Ų750 Ų504%0.03626%0.255CS..  trans-152.8138.3-171.6-70.7-164.1000109.6T409 G412 P415 D429 G452T409-I432 VanDerWaalsContact CB-CD1 3.4Å; T409-I432 HydrophobicContact CG2-CD1 3.51Å; G412-I432 WeakPolarHBondContact O-CG1 3.43Å; G412-I432 WeakPolarHBondContact O-CG2 2.91Å; P415-I432 HydrophobicContact CG-CD1 4.08Å; P415-I432 HydrophobicContact CG-CG2 3.6Å; D429-I432 HydrophobicContact CB-CB 4.36Å; D429-I432 HydrophobicContact CB-CD1 4.03Å; D429-I432 HydrophobicContact CB-CG1 4.42Å; I432-G452 WeakPolarHBondContact O-CA 3.32Å
433E56.2Low56.9Low83 Ų8352.1 Ų52.139%0.38826%0.26SS..SBendtrans-97.2154.4165.6-65.3104-11100112.1G414 E453G414-E433 PolarHBondContact N-O 2.76Å; E433-E453 HydrophobicContact CG-CB 4.44Å
434G55.9Low57.2Low33 Ų3347.7 Ų47.734%0.3425%0.246SC..  trans72.234.3167.100000115.5Q436 E453G434-Q436 PolarHBondContact O-N 3.29Å; G434-Q436 VanDerWaalsContact O-N 3.13Å; G434-E453 PolarHBondContact N-O 2.91Å
435A60.5Low57.6Low10 Ų1046.2 Ų46.28%0.08323%0.233CC..  trans-71.6103.4-176.100000113G454 Q456A435-G454 PolarHBondContact N-O 3.07Å; A435-Q456 PolarHBondContact O-N 2.95Å
436Q62.4Low57.9Low55 Ų5546.4 Ų46.426%0.25723%0.233SC..EExtended strand (participates in β ladder)trans-104.3134.4-179.6-70.5-165.5-11.400115.1Q416 N417 G434 Q456Q416-Q436 HydrophobicContact CG-CB 4.23Å; N417-Q436 PolarHBondContact N-O 2.91Å; G434-Q436 PolarHBondContact O-N 3.29Å; G434-Q436 VanDerWaalsContact O-N 3.13Å; Q436-Q456 HydrophobicContact CG-CB 4.36Å
437N62.9Low58Low2 Ų242.8 Ų42.81%0.01122%0.217CC..EExtended strand (participates in β ladder)trans-130.3120.4175.8-138.4-18000110N417 N447 Q456 N457 Q458N417-N437 WeakPolarHBondContact CB-OD1 3.25Å; N417-N437 PolarHBondContact ND2-OD1 2.7Å; N437-N447 PolarHBondContact ND2-OD1 3.47Å; N437-Q456 PolarHBondContact N-O 2.83Å; N437-N457 WeakPolarHBondContact CB-OD1 2.97Å; N437-N457 WeakPolarHBondContact O-CA 3.16Å; N437-Q458 PolarHBondContact O-N 3.4Å
438Q60.6Low58Low59 Ų5946.3 Ų46.328%0.27623%0.233SC..EExtended strand (participates in β ladder)trans-123.2119-175.5-60.8-168.420.100112.8N417 Q418 G419 Q458N417-Q438 PolarHBondContact O-N 3.3Å; Q418-Q438 WeakPolarHBondContact CA-O 3.39Å; G419-Q438 PolarHBondContact N-O 3.11Å; Q438-Q458 HydrophobicContact CG-CB 4.45Å
439G57.4Low57.9Low5 Ų543.8 Ų43.85%0.05223%0.229CC..EExtended strand (participates in β ladder)trans-114.5122.5-178.900000113.5Q458 K460G439-Q458 PolarHBondContact N-O 2.85Å; G439-K460 PolarHBondContact O-N 2.93Å
440K57.9Low58Low121 Ų12149.5 Ų49.553%0.52625%0.253SS..SBendtrans-75.7-39.4168.9-69.1-157.7177.7-162.80112.3G419 K461G419-K440 PolarHBondContact O-N 3.36Å; K440-K461 PolarHBondContact O-N 3.23Å
441K53.2Low57.7Low72 Ų7250.8 Ų50.831%0.31326%0.258SS..SBendtrans-153.980.9174.2-143.4-163168.6-63.40110.1K421 E443 K461K421-K441 WeakPolarHBondContact CA-O 3.48Å; K421-K441 HydrophobicContact CG-CB 4.19Å; K441-E443 IonicContact NZ-OE1 2.64Å; K441-E443 PolarHBondContact NZ-OE1 3.31Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.38Å; K441-K461 HydrophobicContact CG-CB 4.13Å; K441-K461 WeakPolarHBondContact CG-O 3.24Å
442P51.9Low57.4Low10 Ų1045.9 Ų45.97%0.06524%0.244CC..EExtended strand (participates in β ladder)trans-95.1141171.436-30000110.9T445 G462 E463P442-T445 HydrophobicContact CB-CG2 3.6Å; P442-T445 HydrophobicContact CG-CG2 3.7Å; P442-G462 WeakPolarHBondContact O-CA 3.33Å; P442-E463 PolarHBondContact O-N 3Å
443E51.9Low57.6Low65 Ų6549.8 Ų49.830%0.30426%0.261SS..EExtended strand (participates in β ladder)trans-93.584.6155.6-67.181.1-15300106A424 K441A424-E443 PolarHBondContact N-O 2.96Å; K441-E443 IonicContact NZ-OE1 2.64Å; K441-E443 PolarHBondContact NZ-OE1 3.31Å
444G55.3Low57.7Low24 Ų2447.3 Ų47.325%0.24726%0.258CS..EExtended strand (participates in β ladder)trans90.6123.1-174.900000117.1A425 E463 G464A425-G444 PolarHBondContact N-O 2.67Å; A425-G444 VanDerWaalsContact N-O 3.1Å; G444-E463 WeakPolarHBondContact CA-O 2.93Å; G444-E463 PolarHBondContact N-O 2.94Å; G444-G464 WeakPolarHBondContact CA-O 3.36Å
445T58.5Low58Low7 Ų747 Ų474%0.04325%0.252CS..EExtended strand (participates in β ladder)trans-124.1128162.860.20000111.4A425 P442 G464 Q466A425-T445 HydrophobicContact CB-CG2 4.36Å; P442-T445 HydrophobicContact CB-CG2 3.6Å; P442-T445 HydrophobicContact CG-CG2 3.7Å; T445-G464 PolarHBondContact N-O 2.93Å; T445-Q466 PolarHBondContact O-N 3.15Å
446S61.5Low58.2Low21 Ų2149.1 Ų49.115%0.14726%0.261CS..EExtended strand (participates in β ladder)trans-132.9130.6-177.9-171.20000113.2A425 K427 Q466A425-S446 PolarHBondContact O-N 2.83Å; A425-S446 VanDerWaalsContact O-N 3.11Å; K427-S446 PolarHBondContact N-O 3.12Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å
447N61.9Low58.4Low9 Ų946.6 Ų46.65%0.04825%0.249CC..EExtended strand (participates in β ladder)trans-112129.5168.5-57.6-38.4000110.1N437 N457 Q466 N467 Q468N437-N447 PolarHBondContact ND2-OD1 3.47Å; N447-N457 PolarHBondContact ND2-OD1 2.99Å; N447-Q466 PolarHBondContact N-O 2.85Å; N447-N467 PolarHBondContact ND2-OD1 3.31Å; N447-Q468 PolarHBondContact O-N 3.49Å
448Q61.5Low58.3Low78 Ų7849.6 Ų49.636%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-121.6116.6173-65-174.5-4.800111.1K427 Q428 D429 Q468K427-Q448 PolarHBondContact O-N 2.88Å; Q428-Q448 HydrophobicContact CG-CB 4.48Å; D429-Q448 PolarHBondContact N-O 3.43Å; D429-Q448 VanDerWaalsContact N-O 3.17Å; Q448-Q468 HydrophobicContact CG-CB 4.44Å
449G57.7Low58.2Low27 Ų2747.5 Ų47.528%0.27826%0.257SS..EExtended strand (participates in β ladder)trans-116.6130-176.500000113.7Q468 K470G449-Q468 PolarHBondContact N-O 3.01Å; G449-K470 PolarHBondContact O-N 2.86Å
450K58.6Low58.2Low132 Ų13252.5 Ų52.557%0.57428%0.278SS*.SBendtrans-79.9-36.2172.5-76.6-161.2176.3-167.30113.7
451K55.6Low58.2Low121 Ų12152.7 Ų52.753%0.52628%0.278SS..SBendtrans-154.7140.6172.4-76.2-166.7176.2-1680106.4K431 K471K431-K451 VanDerWaalsContact CA-O 3.28Å; K431-K451 WeakPolarHBondContact CA-O 3.41Å; K431-K451 HydrophobicContact CG-CB 4.41Å; K431-K451 PolarHBondContact N-O 3.48Å; K451-K471 WeakPolarHBondContact CA-O 3.36Å
452G51.9Low58.1Low23 Ų2350 Ų5024%0.23727%0.271CS..  trans150.9148.2174.800000113I432 G472I432-G452 WeakPolarHBondContact O-CA 3.32Å; G452-G472 WeakPolarHBondContact O-CA 3.42Å
453E57.1Low58.3Low88 Ų8853.6 Ų53.641%0.41129%0.287SS..SBendtrans-100154.4179.3-62.4107-112.700112.8E433 G434 E473E433-E453 HydrophobicContact CG-CB 4.44Å; G434-E453 PolarHBondContact N-O 2.91Å; E453-E473 WeakPolarHBondContact CA-O 3.43Å; E453-E473 HydrophobicContact CG-CB 4.47Å
454G57Low58.6Low31 Ų3152.1 Ų52.132%0.3229%0.29SS..  trans70.548.9165.700000115.3A435 E473 G474A435-G454 PolarHBondContact N-O 3.07Å; G454-E473 PolarHBondContact N-O 3.17Å; G454-E473 VanDerWaalsContact N-O 3.07Å; G454-G474 WeakPolarHBondContact CA-O 3.32Å
455A62.7Low58.8Low26 Ų2651.6 Ų51.622%0.21528%0.283CS..EExtended strand (participates in β ladder)trans-79.9118.6176.600000111.6G474 Q476A455-G474 PolarHBondContact N-O 2.97Å; A455-G474 VanDerWaalsContact N-O 3.14Å; A455-Q476 PolarHBondContact O-N 3.41Å
456Q64.7Low59.1Low56 Ų5653.6 Ų53.626%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-125125.7-173.4-67.2-172.7-39.800113.7A435 Q436 N437 Q476A435-Q456 PolarHBondContact O-N 2.95Å; Q436-Q456 HydrophobicContact CG-CB 4.36Å; N437-Q456 PolarHBondContact N-O 2.83Å; Q456-Q476 WeakPolarHBondContact CA-O 3.43Å; Q456-Q476 HydrophobicContact CG-CB 4.41Å
457N65.3Low59.3Low1 Ų152.7 Ų52.71%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-110.7134.4166.8-66-46.2000111.4N437 N447 A465 Q466 N467 Q476 N477 Q478N437-N457 WeakPolarHBondContact CB-OD1 2.97Å; N437-N457 WeakPolarHBondContact O-CA 3.16Å; N447-N457 PolarHBondContact ND2-OD1 2.99Å; N457-A465 HydrophobicContact CB-CB 3.98Å; N457-Q466 PolarHBondContact ND2-O 3.36Å; N457-N467 PolarHBondContact ND2-OD1 3.05Å; N457-Q476 PolarHBondContact N-O 3.15Å; N457-N477 WeakPolarHBondContact CB-OD1 3.38Å; N457-N477 PolarHBondContact ND2-OD1 2.94Å; N457-Q478 PolarHBondContact O-N 3.39Å
458Q61.7Low59.3Low65 Ų6555.5 Ų55.530%0.30430%0.298SS..EExtended strand (participates in β ladder)trans-127.1112.2172.1-61-168.116.700112.3N437 Q438 G439 Q478N437-Q458 PolarHBondContact O-N 3.4Å; Q438-Q458 HydrophobicContact CG-CB 4.45Å; G439-Q458 PolarHBondContact N-O 2.85Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å
459G58.1Low59.2Low16 Ų1652.9 Ų52.917%0.16529%0.289CS..EExtended strand (participates in β ladder)trans-108.6127.4179.100000112.9Q478 K480G459-Q478 PolarHBondContact N-O 3.2Å; G459-K480 PolarHBondContact O-N 3.18Å
460K58.1Low59.4Low109 Ų10958.1 Ų58.147%0.47430%0.304SS..SBendtrans-92.8-31.8178.4-69.3-173.7179.4178.40115G439G439-K460 PolarHBondContact O-N 2.93Å
461K57Low59.4Low125 Ų12557.7 Ų57.754%0.54330%0.302SS..SBendtrans-15987.4177.3-74.6-167.2-179.8-172.50110K440 K441 K481K440-K461 PolarHBondContact O-N 3.23Å; K441-K461 VanDerWaalsContact CA-O 3.31Å; K441-K461 WeakPolarHBondContact CA-O 3.38Å; K441-K461 HydrophobicContact CG-CB 4.13Å; K441-K461 WeakPolarHBondContact CG-O 3.24Å; K461-K481 VanDerWaalsContact CA-O 3.24Å; K461-K481 WeakPolarHBondContact CA-O 3.4Å
462G51.9Low59.2Low16 Ų1652.3 Ų52.317%0.16528%0.281CS..  trans-176.3162-177.600000114.7P442 K481P442-G462 WeakPolarHBondContact O-CA 3.33Å; G462-K481 PolarHBondContact N-O 3.02Å
463E56Low59.5Low85 Ų8555.6 Ų55.640%0.39729%0.29SS..EExtended strand (participates in β ladder)trans-78.9139.7175.2-59.8109.9-123.100111.4P442 G444P442-E463 PolarHBondContact O-N 3Å; G444-E463 WeakPolarHBondContact CA-O 2.93Å; G444-E463 PolarHBondContact N-O 2.94Å
464G58Low59.5Low35 Ų3553.1 Ų53.136%0.36129%0.288SS..EExtended strand (participates in β ladder)trans65106.3159.300000117.6G444 T445 E483G444-G464 WeakPolarHBondContact CA-O 3.36Å; T445-G464 PolarHBondContact N-O 2.93Å; G464-E483 PolarHBondContact N-O 3.26Å
465A60.8Low59.8Low12 Ų1252.3 Ų52.310%0.09928%0.278CS..EExtended strand (participates in β ladder)trans-112121.9164.100000110.8N457 N477 G484 G485 Q486N457-A465 HydrophobicContact CB-CB 3.98Å; A465-N477 HydrophobicContact CB-CB 4.05Å; A465-N477 WeakPolarHBondContact CB-OD1 3.47Å; A465-N477 PolarHBondContact O-ND2 3.36Å; A465-G484 PolarHBondContact N-O 3.39Å; A465-G485 CarbonylContact O-C 3.4Å; A465-G485 WeakPolarHBondContact O-CA 3.39Å; A465-Q486 PolarHBondContact O-N 3.06Å
466Q64.6Low59.9Low49 Ų4953 Ų5323%0.22928%0.277CS..EExtended strand (participates in β ladder)trans-124.9132.4-175.6-164.4-17870.700112.7T445 S446 N447 N457 Q468 Q486T445-Q466 PolarHBondContact O-N 3.15Å; S446-Q466 WeakPolarHBondContact CA-O 3.41Å; N447-Q466 PolarHBondContact N-O 2.85Å; N457-Q466 PolarHBondContact ND2-O 3.36Å; Q466-Q468 HydrophobicContact CG-CG 4.31Å; Q466-Q486 WeakPolarHBondContact CA-O 3.4Å; Q466-Q486 HydrophobicContact CG-CB 4.09Å
467N65Low59.9Low3 Ų350.5 Ų50.52%0.01627%0.265CS..EExtended strand (participates in β ladder)trans-119133.8165.6-65.2-53.8000110N447 N457 A475 Q476 N477 Q486 N487 Q488N447-N467 PolarHBondContact ND2-OD1 3.31Å; N457-N467 PolarHBondContact ND2-OD1 3.05Å; N467-A475 HydrophobicContact CB-CB 4.11Å; N467-Q476 PolarHBondContact ND2-O 3.06Å; N467-N477 PolarHBondContact ND2-OD1 2.91Å; N467-N477 VanDerWaalsContact ND2-OD1 3.13Å; N467-Q486 PolarHBondContact N-O 2.93Å; N467-N487 PolarHBondContact ND2-OD1 3.46Å; N467-N487 VanDerWaalsContact ND2-OD1 3.08Å; N467-Q488 PolarHBondContact O-N 3.01Å; N467-Q488 VanDerWaalsContact O-N 3.07Å
468Q62.5Low59.8Low67 Ų6753.6 Ų53.631%0.31328%0.28SS..EExtended strand (participates in β ladder)trans-126.6121.4170.8-57.4-173.617.300110.8N447 Q448 G449 Q466N447-Q468 PolarHBondContact O-N 3.49Å; Q448-Q468 HydrophobicContact CG-CB 4.44Å; G449-Q468 PolarHBondContact N-O 3.01Å; Q466-Q468 HydrophobicContact CG-CG 4.31Å
469S59.5Low59.6Low24 Ų2451.3 Ų51.317%0.16827%0.272CS..EExtended strand (participates in β ladder)trans-122135.2177.569.60000112.4Q488 K490S469-Q488 PolarHBondContact N-O 3.46Å; S469-Q488 VanDerWaalsContact N-O 3.1Å; S469-K490 PolarHBondContact O-N 3.23Å
470K61.8Low59.7Low137 Ų13756.2 Ų56.260%0.59629%0.289SS*.SBendtrans-86.8-33172.7-75.6-168.7175.8-174.60113.2G449G449-K470 PolarHBondContact O-N 2.86Å
471K58Low59.7Low122 Ų12256.7 Ų56.753%0.5329%0.291SS..SBendtrans-151.5132.2166.4-74.2-166174.6-161.80106.6K451 K491K451-K471 WeakPolarHBondContact CA-O 3.36Å; K471-K491 WeakPolarHBondContact CA-O 3.36Å
472G52Low59.3Low8 Ų851.9 Ų51.98%0.08228%0.277CS..  trans155.5143.4172.600000112.2G452G452-G472 WeakPolarHBondContact O-CA 3.42Å
473E57Low59.5Low93 Ų9356.3 Ų56.344%0.43529%0.293SS..SBendtrans-85.8147.8177.4-6091-10600112.2E453 G454 E493E453-E473 WeakPolarHBondContact CA-O 3.43Å; E453-E473 HydrophobicContact CG-CB 4.47Å; G454-E473 PolarHBondContact N-O 3.17Å; G454-E473 VanDerWaalsContact N-O 3.07Å; E473-E493 HydrophobicContact CG-CB 4.35Å
474G58.6Low59.6Low35 Ų3552.9 Ų52.936%0.36128%0.281SS..  trans71.182.8168.700000115.2G454 A455 E493G454-G474 WeakPolarHBondContact CA-O 3.32Å; A455-G474 PolarHBondContact N-O 2.97Å; A455-G474 VanDerWaalsContact N-O 3.14Å; G474-E493 PolarHBondContact N-O 3.27Å
475A61.8Low59.6Low14 Ų1451.4 Ų51.412%0.11627%0.265CS..EExtended strand (participates in β ladder)trans-102.2120.9167.300000111N467 N487 G494 Q496N467-A475 HydrophobicContact CB-CB 4.11Å; A475-N487 HydrophobicContact CB-CB 4.18Å; A475-G494 PolarHBondContact N-O 3Å; A475-Q496 PolarHBondContact O-N 3.11Å
476Q65.7Low59.7Low42 Ų4254.4 Ų54.420%0.19628%0.277CS..EExtended strand (participates in β ladder)trans-130.2130.9-173.9-162.1-175.744.800113.3A455 Q456 N457 N467 Q496A455-Q476 PolarHBondContact O-N 3.41Å; Q456-Q476 WeakPolarHBondContact CA-O 3.43Å; Q456-Q476 HydrophobicContact CG-CB 4.41Å; N457-Q476 PolarHBondContact N-O 3.15Å; N467-Q476 PolarHBondContact ND2-O 3.06Å; Q476-Q496 WeakPolarHBondContact CA-O 3.22Å; Q476-Q496 HydrophobicContact CG-CB 4.49Å
477N65.1Low59.6Low3 Ų352.2 Ų52.22%0.01627%0.267CS..EExtended strand (participates in β ladder)trans-119135.2167.7-58.4-60.5000110.8N457 A465 N467 Q486 N487 Q496 N497 Q498N457-N477 WeakPolarHBondContact CB-OD1 3.38Å; N457-N477 PolarHBondContact ND2-OD1 2.94Å; A465-N477 HydrophobicContact CB-CB 4.05Å; A465-N477 WeakPolarHBondContact CB-OD1 3.47Å; A465-N477 PolarHBondContact O-ND2 3.36Å; N467-N477 PolarHBondContact ND2-OD1 2.91Å; N467-N477 VanDerWaalsContact ND2-OD1 3.13Å; N477-Q486 PolarHBondContact ND2-O 3.31Å; N477-N487 PolarHBondContact ND2-OD1 3.32Å; N477-Q496 PolarHBondContact N-O 2.98Å; N477-Q496 VanDerWaalsContact N-O 3.14Å; N477-N497 WeakPolarHBondContact CB-OD1 3.43Å; N477-N497 PolarHBondContact ND2-OD1 2.98Å; N477-Q498 PolarHBondContact O-N 3.3Å
478Q61.8Low59.3Low66 Ų6655.7 Ų55.731%0.30828%0.283SS..EExtended strand (participates in β ladder)trans-123.9112.8171.2-58.9-169.51800111.6N457 Q458 G459 Q498N457-Q478 PolarHBondContact O-N 3.39Å; Q458-Q478 HydrophobicContact CG-CB 4.44Å; G459-Q478 PolarHBondContact N-O 3.2Å; Q478-Q498 WeakPolarHBondContact CA-O 3.11Å; Q478-Q498 HydrophobicContact CG-CB 4.44Å
479A59Low59Low17 Ų1753.3 Ų53.314%0.1428%0.275CS..EExtended strand (participates in β ladder)trans-107.9120.3179.500000111.1Q498 K500A479-Q498 PolarHBondContact N-O 2.9Å; A479-K500 PolarHBondContact O-N 3.36Å
480K60.2Low59Low118 Ų11858.6 Ų58.651%0.51330%0.295SS..SBendtrans-89.4-31.5-176.9-128.9171.4-174.1173.60113.9G459 K500G459-K480 PolarHBondContact O-N 3.18Å; K480-K500 HydrophobicContact CG-CD 4.31Å
481K56.9Low58.7Low119 Ų11957.7 Ų57.752%0.51729%0.291SS..SBendtrans-158.2113.4169-68.7-167.7178.6-171.60108.3K461 G462 K501K461-K481 VanDerWaalsContact CA-O 3.24Å; K461-K481 WeakPolarHBondContact CA-O 3.4Å; G462-K481 PolarHBondContact N-O 3.02Å; K481-K501 CarbonylContact C-O 3.56Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.48Å; K481-K501 HydrophobicContact CG-CB 4.47Å
482G49.7Very low58.3Low24 Ų2452.6 Ų52.625%0.24727%0.274CS..SBendtrans142.4166.4177.200000113.6K501 G502G482-K501 PolarHBondContact N-O 3.42Å; G482-G502 VanDerWaalsContact O-CA 3.29Å; G482-G502 WeakPolarHBondContact O-CA 3.37Å
483E55.6Low58.4Low110 Ų11057.3 Ų57.351%0.51429%0.293SS..SBendtrans-54.7140178.8-65.7166.1-14900111.6G464G464-E483 PolarHBondContact N-O 3.26Å
484G57.8Low58.4Low13 Ų1354.6 Ų54.613%0.13429%0.29CS..  trans-83.5-159.4-154.200000117.3A465 E503 G504A465-G484 PolarHBondContact N-O 3.39Å; G484-E503 PolarHBondContact N-O 2.96Å; G484-G504 CarbonylContact C-O 3.25Å; G484-G504 WeakPolarHBondContact CA-O 3.24Å
485G58.2Low58.4Low4 Ų453.3 Ų53.34%0.04128%0.276CS..EExtended strand (participates in β ladder)trans-97.8142.2-169.300000113.3A465 N497 Q506A465-G485 CarbonylContact O-C 3.4Å; A465-G485 WeakPolarHBondContact O-CA 3.39Å; G485-N497 WeakPolarHBondContact CA-OD1 3.3Å; G485-N497 PolarHBondContact O-ND2 3.3Å; G485-N497 VanDerWaalsContact O-ND2 3.17Å; G485-Q506 PolarHBondContact O-N 2.78Å; G485-Q506 VanDerWaalsContact O-N 3.08Å
486Q62.2Low58.4Low75 Ų7554.9 Ų54.935%0.3528%0.281SS..EExtended strand (participates in β ladder)trans-115128.1166-72.1-172.9-0.100110.4A465 Q466 N467 N477 Q506A465-Q486 PolarHBondContact O-N 3.06Å; Q466-Q486 WeakPolarHBondContact CA-O 3.4Å; Q466-Q486 HydrophobicContact CG-CB 4.09Å; N467-Q486 PolarHBondContact N-O 2.93Å; N477-Q486 PolarHBondContact ND2-O 3.31Å; Q486-Q506 WeakPolarHBondContact CA-O 3.45Å; Q486-Q506 HydrophobicContact CG-CB 4.49Å
487N62.6Low58.1Low2 Ų253 Ų531%0.01127%0.272CS..EExtended strand (participates in β ladder)trans-120.8131.1165.2-57.9-63.1000109.8N467 A475 N477 A495 Q496 N497 Q506 N507 Q508N467-N487 PolarHBondContact ND2-OD1 3.46Å; N467-N487 VanDerWaalsContact ND2-OD1 3.08Å; A475-N487 HydrophobicContact CB-CB 4.18Å; N477-N487 PolarHBondContact ND2-OD1 3.32Å; N487-A495 HydrophobicContact CB-CB 4.03Å; N487-Q496 PolarHBondContact ND2-O 2.79Å; N487-N497 PolarHBondContact ND2-OD1 3.03Å; N487-Q506 PolarHBondContact N-O 3.36Å; N487-N507 WeakPolarHBondContact CB-OD1 3.43Å; N487-N507 PolarHBondContact ND2-OD1 3.09Å; N487-Q508 PolarHBondContact O-N 2.83Å; N487-Q508 VanDerWaalsContact O-N 3.11Å
488Q59.9Low57.8Low77 Ų7755.5 Ų55.536%0.3628%0.284SS..EExtended strand (participates in β ladder)trans-124.4114.6171.5-64.1-171.313.600110.6N467 S469N467-Q488 PolarHBondContact O-N 3.01Å; N467-Q488 VanDerWaalsContact O-N 3.07Å; S469-Q488 PolarHBondContact N-O 3.46Å; S469-Q488 VanDerWaalsContact N-O 3.1Å
489A56.6Low57.4Low17 Ų1752.9 Ų52.914%0.1427%0.274CS..EExtended strand (participates in β ladder)trans-113.8121.117800000110.6Q508 K510A489-Q508 PolarHBondContact N-O 3Å; A489-K510 PolarHBondContact O-N 3.02Å
490K59.1Low57.3Low135 Ų13557.2 Ų57.259%0.58729%0.29SS*.SBendtrans-83.5-30.6-179.8-159.5171.1-176.2177.30113S469S469-K490 PolarHBondContact O-N 3.23Å
491K55.2Low56.9Low117 Ų11757.4 Ų57.451%0.50929%0.29SS..SBendtrans-152.5131.7162.4-80.3-164.6173-160.60106.3K471K471-K491 WeakPolarHBondContact CA-O 3.36Å
492G49.6Very low56.4Low16 Ų1652.9 Ų52.917%0.16528%0.277CS..  trans151.4157.7177.600000112.1G512G492-G512 VanDerWaalsContact O-CA 3.28Å; G492-G512 WeakPolarHBondContact O-CA 3.28Å
493E54.8Low56.6Low107 Ų10757.1 Ų57.150%0.529%0.29SS..SBendtrans-97.1146.3-179.2-66.9139-133.400111.2E473 G474 E513E473-E493 HydrophobicContact CG-CB 4.35Å; G474-E493 PolarHBondContact N-O 3.27Å; E493-E513 HydrophobicContact CG-CB 4.04Å; E493-E513 HydrophobicContact CG-CG 4.25Å
494G56.4Low56.5Low36 Ų3653.5 Ų53.537%0.37128%0.283SS..  trans76.395.6168.100000115.4A475 E513 G514A475-G494 PolarHBondContact N-O 3Å; G494-E513 PolarHBondContact N-O 3.46Å; G494-G514 WeakPolarHBondContact CA-O 2.86Å
495A58.2Low56.3Low8 Ų853.6 Ų53.67%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-114117165.600000110.7N487 N507 G514 Q516N487-A495 HydrophobicContact CB-CB 4.03Å; A495-N507 HydrophobicContact CB-CB 4.2Å; A495-G514 PolarHBondContact N-O 3.41Å; A495-G514 VanDerWaalsContact N-O 3.13Å; A495-Q516 PolarHBondContact O-N 2.94Å
496Q61Low56.3Low46 Ų4656 Ų5622%0.21529%0.292CS..EExtended strand (participates in β ladder)trans-127130.8-177.2-166-171.87400113.1A475 Q476 N477 N487 Q498 Q516A475-Q496 PolarHBondContact O-N 3.11Å; Q476-Q496 WeakPolarHBondContact CA-O 3.22Å; Q476-Q496 HydrophobicContact CG-CB 4.49Å; N477-Q496 PolarHBondContact N-O 2.98Å; N477-Q496 VanDerWaalsContact N-O 3.14Å; N487-Q496 PolarHBondContact ND2-O 2.79Å; Q496-Q498 HydrophobicContact CG-CG 4.42Å; Q496-Q516 WeakPolarHBondContact CA-O 3.4Å; Q496-Q516 HydrophobicContact CG-CB 4.5Å
497N60.4Low56.1Low3 Ų352.5 Ų52.52%0.01628%0.276CS..EExtended strand (participates in β ladder)trans-118.2133.8167-65.9-50.9000110.8N477 G485 N487 A505 Q506 N507 Q516 N517 Q518N477-N497 WeakPolarHBondContact CB-OD1 3.43Å; N477-N497 PolarHBondContact ND2-OD1 2.98Å; G485-N497 WeakPolarHBondContact CA-OD1 3.3Å; G485-N497 PolarHBondContact O-ND2 3.3Å; G485-N497 VanDerWaalsContact O-ND2 3.17Å; N487-N497 PolarHBondContact ND2-OD1 3.03Å; N497-A505 HydrophobicContact CB-CB 4.07Å; N497-Q506 PolarHBondContact ND2-O 3.3Å; N497-N507 PolarHBondContact ND2-ND2 3.4Å; N497-N507 PolarHBondContact ND2-OD1 3.01Å; N497-Q516 PolarHBondContact N-O 3.12Å; N497-Q516 VanDerWaalsContact N-O 3.17Å; N497-N517 PolarHBondContact ND2-OD1 2.7Å; N497-Q518 PolarHBondContact O-N 3.19Å
498Q58.1Low55.8Low56 Ų5655.4 Ų55.426%0.26229%0.29SS..EExtended strand (participates in β ladder)trans-122.4113.1170.9-59.7-168.825.200111.4N477 Q478 A479 Q496 Q518N477-Q498 PolarHBondContact O-N 3.3Å; Q478-Q498 WeakPolarHBondContact CA-O 3.11Å; Q478-Q498 HydrophobicContact CG-CB 4.44Å; A479-Q498 PolarHBondContact N-O 2.9Å; Q496-Q498 HydrophobicContact CG-CG 4.42Å; Q498-Q518 WeakPolarHBondContact CA-O 3.49Å
499A54.8Low55.4Low11 Ų1152.3 Ų52.39%0.09128%0.277CS..EExtended strand (participates in β ladder)trans-109120.6178.200000111.1Q518 A519 K520A499-Q518 PolarHBondContact N-O 2.59Å; A499-A519 CarbonylContact O-C 3.56Å; A499-A519 VanDerWaalsContact O-C 3.3Å; A499-A519 VanDerWaalsContact O-CA 3.28Å; A499-A519 WeakPolarHBondContact O-CA 3.45Å; A499-K520 PolarHBondContact O-N 2.95Å
500K56.4Low55.3Low108 Ų10858.5 Ų58.547%0.4730%0.301SS..SBendtrans-93.3-15.9178.7-98.2175.4-179.81690114.7A479 K480 K520A479-K500 PolarHBondContact O-N 3.36Å; K480-K500 HydrophobicContact CG-CD 4.31Å; K500-K520 HydrophobicContact CG-CD 4.43Å; K500-K520 VanDerWaalsContact O-O 3.07Å
501K52.5Low55Low122 Ų12259.1 Ų59.153%0.5330%0.304SS..SBendtrans-170.4105.6165-77.6-153.7177.9-160.60106.8K481 G482K481-K501 CarbonylContact C-O 3.56Å; K481-K501 VanDerWaalsContact CA-O 3.29Å; K481-K501 WeakPolarHBondContact CA-O 3.48Å; K481-K501 HydrophobicContact CG-CB 4.47Å; G482-K501 PolarHBondContact N-O 3.42Å
502G46.6Very low54.5Low23 Ų2354.9 Ų54.924%0.23729%0.293CS..  trans169145.8-177.700000112.9G482G482-G502 VanDerWaalsContact O-CA 3.29Å; G482-G502 WeakPolarHBondContact O-CA 3.37Å
503E52.5Low54.6Low113 Ų11359.2 Ų59.253%0.52831%0.309SS..SBendtrans-79.2152.7177.6-68.8130.3-133.700111.7G484 V523G484-E503 PolarHBondContact N-O 2.96Å; E503-V523 HydrophobicContact CG-CB 4.29Å; E503-V523 HydrophobicContact CG-CG1 3.98Å
504G53.4Low54.5Low35 Ų3555.8 Ų55.836%0.36130%0.302SS..  trans70.8104163.700000115.8G484 E524G484-G504 CarbonylContact C-O 3.25Å; G484-G504 WeakPolarHBondContact CA-O 3.24Å; G504-E524 PolarHBondContact N-O 2.89Å; G504-E524 VanDerWaalsContact N-O 3.15Å
505A55.1Low54.4Low14 Ų1454.4 Ų54.412%0.11629%0.287CS..EExtended strand (participates in β ladder)trans-124.5111.5170.300000109.4N497 N517 G525 Q527N497-A505 HydrophobicContact CB-CB 4.07Å; A505-N517 HydrophobicContact CB-CB 4.29Å; A505-N517 WeakPolarHBondContact CB-OD1 3.43Å; A505-N517 PolarHBondContact O-ND2 3.42Å; A505-G525 PolarHBondContact N-O 3.02Å; A505-Q527 PolarHBondContact O-N 2.79Å
506Q57.3Low54.3Low55 Ų5556.2 Ų56.226%0.25729%0.294SS..EExtended strand (participates in β ladder)trans-120.7127.9-173.5-161-177.25600111.7G485 Q486 N487 N497 Q527G485-Q506 PolarHBondContact O-N 2.78Å; G485-Q506 VanDerWaalsContact O-N 3.08Å; Q486-Q506 WeakPolarHBondContact CA-O 3.45Å; Q486-Q506 HydrophobicContact CG-CB 4.49Å; N487-Q506 PolarHBondContact N-O 3.36Å; N497-Q506 PolarHBondContact ND2-O 3.3Å; Q506-Q527 WeakPolarHBondContact CA-O 3.43Å; Q506-Q527 HydrophobicContact CG-CB 4.13Å
507N58.2Low54Low1 Ų154.1 Ų54.11%0.00528%0.284CS..EExtended strand (participates in β ladder)trans-127134.7173.1-66.5-52.2000110.2N487 A495 N497 V515 N517 Q527 Q529N487-N507 WeakPolarHBondContact CB-OD1 3.43Å; N487-N507 PolarHBondContact ND2-OD1 3.09Å; A495-N507 HydrophobicContact CB-CB 4.2Å; N497-N507 PolarHBondContact ND2-ND2 3.4Å; N497-N507 PolarHBondContact ND2-OD1 3.01Å; N507-V515 HydrophobicContact CB-CG1 3.24Å; N507-N517 PolarHBondContact ND2-OD1 3.38Å; N507-Q527 PolarHBondContact N-O 2.9Å; N507-Q527 VanDerWaalsContact N-O 3.15Å; N507-Q529 PolarHBondContact O-N 3.36Å
508Q55.3Low53.6Low63 Ų6355.9 Ų55.929%0.29429%0.292SS..EExtended strand (participates in β ladder)trans-127.5121.9173.6-62-173.21500111.2N487 A489N487-Q508 PolarHBondContact O-N 2.83Å; N487-Q508 VanDerWaalsContact O-N 3.11Å; A489-Q508 PolarHBondContact N-O 3Å
509A52.4Low53.2Low12 Ų1254.1 Ų54.110%0.09929%0.287CS..EExtended strand (participates in β ladder)trans-121.4119.517600000110.2V515 Q529A509-V515 HydrophobicContact CB-CG2 4.26Å; A509-Q529 PolarHBondContact N-O 2.91Å
510K54.4Low52.9Low147 Ų14758.1 Ų58.164%0.63930%0.303SS*.SBendtrans-84.5-27.1-180-86.9-175.7174.8175.40114.2A489A489-K510 PolarHBondContact O-N 3.02Å
511K51.9Low52.3Low149 Ų14960.4 Ų60.465%0.64831%0.313SS*.SBendtrans-160.1100.2169.8-69.1-166.6178.2-168.60106
512G45.4Very low51.7Low28 Ų2856.3 Ų56.329%0.28931%0.305SS..  trans178.8147.5-174.600000113G492G492-G512 VanDerWaalsContact O-CA 3.28Å; G492-G512 WeakPolarHBondContact O-CA 3.28Å
513E52.6Low51.2Low107 Ų10759 Ų5950%0.532%0.316SS..SBendtrans-89.5154-176-53.3-159.8177.800111.2E493 G494 E534E493-E513 HydrophobicContact CG-CB 4.04Å; E493-E513 HydrophobicContact CG-CG 4.25Å; G494-E513 PolarHBondContact N-O 3.46Å; E513-E534 WeakPolarHBondContact CA-OE2 3.28Å; E513-E534 WeakPolarHBondContact CB-OE2 3.39Å; E513-E534 WeakPolarHBondContact CG-OE2 3.02Å
514G52.4Low50.8Low34 Ų3460.8 Ų60.835%0.35133%0.325SS..  trans61.7100169.800000117.3G494 A495G494-G514 WeakPolarHBondContact CA-O 2.86Å; A495-G514 PolarHBondContact N-O 3.41Å; A495-G514 VanDerWaalsContact N-O 3.13Å
515V53.9Low50.5Low8 Ų860.9 Ų60.95%0.04833%0.326CS..EExtended strand (participates in β ladder)trans-124.6114.9175.3-167.70000111.6N507 A509 N528N507-V515 HydrophobicContact CB-CG1 3.24Å; A509-V515 HydrophobicContact CB-CG2 4.26Å; V515-N528 HydrophobicContact CG1-CB 4.25Å; V515-N528 WeakPolarHBondContact CG1-ND2 3.12Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.3Å; V515-N528 PolarHBondContact O-ND2 3.18Å
516Q55.5Low50.3Low45 Ų4560.9 Ų60.921%0.2133%0.326CS..EExtended strand (participates in β ladder)trans-130.6131.4-171.8-162-170.453.600113.6A495 Q496 N497 Q518A495-Q516 PolarHBondContact O-N 2.94Å; Q496-Q516 WeakPolarHBondContact CA-O 3.4Å; Q496-Q516 HydrophobicContact CG-CB 4.5Å; N497-Q516 PolarHBondContact N-O 3.12Å; N497-Q516 VanDerWaalsContact N-O 3.17Å; Q516-Q518 HydrophobicContact CG-CG 4.43Å; Q516-Q518 VanDerWaalsContact OE1-NE2 3.16Å
517N54.5Low49.8Very low3 Ų363 Ų632%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-117.6133.2169.7-75.4-30.9000109.9N497 A505 N507 N528 Q539N497-N517 PolarHBondContact ND2-OD1 2.7Å; A505-N517 HydrophobicContact CB-CB 4.29Å; A505-N517 WeakPolarHBondContact CB-OD1 3.43Å; A505-N517 PolarHBondContact O-ND2 3.42Å; N507-N517 PolarHBondContact ND2-OD1 3.38Å; N517-N528 PolarHBondContact ND2-OD1 2.9Å; N517-Q539 PolarHBondContact O-N 3.03Å
518Q52.6Low49.5Very low39 Ų3963.2 Ų63.218%0.18234%0.337CS..EExtended strand (participates in β ladder)trans-130118.8172.4-61.2-171.424.900111.8N497 Q498 A499 Q516N497-Q518 PolarHBondContact O-N 3.19Å; Q498-Q518 WeakPolarHBondContact CA-O 3.49Å; A499-Q518 PolarHBondContact N-O 2.59Å; Q516-Q518 HydrophobicContact CG-CG 4.43Å; Q516-Q518 VanDerWaalsContact OE1-NE2 3.16Å
519A48.7Very low49.1Very low20 Ų2065.5 Ų65.517%0.16535%0.347CS..EExtended strand (participates in β ladder)trans-100.2170.6172.100000112.7A499 Q539 A540A499-A519 CarbonylContact O-C 3.56Å; A499-A519 VanDerWaalsContact O-C 3.3Å; A499-A519 VanDerWaalsContact O-CA 3.28Å; A499-A519 WeakPolarHBondContact O-CA 3.45Å; A519-Q539 PolarHBondContact N-O 2.69Å; A519-A540 VanDerWaalsContact C-CB 3.41Å; A519-A540 HydrophobicContact CB-CB 3.68Å; A519-A540 WeakPolarHBondContact O-CB 3.17Å
520K49.5Very low48.8Very low94 Ų9465.4 Ų65.441%0.40935%0.348SS..  trans-146.785.1167.3-62.6-166.1-173.9-166.10111.8A499 K500 K541A499-K520 PolarHBondContact O-N 2.95Å; K500-K520 HydrophobicContact CG-CD 4.43Å; K500-K520 VanDerWaalsContact O-O 3.07Å; K520-K541 HydrophobicContact CG-CD 4.23Å
521K43.7Very low48.3Very low156 Ų15666.5 Ų66.568%0.67835%0.353SS*.SBendtrans77.7131.8-175.1-51.6179.6178-173.90114
522G39.9Very low47.9Very low36 Ų3668.1 Ų68.137%0.37136%0.36SS..  trans98.9123.6171.500000114
523V35.6Very low47.7Very low79 Ų7967.1 Ų67.148%0.47935%0.35SS..  trans43.5117.4136.1-1690000119.3E503E503-V523 HydrophobicContact CG-CB 4.29Å; E503-V523 HydrophobicContact CG-CG1 3.98Å
524E45.2Very low47.2Very low152 Ų15265.7 Ų65.771%0.7134%0.343SS*.  trans51.1146.5146.8-62.3168.2-154.600123.3G504G504-E524 PolarHBondContact N-O 2.89Å; G504-E524 VanDerWaalsContact N-O 3.15Å
525G46.9Very low46.7Very low36 Ų3667.2 Ų67.237%0.37135%0.352SS..  trans93.830.3150.900000118.5A505 Q527A505-G525 PolarHBondContact N-O 3.02Å; G525-Q527 PolarHBondContact O-N 2.76Å; G525-Q527 VanDerWaalsContact O-N 3.17Å
526A49.7Very low46.2Very low14 Ų1467 Ų6712%0.11635%0.35CS..EExtended strand (participates in β ladder)trans-85.277177.200000112.9N538 Q547A526-N538 WeakPolarHBondContact CB-OD1 3.33Å; A526-Q547 WeakPolarHBondContact O-CA 3.36Å; A526-Q547 VanDerWaalsContact O-CG 3.31Å; A526-Q547 WeakPolarHBondContact O-CG 3.47Å
527Q48.4Very low45.7Very low100 Ų10068.8 Ų68.847%0.46736%0.359SS..EExtended strand (participates in β ladder)trans-92.4130.4-178.8-78.3-171.1-7.600113.9A505 Q506 N507 G525A505-Q527 PolarHBondContact O-N 2.79Å; Q506-Q527 WeakPolarHBondContact CA-O 3.43Å; Q506-Q527 HydrophobicContact CG-CB 4.13Å; N507-Q527 PolarHBondContact N-O 2.9Å; N507-Q527 VanDerWaalsContact N-O 3.15Å; G525-Q527 PolarHBondContact O-N 2.76Å; G525-Q527 VanDerWaalsContact O-N 3.17Å
528N51.6Low45.3Very low6 Ų668.6 Ų68.63%0.03236%0.358CS..EExtended strand (participates in β ladder)trans-114149.9162-75.6-0.8000109.6V515 N517 N536 Q547 N548 Q549V515-N528 HydrophobicContact CG1-CB 4.25Å; V515-N528 WeakPolarHBondContact CG1-ND2 3.12Å; V515-N528 WeakPolarHBondContact CG1-OD1 3.3Å; V515-N528 PolarHBondContact O-ND2 3.18Å; N517-N528 PolarHBondContact ND2-OD1 2.9Å; N528-N536 WeakPolarHBondContact CB-OD1 3.25Å; N528-N536 PolarHBondContact ND2-OD1 3.06Å; N528-Q547 HydrophobicContact CB-CG 3.95Å; N528-Q547 PolarHBondContact ND2-NE2 3.3Å; N528-Q547 PolarHBondContact ND2-OE1 3.4Å; N528-N548 VanDerWaalsContact O-O 3.07Å; N528-Q549 HydrophobicContact CB-CG 4.47Å
529Q47.4Very low44.7Very low110 Ų11070 Ų7051%0.51436%0.364SS..EExtended strand (participates in β ladder)trans-140.2121.3164-64.1-174.210.900110N507 A509N507-Q529 PolarHBondContact O-N 3.36Å; A509-Q529 PolarHBondContact N-O 2.91Å
530G44.7Very low44.3Very low11 Ų1169.9 Ų69.911%0.11336%0.364CS..EExtended strand (participates in β ladder)trans-128.4127.5177.800000111.1
531K44Very low44Very low170 Ų17069.5 Ų69.574%0.73936%0.362SS*.SBendtrans-104.4126.7171.6-74-168176.3-173.90109.9G533K531-G533 PolarHBondContact O-N 3.48Å
532K43.1Very low43.7Very low183 Ų18370.8 Ų70.880%0.79637%0.368SS*.SBendtrans61.77.8-162.2-69-161.1171.8-1670115.8K551K532-K551 WeakPolarHBondContact O-CD 3.01Å; K532-K551 WeakPolarHBondContact O-CE 3.27Å; K532-K551 PolarHBondContact O-NZ 2.91Å
533G42.1Very low43.7Very low7 Ų771.3 Ų71.37%0.07237%0.373CS..  trans46.3146.3138.200000121.9K531 Q549 K551K531-G533 PolarHBondContact O-N 3.48Å; G533-Q549 VanDerWaalsContact CA-OE1 3.31Å; G533-K551 WeakPolarHBondContact O-CD 3.42Å; G533-K551 WeakPolarHBondContact O-CE 3.47Å; G533-K551 PolarHBondContact O-NZ 3.29Å
534E42.1Very low43.9Very low76 Ų7668.9 Ų68.936%0.35536%0.356SS..  trans-163-170.4175.1-132.5163.4-101.600112.9E513 N536 Q549E513-E534 WeakPolarHBondContact CA-OE2 3.28Å; E513-E534 WeakPolarHBondContact CB-OE2 3.39Å; E513-E534 WeakPolarHBondContact CG-OE2 3.02Å; E534-N536 PolarHBondContact O-N 2.97Å; E534-N536 VanDerWaalsContact O-N 3.09Å; E534-Q549 PolarHBondContact O-NE2 3.46Å; E534-Q549 PolarHBondContact O-OE1 2.86Å
535A41.4Very low43.7Very low66 Ų6663 Ų6355%0.54534%0.337SS..  trans-38.1112.4-171.900000113.8
536N44.1Very low43.5Very low3 Ų363 Ų632%0.01634%0.336CS..EExtended strand (participates in β ladder)trans-110.779.1-169.5-167.754.1000111.5N528 E534 Q547 Q549 Q557N528-N536 WeakPolarHBondContact CB-OD1 3.25Å; N528-N536 PolarHBondContact ND2-OD1 3.06Å; E534-N536 PolarHBondContact O-N 2.97Å; E534-N536 VanDerWaalsContact O-N 3.09Å; N536-Q547 VanDerWaalsContact C-OE1 3.3Å; N536-Q547 VanDerWaalsContact CG-OE1 3.26Å; N536-Q547 PolarHBondContact ND2-OE1 2.94Å; N536-Q547 PolarHBondContact O-OE1 3.01Å; N536-Q547 PolarHBondContact OD1-OE1 2.97Å; N536-Q549 HydrophobicContact CB-CB 3.78Å; N536-Q549 HydrophobicContact CB-CG 4.11Å; N536-Q549 VanDerWaalsContact CG-CB 3.48Å; N536-Q549 PolarHBondContact ND2-N 3.27Å; N536-Q549 VanDerWaalsContact OD1-CG 3.31Å; N536-Q549 WeakPolarHBondContact OD1-CG 3.46Å; N536-Q549 PolarHBondContact OD1-NE2 3.07Å; N536-Q557 PolarHBondContact ND2-OE1 3.27Å
537Q43.9Very low43.2Very low83 Ų8362.4 Ų62.439%0.38833%0.331SS..EExtended strand (participates in β ladder)trans-100115.3-174.4-163.5-173.981.500112.3Q539 Q547Q537-Q539 HydrophobicContact CG-CG 4.19Å; Q537-Q547 VanDerWaalsContact C-NE2 3.29Å; Q537-Q547 PolarHBondContact O-NE2 3.23Å
538N46.2Very low42.9Very low0 Ų060.2 Ų60.20%032%0.323CS..EExtended strand (participates in β ladder)trans-95.6148.4160.7-125.37.5000108A526 Q547 Q557 N558 Q559A526-N538 WeakPolarHBondContact CB-OD1 3.33Å; N538-Q547 HydrophobicContact CB-CB 4.19Å; N538-Q547 VanDerWaalsContact CB-CD 3.47Å; N538-Q547 HydrophobicContact CB-CG 3.97Å; N538-Q547 VanDerWaalsContact CG-NE2 3.32Å; N538-Q547 VanDerWaalsContact N-OE1 3.08Å; N538-Q547 WeakPolarHBondContact ND2-CG 3.18Å; N538-Q547 PolarHBondContact ND2-N 3.17Å; N538-Q547 VanDerWaalsContact OD1-CD 3.27Å; N538-Q547 WeakPolarHBondContact OD1-CG 3.45Å; N538-Q547 PolarHBondContact OD1-NE2 3Å; N538-Q557 HydrophobicContact CB-CG 4.22Å; N538-N558 CarbonylContact O-C 3.29Å; N538-Q559 VanDerWaalsContact CB-CD 3.4Å; N538-Q559 HydrophobicContact CB-CG 3.84Å; N538-Q559 VanDerWaalsContact CG-NE2 3.27Å; N538-Q559 VanDerWaalsContact ND2-CD 3.35Å; N538-Q559 PolarHBondContact ND2-OE1 2.96Å
539Q39.9Very low42.4Very low67 Ų6760.4 Ų60.431%0.31332%0.324SS..EExtended strand (participates in β ladder)trans-151139.9168-63.5-173.119.900110.7N517 A519 Q537 Q559N517-Q539 PolarHBondContact O-N 3.03Å; A519-Q539 PolarHBondContact N-O 2.69Å; Q537-Q539 HydrophobicContact CG-CG 4.19Å; Q539-Q559 VanDerWaalsContact C-NE2 3.25Å; Q539-Q559 PolarHBondContact O-NE2 3.01Å
540A41.6Very low42Very low18 Ų1857.4 Ų57.415%0.14931%0.313CS..  trans175.8-144.8149.500000117.2A519 E544 K561A519-A540 VanDerWaalsContact C-CB 3.41Å; A519-A540 HydrophobicContact CB-CB 3.68Å; A519-A540 WeakPolarHBondContact O-CB 3.17Å; A540-E544 WeakPolarHBondContact CA-OE2 3.47Å; A540-E544 WeakPolarHBondContact CB-OE1 3.37Å; A540-E544 WeakPolarHBondContact CB-OE2 3.45Å; A540-E544 PolarHBondContact N-OE2 3.42Å; A540-K561 WeakPolarHBondContact O-CG 3.43Å
541K42.1Very low42Very low86 Ų8661.7 Ų61.737%0.37433%0.328SS..SBendtrans-138.3115.8-148.8-67.7103.3-167.6158.50116.7K520 K561K520-K541 HydrophobicContact CG-CD 4.23Å; K541-K561 PolarHBondContact O-NZ 3.47Å
542K38.5Very low41.7Very low184 Ų18460.3 Ų60.380%0.832%0.322SS*.SBendtrans54.5107.8-178.1-66.5-166.2174-171.80117.9K561K542-K561 VanDerWaalsContact C-CD 3.42Å; K542-K561 VanDerWaalsContact N-CD 3.27Å; K542-K561 PolarHBondContact O-NZ 2.93Å
543G39.3Very low41.5Very low46 Ų4653 Ų5347%0.47430%0.298SS..SBendtrans39.5112.4-158.900000120.8K561G543-K561 VanDerWaalsContact C-CE 3.45Å; G543-K561 VanDerWaalsContact N-CD 3.3Å; G543-K561 PolarHBondContact O-NZ 2.97Å
544E39.8Very low41.5Very low28 Ų2853.7 Ų53.713%0.13130%0.3CS..  trans-125.4169.4171.5-118.2122.1-119.100112.6A540 Q559 K561 E564A540-E544 WeakPolarHBondContact CA-OE2 3.47Å; A540-E544 WeakPolarHBondContact CB-OE1 3.37Å; A540-E544 WeakPolarHBondContact CB-OE2 3.45Å; A540-E544 PolarHBondContact N-OE2 3.42Å; E544-Q559 HydrophobicContact CB-CB 4.4Å; E544-Q559 VanDerWaalsContact CD-NE2 3.29Å; E544-Q559 WeakPolarHBondContact OE2-CG 3.48Å; E544-Q559 PolarHBondContact OE2-NE2 2.92Å; E544-K561 HydrophobicContact CB-CD 3.83Å; E544-K561 HydrophobicContact CG-CD 4.48Å; E544-K561 VanDerWaalsContact CG-CE 3.47Å; E544-K561 VanDerWaalsContact N-CD 3.25Å; E544-K561 WeakPolarHBondContact OE1-CE 3.29Å; E544-K561 IonicContact OE1-NZ 3.96Å; E544-K561 PolarHBondContact OE1-NZ 3.37Å; E544-K561 WeakPolarHBondContact OE2-CE 3.43Å; E544-K561 IonicContact OE2-NZ 2.67Å; E544-E564 WeakPolarHBondContact CB-OE2 3.37Å
545G40.7Very low41.5Very low30 Ų3050.9 Ų50.931%0.30929%0.291SS..  trans-109.7141.6165.500000111.6Q559G545-Q559 PolarHBondContact O-OE1 2.94Å
546G42Very low41.6Very low35 Ų3551.5 Ų51.536%0.36129%0.29SS..  trans-69.8148.8-173.900000115.7
547Q43.6Very low41.5Very low2 Ų252.4 Ų52.41%0.00929%0.294CS..  trans-65.5177.6158.5-98.8170.516.400111.1A526 N528 N536 Q537 N538 Q557A526-Q547 WeakPolarHBondContact O-CA 3.36Å; A526-Q547 VanDerWaalsContact O-CG 3.31Å; A526-Q547 WeakPolarHBondContact O-CG 3.47Å; N528-Q547 HydrophobicContact CB-CG 3.95Å; N528-Q547 PolarHBondContact ND2-NE2 3.3Å; N528-Q547 PolarHBondContact ND2-OE1 3.4Å; N536-Q547 VanDerWaalsContact C-OE1 3.3Å; N536-Q547 VanDerWaalsContact CG-OE1 3.26Å; N536-Q547 PolarHBondContact ND2-OE1 2.94Å; N536-Q547 PolarHBondContact O-OE1 3.01Å; N536-Q547 PolarHBondContact OD1-OE1 2.97Å; Q537-Q547 VanDerWaalsContact C-NE2 3.29Å; Q537-Q547 PolarHBondContact O-NE2 3.23Å; N538-Q547 HydrophobicContact CB-CB 4.19Å; N538-Q547 VanDerWaalsContact CB-CD 3.47Å; N538-Q547 HydrophobicContact CB-CG 3.97Å; N538-Q547 VanDerWaalsContact CG-NE2 3.32Å; N538-Q547 VanDerWaalsContact N-OE1 3.08Å; N538-Q547 WeakPolarHBondContact ND2-CG 3.18Å; N538-Q547 PolarHBondContact ND2-N 3.17Å; N538-Q547 VanDerWaalsContact OD1-CD 3.27Å; N538-Q547 WeakPolarHBondContact OD1-CG 3.45Å; N538-Q547 PolarHBondContact OD1-NE2 3Å; Q547-Q557 HydrophobicContact CB-CG 3.94Å; Q547-Q557 VanDerWaalsContact CB-OE1 3.25Å; Q547-Q557 VanDerWaalsContact N-NE2 3.15Å; Q547-Q557 VanDerWaalsContact O-CD 3.3Å; Q547-Q557 PolarHBondContact O-NE2 3.05Å; Q547-Q557 PolarHBondContact O-OE1 3.45Å
548N42.5Very low41.5Very low54 Ų5451.8 Ų51.829%0.28929%0.293SS..  trans-143.5155.3156.6-106.7-63000109.8N528 Q567N528-N548 VanDerWaalsContact O-O 3.07Å; N548-Q567 PolarHBondContact ND2-O 3.06Å
549Q41.8Very low41.2Very low10 Ų1052.9 Ų52.95%0.04730%0.298CS..  trans-154.6135.3159.7-103.1-161.477.900109.9N528 G533 E534 N536N528-Q549 HydrophobicContact CB-CG 4.47Å; G533-Q549 VanDerWaalsContact CA-OE1 3.31Å; E534-Q549 PolarHBondContact O-NE2 3.46Å; E534-Q549 PolarHBondContact O-OE1 2.86Å; N536-Q549 HydrophobicContact CB-CB 3.78Å; N536-Q549 HydrophobicContact CB-CG 4.11Å; N536-Q549 VanDerWaalsContact CG-CB 3.48Å; N536-Q549 PolarHBondContact ND2-N 3.27Å; N536-Q549 VanDerWaalsContact OD1-CG 3.31Å; N536-Q549 WeakPolarHBondContact OD1-CG 3.46Å; N536-Q549 PolarHBondContact OD1-NE2 3.07Å
550T37.7Very low41.2Very low46 Ų4651.7 Ų51.728%0.28230%0.304SS..  trans-137.5118.9-170.758.60000111.5D570T550-D570 WeakPolarHBondContact CB-OD2 3.48Å; T550-D570 HydrophobicContact CG2-CB 3.63Å; T550-D570 PolarHBondContact OG1-OD2 3.14Å
551K46.1Very low41.3Very low101 Ų10152 Ų5244%0.43930%0.302SS..SBendtrans-112.4-18.7-178.3-170.3170.8-177.6156.10112.6K532 G533 G553K532-K551 WeakPolarHBondContact O-CD 3.01Å; K532-K551 WeakPolarHBondContact O-CE 3.27Å; K532-K551 PolarHBondContact O-NZ 2.91Å; G533-K551 WeakPolarHBondContact O-CD 3.42Å; G533-K551 WeakPolarHBondContact O-CE 3.47Å; G533-K551 PolarHBondContact O-NZ 3.29Å; K551-G553 WeakPolarHBondContact CB-O 3.48Å
552K36.8Very low40.8Very low141 Ų14152.5 Ų52.561%0.61330%0.304SS*.SBend48.4102-119-65.7177.4178.7175.50109.3K571 K572K552-K571 HydrophobicContact CG-CB 4.05Å; K552-K572 CarbonylContact C-O 3.59Å
553G40Very low40.7Very low29 Ų2944.6 Ų44.630%0.29928%0.275SS..SBendtrans109.272.2-162.700000111.4K551 K572K551-G553 WeakPolarHBondContact CB-O 3.48Å; G553-K572 PolarHBondContact N-O 3.29Å
554E41Very low40.7Very low23 Ų2343.8 Ų43.811%0.10726%0.259CS..PPolyproline II helixtrans-80.9134.6177.3-47.2-172.9164.500112.1K568 D570 I573E554-K568 WeakPolarHBondContact OE2-CD 3.01Å; E554-K568 IonicContact OE2-NZ 3.37Å; E554-K568 PolarHBondContact OE2-NZ 2.74Å; E554-K568 VanDerWaalsContact OE2-NZ 3.17Å; E554-D570 PolarHBondContact OE1-N 3.48Å; E554-I573 HydrophobicContact CB-CB 4.42Å; E554-I573 HydrophobicContact CB-CG2 3.83Å; E554-I573 HydrophobicContact CG-CG2 4.2Å; E554-I573 VanDerWaalsContact O-CD1 3.25Å; E554-I573 WeakPolarHBondContact O-CD1 3.41Å
555G43.4Very low40.6Very low17 Ų1746.6 Ų46.618%0.17529%0.287CS..PPolyproline II helixtrans-70.5132.3159.700000110.5K568G555-K568 PolarHBondContact O-NZ 2.79Å
556P42Very low40.9Very low78 Ų7846.6 Ų46.651%0.50628%0.284SS..PPolyproline II helixtrans-67161.1170.729.4-34.4000111.1
557Q41.7Very low40.8Very low22 Ų2252 Ų5210%0.10330%0.3CS..  trans-150.1123.6-154.5175.6-169.5-6200110.1N536 N538 Q547N536-Q557 PolarHBondContact ND2-OE1 3.27Å; N538-Q557 HydrophobicContact CB-CG 4.22Å; Q547-Q557 HydrophobicContact CB-CG 3.94Å; Q547-Q557 VanDerWaalsContact CB-OE1 3.25Å; Q547-Q557 VanDerWaalsContact N-NE2 3.15Å; Q547-Q557 VanDerWaalsContact O-CD 3.3Å; Q547-Q557 PolarHBondContact O-NE2 3.05Å; Q547-Q557 PolarHBondContact O-OE1 3.45Å
558N44.7Very low40.9Very low70 Ų7053.5 Ų53.537%0.37431%0.306SS..  trans-128.288.9-159.2-92.9-73.7000114.2N538 Q577N538-N558 CarbonylContact O-C 3.29Å; N558-Q577 PolarHBondContact OD1-O 2.87Å
559Q41Very low40.8Very low23 Ų2357.2 Ų57.211%0.10732%0.322CS..  trans-115.4129157.4-79.1164.8-31.600108.8N538 Q539 E544 G545 E564N538-Q559 VanDerWaalsContact CB-CD 3.4Å; N538-Q559 HydrophobicContact CB-CG 3.84Å; N538-Q559 VanDerWaalsContact CG-NE2 3.27Å; N538-Q559 VanDerWaalsContact ND2-CD 3.35Å; N538-Q559 PolarHBondContact ND2-OE1 2.96Å; Q539-Q559 VanDerWaalsContact C-NE2 3.25Å; Q539-Q559 PolarHBondContact O-NE2 3.01Å; E544-Q559 HydrophobicContact CB-CB 4.4Å; E544-Q559 VanDerWaalsContact CD-NE2 3.29Å; E544-Q559 WeakPolarHBondContact OE2-CG 3.48Å; E544-Q559 PolarHBondContact OE2-NE2 2.92Å; G545-Q559 PolarHBondContact O-OE1 2.94Å; Q559-E564 VanDerWaalsContact C-CD 3.48Å; Q559-E564 VanDerWaalsContact CB-CD 3.48Å; Q559-E564 WeakPolarHBondContact CB-OE1 3.25Å; Q559-E564 WeakPolarHBondContact CB-OE2 3.5Å
560G38.1Very low40.7Very low42 Ų4259.4 Ų59.443%0.43333%0.334SS..  trans-146.744.4-15800000111.8K562 E564G560-K562 PolarHBondContact O-N 2.76Å; G560-E564 PolarHBondContact N-OE1 2.75Å
561K45.1Very low41.1Very low25 Ų2564.1 Ų64.111%0.10935%0.351CS..SBendtrans-67.15.3-168.1-71.3168.8160.1-130.60116.9A540 K541 K542 G543 E544 E564A540-K561 WeakPolarHBondContact O-CG 3.43Å; K541-K561 PolarHBondContact O-NZ 3.47Å; K542-K561 VanDerWaalsContact C-CD 3.42Å; K542-K561 VanDerWaalsContact N-CD 3.27Å; K542-K561 PolarHBondContact O-NZ 2.93Å; G543-K561 VanDerWaalsContact C-CE 3.45Å; G543-K561 VanDerWaalsContact N-CD 3.3Å; G543-K561 PolarHBondContact O-NZ 2.97Å; E544-K561 HydrophobicContact CB-CD 3.83Å; E544-K561 HydrophobicContact CG-CD 4.48Å; E544-K561 VanDerWaalsContact CG-CE 3.47Å; E544-K561 VanDerWaalsContact N-CD 3.25Å; E544-K561 WeakPolarHBondContact OE1-CE 3.29Å; E544-K561 IonicContact OE1-NZ 3.96Å; E544-K561 PolarHBondContact OE1-NZ 3.37Å; E544-K561 WeakPolarHBondContact OE2-CE 3.43Å; E544-K561 IonicContact OE2-NZ 2.67Å; K561-E564 WeakPolarHBondContact CB-OE1 3.03Å; K561-E564 WeakPolarHBondContact CD-OE1 3.19Å; K561-E564 WeakPolarHBondContact CG-OE1 3.33Å; K561-E564 PolarHBondContact N-OE1 3.26Å; K561-E564 VanDerWaalsContact N-OE1 3.09Å
562K32Very low40.8Very low97 Ų9764 Ų6442%0.42235%0.35SS..SBend59.2120-126.4-66.2-164-177.9-110.90112.6G560 K581 K582G560-K562 PolarHBondContact O-N 2.76Å; K562-K581 HydrophobicContact CD-CB 4.18Å; K562-K581 VanDerWaalsContact CE-CB 3.48Å; K562-K581 HydrophobicContact CG-CB 3.79Å; K562-K581 PolarHBondContact NZ-O 2.98Å; K562-K582 WeakPolarHBondContact CA-O 3.32Å; K562-K582 HydrophobicContact CB-CB 4.01Å; K562-K582 HydrophobicContact CD-CB 4.23Å; K562-K582 HydrophobicContact CD-CD 4.27Å; K562-K582 HydrophobicContact CD-CG 4.23Å; K562-K582 HydrophobicContact CG-CB 4.02Å
563G35.1Very low41.2Very low18 Ų1861 Ų6119%0.18634%0.34CS..  trans71.7101162.300000116K582 E584G563-K582 PolarHBondContact N-O 2.62Å; G563-E584 VanDerWaalsContact CA-CD 3.5Å; G563-E584 WeakPolarHBondContact CA-OE2 3.47Å
564E40.5Very low41.1Very low29 Ų2962.9 Ų62.914%0.13634%0.341CS..  trans-153.4143.8174.6-60.7-179.3-133.900109.4E544 Q559 G560 K561E544-E564 WeakPolarHBondContact CB-OE2 3.37Å; Q559-E564 VanDerWaalsContact C-CD 3.48Å; Q559-E564 VanDerWaalsContact CB-CD 3.48Å; Q559-E564 WeakPolarHBondContact CB-OE1 3.25Å; Q559-E564 WeakPolarHBondContact CB-OE2 3.5Å; G560-E564 PolarHBondContact N-OE1 2.75Å; K561-E564 WeakPolarHBondContact CB-OE1 3.03Å; K561-E564 WeakPolarHBondContact CD-OE1 3.19Å; K561-E564 WeakPolarHBondContact CG-OE1 3.33Å; K561-E564 PolarHBondContact N-OE1 3.26Å; K561-E564 VanDerWaalsContact N-OE1 3.09Å
565A36.8Very low41.2Very low86 Ų8664.3 Ų64.371%0.71136%0.362SS*.  trans-97.7120.217600000110.6
566A46.5Very low41.5Very low31 Ų3165 Ų6526%0.25637%0.366SS..  trans-104.5113178.200000111T586A566-T586 HydrophobicContact CB-CG2 4.01Å
567Q40.1Very low41.6Very low148 Ų14865.9 Ų65.969%0.69236%0.363SS*.EExtended strand (participates in β ladder)trans-109.6115.2179.5-176.5-178.662.300109.1N548N548-Q567 PolarHBondContact ND2-O 3.06Å
568K46.4Very low42Very low33 Ų3366 Ų6614%0.14337%0.365CS..EExtended strand (participates in β ladder)trans-129.3149.3-175.7-72.3-143.5178.9-176.40112.2E554 G555E554-K568 WeakPolarHBondContact OE2-CD 3.01Å; E554-K568 IonicContact OE2-NZ 3.37Å; E554-K568 PolarHBondContact OE2-NZ 2.74Å; E554-K568 VanDerWaalsContact OE2-NZ 3.17Å; G555-K568 PolarHBondContact O-NZ 2.79Å
569Q39.8Very low42Very low132 Ų13268.4 Ų68.462%0.61737%0.374SS*.  trans-157.566.7-157.4-163.8-177.977.300115.4
570D40.7Very low42.3Very low57 Ų5768.4 Ų68.431%0.30538%0.38SS..  trans-155.6175158.8-136.2-39000116.4T550 E554 K572T550-D570 WeakPolarHBondContact CB-OD2 3.48Å; T550-D570 HydrophobicContact CG2-CB 3.63Å; T550-D570 PolarHBondContact OG1-OD2 3.14Å; E554-D570 PolarHBondContact OE1-N 3.48Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.11Å
571K46.1Very low42.7Very low145 Ų14573.2 Ų73.263%0.6339%0.389SS*.SBendtrans-74.3-0.7-148.4-74.4159.4-178.2162.90117.5K552K552-K571 HydrophobicContact CG-CB 4.05Å
572K40.2Very low42.8Very low99 Ų9975.6 Ų75.643%0.4340%0.399SS..  trans-174.3126.6161.6-154.9174.9-171.8-95.20111.6K552 G553 D570 E574K552-K572 CarbonylContact C-O 3.59Å; G553-K572 PolarHBondContact N-O 3.29Å; D570-K572 VanDerWaalsContact C-N 3.32Å; D570-K572 PolarHBondContact O-N 3.11Å; K572-E574 VanDerWaalsContact CE-OE1 3.25Å; K572-E574 WeakPolarHBondContact CE-OE1 3.36Å; K572-E574 IonicContact NZ-OE1 2.75Å; K572-E574 PolarHBondContact NZ-OE1 3.11Å; K572-E574 IonicContact NZ-OE2 2.62Å; K572-E574 PolarHBondContact NZ-OE2 3.37Å
573I45.1Very low43.7Very low78 Ų7871.5 Ų71.540%0.438%0.382SS..  -153.8175.1129-136.9-172.1000109.5E554E554-I573 HydrophobicContact CB-CB 4.42Å; E554-I573 HydrophobicContact CB-CG2 3.83Å; E554-I573 HydrophobicContact CG-CG2 4.2Å; E554-I573 VanDerWaalsContact O-CD1 3.25Å; E554-I573 WeakPolarHBondContact O-CD1 3.41Å
574E37.8Very low44.4Very low67 Ų6773.2 Ų73.231%0.31339%0.386SS..  trans-132.9135.1-170.2-70.3151.8159.100106.9K572 K592 E594K572-E574 VanDerWaalsContact CE-OE1 3.25Å; K572-E574 WeakPolarHBondContact CE-OE1 3.36Å; K572-E574 IonicContact NZ-OE1 2.75Å; K572-E574 PolarHBondContact NZ-OE1 3.11Å; K572-E574 IonicContact NZ-OE2 2.62Å; K572-E574 PolarHBondContact NZ-OE2 3.37Å; E574-K592 WeakPolarHBondContact OE1-CD 3.1Å; E574-K592 IonicContact OE1-NZ 3.82Å; E574-K592 PolarHBondContact OE1-NZ 3.06Å; E574-E594 VanDerWaalsContact CB-OE2 3.31Å; E574-E594 WeakPolarHBondContact CB-OE2 3.44Å; E574-E594 WeakPolarHBondContact CG-OE1 3.03Å
575G42.9Very low44.8Very low53 Ų5373.4 Ų73.455%0.54640%0.395SS..  trans93.6114179.600000117.2
576A48.6Very low45.5Very low33 Ų3369.9 Ų69.927%0.27337%0.365SS..  trans-139.5135.7170.600000111.8A596 Q597A576-A596 HydrophobicContact CB-CB 4.28Å; A576-A596 VanDerWaalsContact O-CA 3.31Å; A576-A596 WeakPolarHBondContact O-CA 3.41Å; A576-Q597 PolarHBondContact O-N 3.43Å
577Q44.7Very low45.6Very low95 Ų9570.2 Ų70.244%0.44437%0.365SS..EExtended strand (participates in β ladder)trans-116.5135.1174.9-76.2-168.9-24.600110.9N558N558-Q577 PolarHBondContact OD1-O 2.87Å
578N49.9Very low46.3Very low26 Ų2664.7 Ų64.714%0.13934%0.341CS..EExtended strand (participates in β ladder)trans-124.9109.6170.4-66.9-47.9000109.8P583 T586 Q597N578-P583 HydrophobicContact CB-CB 4.05Å; N578-T586 WeakPolarHBondContact ND2-CG2 3.19Å; N578-Q597 PolarHBondContact N-O 3.31Å
579Q44.9Very low46.5Very low120 Ų12068 Ų6856%0.56136%0.357SS*.EExtended strand (participates in β ladder)trans-101.9126.8178.8-61-172.716.700111.3
580G46.8Very low47.1Very low22 Ų2263 Ų6323%0.22734%0.341CS..SBendtrans-179.6169.3175.600000117.3K582 P583 Q599 G600G580-K582 PolarHBondContact O-N 3Å; G580-P583 VanDerWaalsContact O-CD 3.31Å; G580-P583 WeakPolarHBondContact O-CD 3.49Å; G580-Q599 PolarHBondContact N-O 2.73Å; G580-G600 WeakPolarHBondContact O-CA 3.29Å
581K47.7Very low47.7Very low143 Ų14367.5 Ų67.562%0.62236%0.357SS*.SBendtrans-761.5173.3-68.5176.5-179.9172.50113.4K562K562-K581 HydrophobicContact CD-CB 4.18Å; K562-K581 VanDerWaalsContact CE-CB 3.48Å; K562-K581 HydrophobicContact CG-CB 3.79Å; K562-K581 PolarHBondContact NZ-O 2.98Å
582K46.9Very low47.9Very low76 Ų7664.1 Ų64.133%0.3334%0.342SS..SBendtrans-172.887.8170.1-88.6-175121.5-144.90105.8K562 G563 G580 E584K562-K582 WeakPolarHBondContact CA-O 3.32Å; K562-K582 HydrophobicContact CB-CB 4.01Å; K562-K582 HydrophobicContact CD-CB 4.23Å; K562-K582 HydrophobicContact CD-CD 4.27Å; K562-K582 HydrophobicContact CD-CG 4.23Å; K562-K582 HydrophobicContact CG-CB 4.02Å; G563-K582 PolarHBondContact N-O 2.62Å; G580-K582 PolarHBondContact O-N 3Å; K582-E584 VanDerWaalsContact CD-OE1 3.3Å; K582-E584 WeakPolarHBondContact CD-OE1 3.45Å; K582-E584 WeakPolarHBondContact CE-OE1 3Å; K582-E584 IonicContact NZ-OE1 3.56Å; K582-E584 PolarHBondContact NZ-OE1 3.03Å
583P49.7Very low48.6Very low10 Ų1059.7 Ų59.77%0.06533%0.325CS..  trans-67.8139.6150.228.2-34.6000109.3N578 G580 N598 K602N578-P583 HydrophobicContact CB-CB 4.05Å; G580-P583 VanDerWaalsContact O-CD 3.31Å; G580-P583 WeakPolarHBondContact O-CD 3.49Å; P583-N598 HydrophobicContact CG-CB 4.25Å; P583-K602 VanDerWaalsContact CD-O 3.32Å; P583-K602 WeakPolarHBondContact CD-O 3.47Å
584E49.6Very low49.1Very low55 Ų5558.4 Ų58.426%0.25732%0.317SS..  trans-123.7152.2174.6-74.2156.6-158.700106.2G563 K582G563-E584 VanDerWaalsContact CA-CD 3.5Å; G563-E584 WeakPolarHBondContact CA-OE2 3.47Å; K582-E584 VanDerWaalsContact CD-OE1 3.3Å; K582-E584 WeakPolarHBondContact CD-OE1 3.45Å; K582-E584 WeakPolarHBondContact CE-OE1 3Å; K582-E584 IonicContact NZ-OE1 3.56Å; K582-E584 PolarHBondContact NZ-OE1 3.03Å
585G49.2Very low49.9Very low33 Ų3356.1 Ų56.134%0.3431%0.312SS..  trans-65147.7-153.200000117.6
586T51.8Low50.5Low12 Ų1253.7 Ų53.77%0.07429%0.286CS..  trans-86.4145167.739.40000112A566 N578 A606 Q607A566-T586 HydrophobicContact CB-CG2 4.01Å; N578-T586 WeakPolarHBondContact ND2-CG2 3.19Å; T586-A606 WeakPolarHBondContact O-CA 3.3Å; T586-A606 WeakPolarHBondContact OG1-CB 3.32Å; T586-Q607 PolarHBondContact O-N 2.62Å
587S49.7Very low50.8Low38 Ų3854.9 Ų54.927%0.26629%0.286SS..EExtended strand (participates in β ladder)trans-110.9118.6171.1-169.40000110.5
588N53.7Low51.5Low32 Ų3250.3 Ų50.317%0.17127%0.265CS..EExtended strand (participates in β ladder)trans-113.3114.6-175.9-71.5-22000110.3E594 Q607 N608 Q609N588-E594 PolarHBondContact ND2-O 3.4Å; N588-Q607 PolarHBondContact N-O 2.9Å; N588-N608 WeakPolarHBondContact CB-OD1 3.12Å; N588-N608 PolarHBondContact ND2-OD1 3.28Å; N588-Q609 PolarHBondContact O-N 2.89Å
589Q51.3Low51.8Low103 Ų10353 Ų5348%0.48128%0.277SS..EExtended strand (participates in β ladder)trans-114.7109.9176.8-67.1-176.5-15.700110.6Q609Q589-Q609 HydrophobicContact CG-CB 4.48Å
590G51.1Low52.3Low27 Ų2748.3 Ų48.328%0.27826%0.26SS..EExtended strand (participates in β ladder)trans-166.6175.4-170.300000117Q609 G610G590-Q609 PolarHBondContact N-O 3.4Å; G590-Q609 VanDerWaalsContact N-O 3.09Å; G590-G610 WeakPolarHBondContact O-CA 3.41Å
591K53.5Low52.9Low151 Ų15153.7 Ų53.766%0.65728%0.278SS*.EExtended strand (participates in β ladder)trans-71.7-43.4174.7-82.8-172.3176.8-178.40111.8K611 K612K591-K611 WeakPolarHBondContact O-CB 3.34Å; K591-K611 PolarHBondContact O-N 2.82Å; K591-K612 PolarHBondContact O-N 2.92Å
592K51.5Low53.4Low73 Ų7349.5 Ų49.532%0.31726%0.259SS..EExtended strand (participates in β ladder)trans-113143.3156.9-62.2-177.783.3-146.40106.4E574 E594E574-K592 WeakPolarHBondContact OE1-CD 3.1Å; E574-K592 IonicContact OE1-NZ 3.82Å; E574-K592 PolarHBondContact OE1-NZ 3.06Å; K592-E594 IonicContact NZ-OE1 2.65Å; K592-E594 PolarHBondContact NZ-OE1 3.46Å
593G53.9Low53.9Low6 Ų645.9 Ų45.96%0.06224%0.244CC..EExtended strand (participates in β ladder)trans-131.7122.8162.800000108.1K612 G613 E614G593-K612 PolarHBondContact N-O 3.21Å; G593-G613 WeakPolarHBondContact O-CA 3.36Å; G593-E614 PolarHBondContact O-N 3.46Å
594E55.7Low54.5Low51 Ų5147.6 Ų47.624%0.23825%0.251CS..  trans-106.1142.4176-74.8170.8-156.600109.4E574 N588 K592 E614E574-E594 VanDerWaalsContact CB-OE2 3.31Å; E574-E594 WeakPolarHBondContact CB-OE2 3.44Å; E574-E594 WeakPolarHBondContact CG-OE1 3.03Å; N588-E594 PolarHBondContact ND2-O 3.4Å; K592-E594 IonicContact NZ-OE1 2.65Å; K592-E594 PolarHBondContact NZ-OE1 3.46Å; E594-E614 HydrophobicContact CG-CB 4.25Å
595G54Low54.8Low20 Ų2045.8 Ų45.821%0.20625%0.247CC..PPolyproline II helixtrans-65.5149.1-172.700000113.2E614G595-E614 WeakPolarHBondContact CA-O 3.49Å; G595-E614 PolarHBondContact N-O 3.03Å
596A56.6Low55.4Low1 Ų144.3 Ų44.31%0.00823%0.231CC..PPolyproline II helixtrans-75.2151.6170.800000111.3A576 A616 Q617A576-A596 HydrophobicContact CB-CB 4.28Å; A576-A596 VanDerWaalsContact O-CA 3.31Å; A576-A596 WeakPolarHBondContact O-CA 3.41Å; A596-A616 WeakPolarHBondContact O-CA 3.39Å; A596-A616 WeakPolarHBondContact O-CB 3.21Å; A596-Q617 PolarHBondContact O-N 3.47Å
597Q54.6Low55.8Low58 Ų5846.8 Ų46.827%0.27124%0.242SC..EExtended strand (participates in β ladder)trans-93.5117.3167.6-164-172.228.300109.5A576 N578 Q617A576-Q597 PolarHBondContact O-N 3.43Å; N578-Q597 PolarHBondContact N-O 3.31Å; Q597-Q617 HydrophobicContact CG-CB 4.32Å
598N59.4Low56.5Low0 Ų045 Ų450%023%0.229CC..EExtended strand (participates in β ladder)trans-112.2118-177.1-68.4-39.2000110.8P583 E604 Q617 N618 Q619P583-N598 HydrophobicContact CG-CB 4.25Å; N598-E604 PolarHBondContact ND2-O 3.15Å; N598-Q617 PolarHBondContact N-O 3.42Å; N598-N618 WeakPolarHBondContact CB-OD1 3.47Å; N598-N618 PolarHBondContact ND2-OD1 3.16Å; N598-Q619 PolarHBondContact O-N 2.96Å
599Q55.5Low56.8Low83 Ų8346.4 Ų46.439%0.38824%0.235SC..EExtended strand (participates in β ladder)trans-118.4120.8175.8-62.5-1778.300110.2G580G580-Q599 PolarHBondContact N-O 2.73Å
600G57.1Low57.4Low20 Ų2042.6 Ų42.621%0.20622%0.223CC..EExtended strand (participates in β ladder)trans-178.3179-175.600000117.1G580 Q619 G620G580-G600 WeakPolarHBondContact O-CA 3.29Å; G600-Q619 PolarHBondContact N-O 3.48Å; G600-Q619 VanDerWaalsContact N-O 3.15Å; G600-G620 WeakPolarHBondContact O-CA 3.37Å
601K58.5Low58.2Low136 Ų13647.8 Ų47.859%0.59124%0.238SC*.EExtended strand (participates in β ladder)trans-72.8-35.9175.3-78.5-170.1176.5-177.50112.4K621 K622K601-K621 WeakPolarHBondContact O-CB 3.43Å; K601-K621 PolarHBondContact O-N 2.67Å; K601-K622 PolarHBondContact O-N 2.78Å
602K57.6Low58.6Low55 Ų5543.5 Ų43.524%0.23922%0.219CC..EExtended strand (participates in β ladder)trans-116.1142.5155.8-80.5178.4116.4-73.20105.8P583 E604 K622 E624P583-K602 VanDerWaalsContact CD-O 3.32Å; P583-K602 WeakPolarHBondContact CD-O 3.47Å; K602-E604 IonicContact NZ-OE1 3.81Å; K602-E604 PolarHBondContact NZ-OE1 2.73Å; K602-K622 WeakPolarHBondContact CA-O 3.14Å; K602-K622 HydrophobicContact CG-CB 4.14Å; K602-K622 HydrophobicContact CG-CD 4.34Å; K602-E624 IonicContact NZ-OE1 2.67Å; K602-E624 PolarHBondContact NZ-OE1 2.66Å; K602-E624 IonicContact NZ-OE2 3.31Å; K602-E624 PolarHBondContact NZ-OE2 2.71Å
603G58.7Low59.1Low0 Ų040 Ų400%021%0.205CC..EExtended strand (participates in β ladder)trans-129129.9161.900000108.8K622 G623 E624G603-K622 PolarHBondContact N-O 3.07Å; G603-G623 WeakPolarHBondContact O-CA 3.07Å; G603-E624 PolarHBondContact O-N 3.04Å
604E60.9Low59.7Low45 Ų4541.7 Ų41.721%0.2121%0.211CC..EExtended strand (participates in β ladder)trans-115.3131.4-177.6-71.9158.9-14500108.2N598 K602 E624N598-E604 PolarHBondContact ND2-O 3.15Å; K602-E604 IonicContact NZ-OE1 3.81Å; K602-E604 PolarHBondContact NZ-OE1 2.73Å; E604-E624 HydrophobicContact CG-CB 4.33Å; E604-E624 WeakPolarHBondContact CG-OE2 3.41Å
605G57Low60Low18 Ų1840.3 Ų40.319%0.18621%0.21CC..  trans-65.5159.4-167.900000114.7E624G605-E624 WeakPolarHBondContact CA-O 3.32Å; G605-E624 PolarHBondContact N-O 3.38Å
606A62.4Low60.5Low1 Ų139.4 Ų39.41%0.00820%0.201CC..  trans-76.7154.1171.900000111.6T586 A616 A626 Q627T586-A606 WeakPolarHBondContact O-CA 3.3Å; T586-A606 WeakPolarHBondContact OG1-CB 3.32Å; A606-A616 HydrophobicContact CB-CB 4.38Å; A606-A626 WeakPolarHBondContact O-CA 3.36Å; A606-A626 WeakPolarHBondContact O-CB 3.37Å; A606-Q627 PolarHBondContact O-N 3.43Å; A606-Q627 VanDerWaalsContact O-N 3.08Å
607Q59.7Low60.9Low64 Ų6443.2 Ų43.230%0.29922%0.218SC..EExtended strand (participates in β ladder)trans-105.6114.8166.9-167.5-176.143.700109.5T586 N588 Q627T586-Q607 PolarHBondContact O-N 2.62Å; N588-Q607 PolarHBondContact N-O 2.9Å; Q607-Q627 WeakPolarHBondContact CA-O 3.17Å; Q607-Q627 HydrophobicContact CG-CB 4.04Å
608N64.1Low61.6Low0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-107.3122.5179.6-65-52.5000110.6N588 E614 Q627 N628 Q629N588-N608 WeakPolarHBondContact CB-OD1 3.12Å; N588-N608 PolarHBondContact ND2-OD1 3.28Å; N608-E614 PolarHBondContact ND2-O 2.89Å; N608-Q627 PolarHBondContact N-O 3.4Å; N608-N628 WeakPolarHBondContact CB-OD1 3.15Å; N608-N628 PolarHBondContact ND2-OD1 2.82Å; N608-Q629 PolarHBondContact O-N 3.3Å
609Q60.7Low61.8Low63 Ų6344.2 Ų44.229%0.29422%0.223SC..EExtended strand (participates in β ladder)trans-119.3115.3173.9-65.3-179.5-2.600109.9N588 Q589 G590 Q629N588-Q609 PolarHBondContact O-N 2.89Å; Q589-Q609 HydrophobicContact CG-CB 4.48Å; G590-Q609 PolarHBondContact N-O 3.4Å; G590-Q609 VanDerWaalsContact N-O 3.09Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å
610G62.2Low62.2Low22 Ų2241.4 Ų41.423%0.22722%0.216CC..EExtended strand (participates in β ladder)trans-177.1-172.8-174.800000116.8G590 Q629 G630G590-G610 WeakPolarHBondContact O-CA 3.41Å; G610-Q629 PolarHBondContact N-O 3.37Å; G610-Q629 VanDerWaalsContact N-O 3.12Å; G610-G630 WeakPolarHBondContact O-CA 3.45Å
611K67.7Low62.8Low137 Ų13746.3 Ų46.360%0.59623%0.232SC*.EExtended strand (participates in β ladder)trans-76.1-37.4173.3-72-172.2177.3-176.60111.5K591 K631 K632K591-K611 WeakPolarHBondContact O-CB 3.34Å; K591-K611 PolarHBondContact O-N 2.82Å; K611-K631 WeakPolarHBondContact O-CB 3.36Å; K611-K631 PolarHBondContact O-N 3.12Å; K611-K632 PolarHBondContact O-N 3.34Å
612K62.3Low63.2Low60 Ų6042.6 Ų42.626%0.26122%0.215SC..EExtended strand (participates in β ladder)trans-122.4128.4168.1-131.4-176.4169.3-71.80107K591 G593 E614 K632 E634K591-K612 PolarHBondContact O-N 2.92Å; G593-K612 PolarHBondContact N-O 3.21Å; K612-E614 VanDerWaalsContact CD-OE1 3.31Å; K612-E614 WeakPolarHBondContact CD-OE1 3.45Å; K612-E614 WeakPolarHBondContact CE-OE1 3.28Å; K612-E614 VanDerWaalsContact NZ-CD 3.34Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 3.08Å; K612-K632 HydrophobicContact CG-CB 4.18Å; K612-K632 HydrophobicContact CG-CD 4.39Å; K612-E634 IonicContact NZ-OE1 2.79Å; K612-E634 PolarHBondContact NZ-OE1 3.24Å; K612-E634 IonicContact NZ-OE2 3.95Å; K612-E634 PolarHBondContact NZ-OE2 3.38Å
613G63.3Low63.7Low1 Ų140 Ų401%0.0121%0.205CC..EExtended strand (participates in β ladder)trans-126.2124170.900000109.4G593 K632 G633 E634G593-G613 WeakPolarHBondContact O-CA 3.36Å; G613-K632 PolarHBondContact N-O 2.88Å; G613-K632 VanDerWaalsContact N-O 3.12Å; G613-G633 WeakPolarHBondContact O-CA 3.41Å; G613-E634 PolarHBondContact O-N 3.26Å
614E65.7Low64.1Low41 Ų4141.9 Ų41.919%0.19221%0.213CC..EExtended strand (participates in β ladder)trans-114.2134.2-177.1-72.6158.5-134.100109.6G593 E594 G595 N608 K612 E634G593-E614 PolarHBondContact O-N 3.46Å; E594-E614 HydrophobicContact CG-CB 4.25Å; G595-E614 WeakPolarHBondContact CA-O 3.49Å; G595-E614 PolarHBondContact N-O 3.03Å; N608-E614 PolarHBondContact ND2-O 2.89Å; K612-E614 VanDerWaalsContact CD-OE1 3.31Å; K612-E614 WeakPolarHBondContact CD-OE1 3.45Å; K612-E614 WeakPolarHBondContact CE-OE1 3.28Å; K612-E614 VanDerWaalsContact NZ-CD 3.34Å; K612-E614 IonicContact NZ-OE1 2.6Å; K612-E614 PolarHBondContact NZ-OE1 3.08Å; E614-E634 HydrophobicContact CG-CB 4.26Å
615G61.6Low64.2Low21 Ų2140.8 Ų40.822%0.21621%0.214CC..PPolyproline II helixtrans-66.3159.1-16700000115.3E634G615-E634 WeakPolarHBondContact CA-O 3.33Å; G615-E634 PolarHBondContact N-O 2.82Å
616A65.8Low64.8Low1 Ų140 Ų401%0.00821%0.206CC..PPolyproline II helixtrans-78.3153.4174.700000112.2A596 A606 A626 A636 Q637A596-A616 WeakPolarHBondContact O-CA 3.39Å; A596-A616 WeakPolarHBondContact O-CB 3.21Å; A606-A616 HydrophobicContact CB-CB 4.38Å; A616-A626 HydrophobicContact CB-CB 4.09Å; A616-A636 WeakPolarHBondContact O-CA 3.37Å; A616-A636 WeakPolarHBondContact O-CB 3.48Å; A616-Q637 PolarHBondContact O-N 2.92Å; A616-Q637 VanDerWaalsContact O-N 3.14Å
617Q64.3Low65Low81 Ų8143.5 Ų43.538%0.37922%0.222SC..EExtended strand (participates in β ladder)trans-101.5120164.3-90-170.9-15.300109.8A596 Q597 N598 Q637A596-Q617 PolarHBondContact O-N 3.47Å; Q597-Q617 HydrophobicContact CG-CB 4.32Å; N598-Q617 PolarHBondContact N-O 3.42Å; Q617-Q637 HydrophobicContact CG-CB 4.09Å
618N68.6Low65.6Low1 Ų140.5 Ų40.51%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-115.5119.9178.3-64.5-51.2000110.7N598 E624 Q637 N638 Q639N598-N618 WeakPolarHBondContact CB-OD1 3.47Å; N598-N618 PolarHBondContact ND2-OD1 3.16Å; N618-E624 PolarHBondContact ND2-O 2.69Å; N618-Q637 PolarHBondContact N-O 2.97Å; N618-N638 WeakPolarHBondContact CB-OD1 3.42Å; N618-N638 PolarHBondContact ND2-OD1 3.24Å; N618-Q639 PolarHBondContact O-N 2.93Å
619Q64.1Low65.9Low79 Ų7943.9 Ų43.937%0.36922%0.224SC..EExtended strand (participates in β ladder)trans-118.7120.8174.1-68.2-179.6-7.900110.5N598 G600N598-Q619 PolarHBondContact O-N 2.96Å; G600-Q619 PolarHBondContact N-O 3.48Å; G600-Q619 VanDerWaalsContact N-O 3.15Å
620G64.4Low66.2Low23 Ų2341.9 Ų41.924%0.23722%0.22CC..EExtended strand (participates in β ladder)trans-180-171.9-176.600000117.5G600 Q639 G640G600-G620 WeakPolarHBondContact O-CA 3.37Å; G620-Q639 PolarHBondContact N-O 2.91Å; G620-Q639 VanDerWaalsContact N-O 3.13Å; G620-G640 WeakPolarHBondContact O-CA 3.46Å
621K70Confident66.8Low124 Ų12446.9 Ų46.954%0.53924%0.235SC..EExtended strand (participates in β ladder)trans-77.4-31.7171.6-72.3-170.6176.9-175.20111.7K601 K641 K642K601-K621 WeakPolarHBondContact O-CB 3.43Å; K601-K621 PolarHBondContact O-N 2.67Å; K621-K641 WeakPolarHBondContact O-CB 3.41Å; K621-K641 PolarHBondContact O-N 2.94Å; K621-K642 PolarHBondContact O-N 3.43Å; K621-K642 VanDerWaalsContact O-N 3.08Å
622K66.8Low67Low57 Ų5744.4 Ų44.425%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-124.7131.1164-95.6-179.6134.3-72.80107.9K601 K602 G603 E624 K642 E644K601-K622 PolarHBondContact O-N 2.78Å; K602-K622 WeakPolarHBondContact CA-O 3.14Å; K602-K622 HydrophobicContact CG-CB 4.14Å; K602-K622 HydrophobicContact CG-CD 4.34Å; G603-K622 PolarHBondContact N-O 3.07Å; K622-E624 IonicContact NZ-OE1 3.64Å; K622-E624 PolarHBondContact NZ-OE1 3.07Å; K622-K642 WeakPolarHBondContact CA-O 3.45Å; K622-K642 HydrophobicContact CG-CB 4.05Å; K622-K642 HydrophobicContact CG-CD 4.45Å; K622-E644 IonicContact NZ-OE1 3.92Å; K622-E644 PolarHBondContact NZ-OE1 2.9Å; K622-E644 IonicContact NZ-OE2 2.59Å
623G66.4Low67.3Low1 Ų141.6 Ų41.61%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-123.2126.616600000109.5G603 K642 G643 E644G603-G623 WeakPolarHBondContact O-CA 3.07Å; G623-K642 PolarHBondContact N-O 2.73Å; G623-G643 WeakPolarHBondContact O-CA 3.37Å; G623-E644 PolarHBondContact O-N 2.95Å
624E68Low67.6Low40 Ų4043.6 Ų43.619%0.18722%0.222CC..EExtended strand (participates in β ladder)trans-115125.8-177.6-71.4154.2-137.600108K602 G603 E604 G605 N618 K622 E644K602-E624 IonicContact NZ-OE1 2.67Å; K602-E624 PolarHBondContact NZ-OE1 2.66Å; K602-E624 IonicContact NZ-OE2 3.31Å; K602-E624 PolarHBondContact NZ-OE2 2.71Å; G603-E624 PolarHBondContact O-N 3.04Å; E604-E624 HydrophobicContact CG-CB 4.33Å; E604-E624 WeakPolarHBondContact CG-OE2 3.41Å; G605-E624 WeakPolarHBondContact CA-O 3.32Å; G605-E624 PolarHBondContact N-O 3.38Å; N618-E624 PolarHBondContact ND2-O 2.69Å; K622-E624 IonicContact NZ-OE1 3.64Å; K622-E624 PolarHBondContact NZ-OE1 3.07Å; E624-E644 HydrophobicContact CG-CB 4.43Å
625G63.6Low67.7Low22 Ų2242.8 Ų42.823%0.22723%0.225CC..  trans-66.4165.7-164.100000116.3E644G625-E644 WeakPolarHBondContact CA-O 3.49Å; G625-E644 PolarHBondContact N-O 3.23Å
626A69.3Low68.1Low1 Ų141.9 Ų41.91%0.00822%0.215CC..  trans-80.2155.5177.100000112.7A606 A616 A636 A646 Q647A606-A626 WeakPolarHBondContact O-CA 3.36Å; A606-A626 WeakPolarHBondContact O-CB 3.37Å; A616-A626 HydrophobicContact CB-CB 4.09Å; A626-A636 HydrophobicContact CB-CB 4.06Å; A626-A646 VanDerWaalsContact O-CA 3.31Å; A626-A646 WeakPolarHBondContact O-CA 3.37Å; A626-A646 WeakPolarHBondContact O-CB 3.31Å; A626-Q647 PolarHBondContact O-N 2.79Å
627Q67Low68.2Low74 Ų7445 Ų4535%0.34623%0.23SC..EExtended strand (participates in β ladder)trans-106.9119.1166.2-89.4-172.1-11.100110A606 Q607 N608 Q647A606-Q627 PolarHBondContact O-N 3.43Å; A606-Q627 VanDerWaalsContact O-N 3.08Å; Q607-Q627 WeakPolarHBondContact CA-O 3.17Å; Q607-Q627 HydrophobicContact CG-CB 4.04Å; N608-Q627 PolarHBondContact N-O 3.4Å; Q627-Q647 WeakPolarHBondContact CA-O 3.49Å; Q627-Q647 HydrophobicContact CG-CB 3.88Å
628N72.3Confident68.7Low1 Ų141.2 Ų41.21%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-114.7122.2173.9-56.3-69.5000110.9N608 E634 Q647 N648 Q649N608-N628 WeakPolarHBondContact CB-OD1 3.15Å; N608-N628 PolarHBondContact ND2-OD1 2.82Å; N628-E634 PolarHBondContact ND2-O 3.45Å; N628-Q647 PolarHBondContact N-O 3.25Å; N628-N648 WeakPolarHBondContact CB-OD1 3.37Å; N628-N648 PolarHBondContact ND2-OD1 2.74Å; N628-Q649 PolarHBondContact O-N 2.98Å
629Q69.3Low68.7Low72 Ų7245.1 Ų45.134%0.33623%0.23SC..EExtended strand (participates in β ladder)trans-117.3115.9173.6-69.8-179.3-20.800110N608 Q609 G610 Q649N608-Q629 PolarHBondContact O-N 3.3Å; Q609-Q629 HydrophobicContact CG-CB 4.46Å; G610-Q629 PolarHBondContact N-O 3.37Å; G610-Q629 VanDerWaalsContact N-O 3.12Å; Q629-Q649 HydrophobicContact CG-CB 4.28Å
630G67Low68.9Low21 Ų2142.4 Ų42.422%0.21622%0.223CC..EExtended strand (participates in β ladder)trans-177.7-170.7-176.200000117.1G610 Q649 G650G610-G630 WeakPolarHBondContact O-CA 3.45Å; G630-Q649 PolarHBondContact N-O 3.2Å; G630-Q649 VanDerWaalsContact N-O 3.1Å; G630-G650 WeakPolarHBondContact O-CA 3.43Å
631K75.5Confident69.4Low126 Ų12647 Ų4755%0.54824%0.237SC..EExtended strand (participates in β ladder)trans-77.3-36.6173.7-73.3-170.4177.1-174.50111.6K611 K651 K652K611-K631 WeakPolarHBondContact O-CB 3.36Å; K611-K631 PolarHBondContact O-N 3.12Å; K631-K651 PolarHBondContact O-N 2.9Å; K631-K652 PolarHBondContact O-N 3.37Å; K631-K652 VanDerWaalsContact O-N 3.15Å
632K72.1Confident69.5Low85 Ų8545.4 Ų45.437%0.3723%0.23SC..EExtended strand (participates in β ladder)trans-121.3135.1162.9-75.4-170.9164.4-150.20108.9K611 K612 G613 K652K611-K632 PolarHBondContact O-N 3.34Å; K612-K632 HydrophobicContact CG-CB 4.18Å; K612-K632 HydrophobicContact CG-CD 4.39Å; G613-K632 PolarHBondContact N-O 2.88Å; G613-K632 VanDerWaalsContact N-O 3.12Å; K632-K652 HydrophobicContact CG-CB 4.47Å
633G68.1Low69.6Low1 Ų142.8 Ų42.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-127.7124.8167.800000110.4G613 K652 G653 E654G613-G633 WeakPolarHBondContact O-CA 3.41Å; G633-K652 PolarHBondContact N-O 3.31Å; G633-G653 VanDerWaalsContact O-CA 3.32Å; G633-G653 WeakPolarHBondContact O-CA 3.44Å; G633-E654 PolarHBondContact O-N 2.97Å; G633-E654 VanDerWaalsContact O-N 3.07Å
634E70.4Confident69.8Low43 Ų4345 Ų4520%0.20123%0.229CC..EExtended strand (participates in β ladder)trans-107.5138.5-179.2-71.9153.7-133.900109K612 G613 E614 G615 N628K612-E634 IonicContact NZ-OE1 2.79Å; K612-E634 PolarHBondContact NZ-OE1 3.24Å; K612-E634 IonicContact NZ-OE2 3.95Å; K612-E634 PolarHBondContact NZ-OE2 3.38Å; G613-E634 PolarHBondContact O-N 3.26Å; E614-E634 HydrophobicContact CG-CB 4.26Å; G615-E634 WeakPolarHBondContact CA-O 3.33Å; G615-E634 PolarHBondContact N-O 2.82Å; N628-E634 PolarHBondContact ND2-O 3.45Å
635G66.3Low69.8Low25 Ų2544.2 Ų44.226%0.25823%0.231SC..  trans-67.5161.4-166.500000115.9E654G635-E654 PolarHBondContact N-O 3.18Å
636A70Confident70.2Confident1 Ų143.2 Ų43.21%0.00822%0.221CC..  trans-82.7160.6172.400000111.9A616 A626 A646 A656 Q657A616-A636 WeakPolarHBondContact O-CA 3.37Å; A616-A636 WeakPolarHBondContact O-CB 3.48Å; A626-A636 HydrophobicContact CB-CB 4.06Å; A636-A646 HydrophobicContact CB-CB 3.83Å; A636-A656 VanDerWaalsContact O-CA 3.29Å; A636-A656 WeakPolarHBondContact O-CA 3.4Å; A636-A656 VanDerWaalsContact O-CB 3.27Å; A636-A656 WeakPolarHBondContact O-CB 3.18Å; A636-Q657 PolarHBondContact O-N 3.36Å
637Q69Low70.3Confident68 Ų6846.5 Ų46.532%0.31824%0.236SC..EExtended strand (participates in β ladder)trans-114.8122.2166-93.9-177.9-21.800109.9A616 Q617 N618 Q657A616-Q637 PolarHBondContact O-N 2.92Å; A616-Q637 VanDerWaalsContact O-N 3.14Å; Q617-Q637 HydrophobicContact CG-CB 4.09Å; N618-Q637 PolarHBondContact N-O 2.97Å; Q637-Q657 WeakPolarHBondContact CA-O 3.44Å; Q637-Q657 HydrophobicContact CG-CB 3.89Å
638N73.6Confident70.7Confident1 Ų143.2 Ų43.21%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-118.1123.1175.4-54.7-76.3000111N618 E644 Q657 N658 Q659N618-N638 WeakPolarHBondContact CB-OD1 3.42Å; N618-N638 PolarHBondContact ND2-OD1 3.24Å; N638-E644 PolarHBondContact ND2-O 2.95Å; N638-Q657 PolarHBondContact N-O 3.25Å; N638-N658 WeakPolarHBondContact CB-OD1 3.35Å; N638-N658 PolarHBondContact ND2-OD1 3.46Å; N638-Q659 PolarHBondContact O-N 3.25Å; N638-Q659 VanDerWaalsContact O-N 3.08Å
639Q69.8Low70.7Confident83 Ų8346.6 Ų46.639%0.38824%0.237SC..EExtended strand (participates in β ladder)trans-119.1120.3174.4-68.1176.9-1100109.9N618 G620N618-Q639 PolarHBondContact O-N 2.93Å; G620-Q639 PolarHBondContact N-O 2.91Å; G620-Q639 VanDerWaalsContact N-O 3.13Å
640G68.2Low70.8Confident22 Ų2244.4 Ų44.423%0.22723%0.234CC..EExtended strand (participates in β ladder)trans179.8-172-178.600000117.9G620 Q659 G660G620-G640 WeakPolarHBondContact O-CA 3.46Å; G640-Q659 PolarHBondContact N-O 3.22Å; G640-Q659 VanDerWaalsContact N-O 3.09Å; G640-G660 WeakPolarHBondContact O-CA 3.37Å
641K74.4Confident71.4Confident120 Ų12049.7 Ų49.752%0.52225%0.251SS..EExtended strand (participates in β ladder)trans-77.3-33.1173.9-74.3-169.2176.8-174.20111.9K621 K661 K662K621-K641 WeakPolarHBondContact O-CB 3.41Å; K621-K641 PolarHBondContact O-N 2.94Å; K641-K661 PolarHBondContact O-N 3.17Å; K641-K662 PolarHBondContact O-N 3.17Å; K641-K662 VanDerWaalsContact O-N 3.17Å
642K71.5Confident71.4Confident89 Ų8948.1 Ų48.139%0.38724%0.244SC..EExtended strand (participates in β ladder)trans-124.2135.6162.4-74.9-166.3168.7-158.50109.1K621 K622 G623 K662K621-K642 PolarHBondContact O-N 3.43Å; K621-K642 VanDerWaalsContact O-N 3.08Å; K622-K642 WeakPolarHBondContact CA-O 3.45Å; K622-K642 HydrophobicContact CG-CB 4.05Å; K622-K642 HydrophobicContact CG-CD 4.45Å; G623-K642 PolarHBondContact N-O 2.73Å; K642-K662 WeakPolarHBondContact CA-O 3.41Å; K642-K662 HydrophobicContact CG-CB 4.33Å
643G68.6Low71.3Confident2 Ų244.1 Ų44.12%0.02123%0.227CC..EExtended strand (participates in β ladder)trans-130.7130.317100000110.9G623 K662 G663 E664G623-G643 WeakPolarHBondContact O-CA 3.37Å; G643-K662 PolarHBondContact N-O 2.96Å; G643-K662 VanDerWaalsContact N-O 3.11Å; G643-G663 WeakPolarHBondContact O-CA 3.31Å; G643-E664 PolarHBondContact O-N 3.41Å
644E71.3Confident71.6Confident49 Ų4946.9 Ų46.923%0.22924%0.24CC..EExtended strand (participates in β ladder)trans-115136.3-179.4-68.6155.1-131.900108.5K622 G623 E624 G625 N638K622-E644 IonicContact NZ-OE1 3.92Å; K622-E644 PolarHBondContact NZ-OE1 2.9Å; K622-E644 IonicContact NZ-OE2 2.59Å; G623-E644 PolarHBondContact O-N 2.95Å; E624-E644 HydrophobicContact CG-CB 4.43Å; G625-E644 WeakPolarHBondContact CA-O 3.49Å; G625-E644 PolarHBondContact N-O 3.23Å; N638-E644 PolarHBondContact ND2-O 2.95Å
645G67.9Low71.5Confident22 Ų2246 Ų4623%0.22724%0.242CC..  trans-67.4161.6-166.500000116N658 E664G645-N658 WeakPolarHBondContact CA-ND2 3.31Å; G645-N658 PolarHBondContact N-ND2 2.73Å; G645-E664 PolarHBondContact N-O 3.17Å
646A72.1Confident71.7Confident1 Ų144.9 Ų44.91%0.00823%0.23CC..  trans-77.8156.1170.900000112.1A626 A636 A656 P666 Q667A626-A646 VanDerWaalsContact O-CA 3.31Å; A626-A646 WeakPolarHBondContact O-CA 3.37Å; A626-A646 WeakPolarHBondContact O-CB 3.31Å; A636-A646 HydrophobicContact CB-CB 3.83Å; A646-A656 HydrophobicContact CB-CB 3.81Å; A646-P666 VanDerWaalsContact O-CA 3.25Å; A646-P666 WeakPolarHBondContact O-CA 3.39Å; A646-P666 WeakPolarHBondContact O-CB 3.35Å; A646-Q667 PolarHBondContact O-N 3.43Å
647Q71.7Confident71.8Confident71 Ų7148 Ų4833%0.33225%0.245SC..EExtended strand (participates in β ladder)trans-112.2116.6170.2-104.2179.1-10.200110.1A626 Q627 N628 Q667A626-Q647 PolarHBondContact O-N 2.79Å; Q627-Q647 WeakPolarHBondContact CA-O 3.49Å; Q627-Q647 HydrophobicContact CG-CB 3.88Å; N628-Q647 PolarHBondContact N-O 3.25Å; Q647-Q667 WeakPolarHBondContact CA-O 3.42Å; Q647-Q667 HydrophobicContact CG-CB 4.01Å
648N75.7Confident72.1Confident4 Ų444.9 Ų44.92%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-115.9122.7-179.5-77.3-14.3000110.5N628 E654 Q667 Q669N628-N648 WeakPolarHBondContact CB-OD1 3.37Å; N628-N648 PolarHBondContact ND2-OD1 2.74Å; N648-E654 PolarHBondContact ND2-O 3.13Å; N648-Q667 PolarHBondContact N-O 2.94Å; N648-Q669 PolarHBondContact O-N 3.05Å
649Q73.2Confident72Confident72 Ų7248.7 Ų48.734%0.33625%0.248SC..EExtended strand (participates in β ladder)trans-126.1119.8179.7-75.4177.9-22.400110.3N628 Q629 G630 Q669N628-Q649 PolarHBondContact O-N 2.98Å; Q629-Q649 HydrophobicContact CG-CB 4.28Å; G630-Q649 PolarHBondContact N-O 3.2Å; G630-Q649 VanDerWaalsContact N-O 3.1Å; Q649-Q669 WeakPolarHBondContact CA-O 3.4Å; Q649-Q669 HydrophobicContact CG-CB 4.14Å
650G71.4Confident72Confident27 Ų2745.7 Ų45.728%0.27824%0.239SC..EExtended strand (participates in β ladder)trans177.8-162.9-176.600000118.3G630 Q669 A670G630-G650 WeakPolarHBondContact O-CA 3.43Å; G650-Q669 PolarHBondContact N-O 2.94Å; G650-Q669 VanDerWaalsContact N-O 3.1Å; G650-A670 WeakPolarHBondContact O-CA 3.41Å
651K78.1Confident72.3Confident131 Ų13150.7 Ų50.757%0.5726%0.255SS*.EExtended strand (participates in β ladder)trans-84.6-39.1172.3-74.3-165.6177-169.90111.9K631 K671 K672K631-K651 PolarHBondContact O-N 2.9Å; K651-K671 WeakPolarHBondContact O-CB 3.45Å; K651-K671 PolarHBondContact O-N 3.36Å; K651-K672 PolarHBondContact O-N 3.22Å
652K76.1Confident72.2Confident94 Ų9447.4 Ų47.441%0.40924%0.241SC..EExtended strand (participates in β ladder)trans-121.4141.4163.4-78.9-165.7166.2-149.30108.9K631 K632 G633 K672K631-K652 PolarHBondContact O-N 3.37Å; K631-K652 VanDerWaalsContact O-N 3.15Å; K632-K652 HydrophobicContact CG-CB 4.47Å; G633-K652 PolarHBondContact N-O 3.31Å; K652-K672 WeakPolarHBondContact CA-O 3.48Å
653G70.5Confident72Confident1 Ų143.2 Ų43.21%0.0122%0.223CC..EExtended strand (participates in β ladder)trans-142.7134.2170.600000110.8G633 N668 K672 G673 E674G633-G653 VanDerWaalsContact O-CA 3.32Å; G633-G653 WeakPolarHBondContact O-CA 3.44Å; G653-N668 VanDerWaalsContact C-ND2 3.33Å; G653-N668 WeakPolarHBondContact CA-OD1 3.06Å; G653-N668 PolarHBondContact O-ND2 3.11Å; G653-K672 PolarHBondContact N-O 2.79Å; G653-G673 WeakPolarHBondContact O-CA 3.37Å; G653-E674 PolarHBondContact O-N 3.02Å
654E73.2Confident72.1Confident59 Ų5946.1 Ų46.128%0.27624%0.235SC..  trans-108.8148.7178.6-73.8152.3-137.700109.7G633 G635 N648 E674G633-E654 PolarHBondContact O-N 2.97Å; G633-E654 VanDerWaalsContact O-N 3.07Å; G635-E654 PolarHBondContact N-O 3.18Å; N648-E654 PolarHBondContact ND2-O 3.13Å; E654-E674 HydrophobicContact CG-CB 4.35Å
655G68.6Low72Confident25 Ų2544.7 Ų44.726%0.25823%0.234SC..  trans-73.7162.6-170.300000114.9G675G655-G675 VanDerWaalsContact CA-O 3.32Å; G655-G675 WeakPolarHBondContact CA-O 3.16Å
656A71.2Confident72.2Confident1 Ų144 Ų441%0.00823%0.225CC..  trans-86.7158.8171.900000112.2A636 A646 P666 A676 Q677A636-A656 VanDerWaalsContact O-CA 3.29Å; A636-A656 WeakPolarHBondContact O-CA 3.4Å; A636-A656 VanDerWaalsContact O-CB 3.27Å; A636-A656 WeakPolarHBondContact O-CB 3.18Å; A646-A656 HydrophobicContact CB-CB 3.81Å; A656-P666 HydrophobicContact CB-CB 3.71Å; A656-P666 HydrophobicContact CB-CG 3.83Å; A656-A676 WeakPolarHBondContact O-CB 3.41Å; A656-Q677 PolarHBondContact O-N 3.22Å
657Q71.2Confident72.2Confident66 Ų6646.2 Ų46.231%0.30824%0.236SC..EExtended strand (participates in β ladder)trans-111.9121.3170.8-109.5-176.7-8.300110.7A636 Q637 N638 Q677A636-Q657 PolarHBondContact O-N 3.36Å; Q637-Q657 WeakPolarHBondContact CA-O 3.44Å; Q637-Q657 HydrophobicContact CG-CB 3.89Å; N638-Q657 PolarHBondContact N-O 3.25Å; Q657-Q677 HydrophobicContact CG-CB 4.03Å
658N75.7Confident72.3Confident2 Ų243 Ų431%0.01122%0.221CC..EExtended strand (participates in β ladder)trans-119.8123.9179.5-79.7-2000110.9N638 G645 E664 Q677 N678 Q679N638-N658 WeakPolarHBondContact CB-OD1 3.35Å; N638-N658 PolarHBondContact ND2-OD1 3.46Å; G645-N658 WeakPolarHBondContact CA-ND2 3.31Å; G645-N658 PolarHBondContact N-ND2 2.73Å; N658-E664 PolarHBondContact ND2-O 3.07Å; N658-Q677 PolarHBondContact N-O 2.99Å; N658-N678 WeakPolarHBondContact CB-OD1 3.39Å; N658-N678 WeakPolarHBondContact O-CA 3.39Å; N658-Q679 PolarHBondContact O-N 3.11Å
659Q71.9Confident72.4Confident82 Ų8246.2 Ų46.238%0.38324%0.236SC..EExtended strand (participates in β ladder)trans-126.5120.5178-67179.4-5.800110.3N638 G640N638-Q659 PolarHBondContact O-N 3.25Å; N638-Q659 VanDerWaalsContact O-N 3.08Å; G640-Q659 PolarHBondContact N-O 3.22Å; G640-Q659 VanDerWaalsContact N-O 3.09Å
660G70Confident72.4Confident20 Ų2043.1 Ų43.121%0.20622%0.222CC..EExtended strand (participates in β ladder)trans179.7-176.1-179.500000117.9G640 Q679 G680G640-G660 WeakPolarHBondContact O-CA 3.37Å; G660-Q679 PolarHBondContact N-O 3.33Å; G660-G680 WeakPolarHBondContact O-CA 3.38Å
661K75.1Confident72.6Confident127 Ų12748 Ų4855%0.55224%0.236SC*.EExtended strand (participates in β ladder)trans-75-32.9175.8-74.3-167.6177.3-173.40112.2K641 K681 K682K641-K661 PolarHBondContact O-N 3.17Å; K661-K681 WeakPolarHBondContact O-CB 3.31Å; K661-K681 PolarHBondContact O-N 2.69Å; K661-K682 PolarHBondContact O-N 3.05Å; K661-K682 VanDerWaalsContact O-N 3.16Å
662K71.5Confident72.5Confident51 Ų5144.4 Ų44.422%0.22222%0.22CC..EExtended strand (participates in β ladder)trans-131.3131.3168.5-152.4-171.6176.4-66.40107.2K641 K642 G643 E664 K682 E684K641-K662 PolarHBondContact O-N 3.17Å; K641-K662 VanDerWaalsContact O-N 3.17Å; K642-K662 WeakPolarHBondContact CA-O 3.41Å; K642-K662 HydrophobicContact CG-CB 4.33Å; G643-K662 PolarHBondContact N-O 2.96Å; G643-K662 VanDerWaalsContact N-O 3.11Å; K662-E664 IonicContact NZ-OE1 3.95Å; K662-E664 PolarHBondContact NZ-OE1 3.44Å; K662-K682 WeakPolarHBondContact CA-O 3.4Å; K662-K682 HydrophobicContact CG-CB 4.08Å; K662-E684 WeakPolarHBondContact CE-OE1 3.5Å; K662-E684 IonicContact NZ-OE1 2.57Å; K662-E684 PolarHBondContact NZ-OE1 3.23Å; K662-E684 IonicContact NZ-OE2 2.71Å; K662-E684 PolarHBondContact NZ-OE2 2.85Å
663G67.9Low72.1Confident1 Ų140.1 Ų40.11%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-138.8133.2179.700000111.3G643 N678 K682 G683 E684G643-G663 WeakPolarHBondContact O-CA 3.31Å; G663-N678 WeakPolarHBondContact CA-OD1 3.22Å; G663-N678 PolarHBondContact O-ND2 3.35Å; G663-K682 PolarHBondContact N-O 3.19Å; G663-G683 WeakPolarHBondContact O-CA 3.36Å; G663-E684 PolarHBondContact O-N 2.97Å
664E70.9Confident72.1Confident62 Ų6242.6 Ų42.629%0.2921%0.214SC..  trans-110.1136.6176.2-75.2151.9-135.900109G643 G645 N658 K662 E684G643-E664 PolarHBondContact O-N 3.41Å; G645-E664 PolarHBondContact N-O 3.17Å; N658-E664 PolarHBondContact ND2-O 3.07Å; K662-E664 IonicContact NZ-OE1 3.95Å; K662-E664 PolarHBondContact NZ-OE1 3.44Å; E664-E684 HydrophobicContact CG-CB 3.95Å
665G68.1Low71.8Confident19 Ų1941 Ų4120%0.19621%0.213CC..  trans-72.2157.3-171.400000113.8N678 E684 G685G665-N678 PolarHBondContact N-ND2 3.35Å; G665-E684 PolarHBondContact N-O 3.15Å; G665-E684 VanDerWaalsContact N-O 3.14Å; G665-G685 WeakPolarHBondContact CA-O 3.42Å; G665-G685 PolarHBondContact N-O 3.22Å
666P71.7Confident71.8Confident7 Ų740.2 Ų40.25%0.04520%0.204CC..  trans-74165.6173.432.5-37000112.9A646 A656 A676 A686 Q687A646-P666 VanDerWaalsContact O-CA 3.25Å; A646-P666 WeakPolarHBondContact O-CA 3.39Å; A646-P666 WeakPolarHBondContact O-CB 3.35Å; A656-P666 HydrophobicContact CB-CB 3.71Å; A656-P666 HydrophobicContact CB-CG 3.83Å; P666-A676 HydrophobicContact CG-CB 3.21Å; P666-A686 HydrophobicContact CG-CB 4.38Å; P666-A686 WeakPolarHBondContact O-CA 3.49Å; P666-A686 WeakPolarHBondContact O-CB 3.32Å; P666-Q687 PolarHBondContact O-N 3.03Å
667Q71.5Confident71.8Confident49 Ų4943.2 Ų43.223%0.22922%0.218CC..EExtended strand (participates in β ladder)trans-120.6124.3175.9-174.2-177.724.500110.1A646 Q647 N648 Q687A646-Q667 PolarHBondContact O-N 3.43Å; Q647-Q667 WeakPolarHBondContact CA-O 3.42Å; Q647-Q667 HydrophobicContact CG-CB 4.01Å; N648-Q667 PolarHBondContact N-O 2.94Å; Q667-Q687 CarbonylContact C-O 3.4Å; Q667-Q687 WeakPolarHBondContact CA-O 3.38Å; Q667-Q687 HydrophobicContact CB-CB 4.39Å; Q667-Q687 HydrophobicContact CG-CB 3.95Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.1Å
668N75.6Confident71.9Confident3 Ų340.1 Ų40.12%0.01620%0.204CC..EExtended strand (participates in β ladder)trans-125.7106.7-172.4-161.6-0.2000109.8G653 E674 Q687 N688 Q689G653-N668 VanDerWaalsContact C-ND2 3.33Å; G653-N668 WeakPolarHBondContact CA-OD1 3.06Å; G653-N668 PolarHBondContact O-ND2 3.11Å; N668-E674 PolarHBondContact ND2-N 3.37Å; N668-E674 PolarHBondContact ND2-O 3.05Å; N668-E674 VanDerWaalsContact ND2-O 3.14Å; N668-Q687 PolarHBondContact N-O 3.12Å; N668-N688 VanDerWaalsContact CB-OD1 3.22Å; N668-N688 WeakPolarHBondContact CB-OD1 3.41Å; N668-Q689 PolarHBondContact O-N 3.03Å
669Q76.3Confident71.8Confident72 Ų7243.7 Ų43.734%0.33622%0.22SC..EExtended strand (participates in β ladder)trans-10689177.8-81.1177-23.800108.9N648 Q649 G650 Q689N648-Q669 PolarHBondContact O-N 3.05Å; Q649-Q669 WeakPolarHBondContact CA-O 3.4Å; Q649-Q669 HydrophobicContact CG-CB 4.14Å; G650-Q669 PolarHBondContact N-O 2.94Å; G650-Q669 VanDerWaalsContact N-O 3.1Å; Q669-Q689 HydrophobicContact CG-CB 4.13Å
670A73.1Confident71.7Confident6 Ų640.8 Ų40.85%0.0521%0.212CC..EExtended strand (participates in β ladder)trans-145.4151.8-171.400000113.8G650 K672 Q689 G690G650-A670 WeakPolarHBondContact O-CA 3.41Å; A670-K672 VanDerWaalsContact CB-O 3.31Å; A670-K672 WeakPolarHBondContact CB-O 3.38Å; A670-K672 PolarHBondContact O-N 3Å; A670-Q689 PolarHBondContact N-O 3.29Å; A670-Q689 VanDerWaalsContact N-O 3.07Å; A670-G690 WeakPolarHBondContact O-CA 3.11Å
671K76.9Confident71.9Confident129 Ų12945.8 Ų45.856%0.56123%0.228SC*.EExtended strand (participates in β ladder)trans-64.9-37.9179.4-100.5178.6178.4174.70112.9K651 K691 K692K651-K671 WeakPolarHBondContact O-CB 3.45Å; K651-K671 PolarHBondContact O-N 3.36Å; K671-K691 PolarHBondContact O-N 3.16Å; K671-K691 VanDerWaalsContact O-N 3.17Å; K671-K692 PolarHBondContact O-N 3.1Å; K671-K692 VanDerWaalsContact O-N 3.12Å
672K75Confident71.8Confident56 Ų5644.7 Ų44.724%0.24322%0.224CC..EExtended strand (participates in β ladder)trans-117.6121.9153.1-171-170.6-164.8-750106.8K651 K652 G653 A670 E674 K692 E694K651-K672 PolarHBondContact O-N 3.22Å; K652-K672 WeakPolarHBondContact CA-O 3.48Å; G653-K672 PolarHBondContact N-O 2.79Å; A670-K672 VanDerWaalsContact CB-O 3.31Å; A670-K672 WeakPolarHBondContact CB-O 3.38Å; A670-K672 PolarHBondContact O-N 3Å; K672-E674 IonicContact NZ-OE1 2.65Å; K672-E674 PolarHBondContact NZ-OE1 3.11Å; K672-K692 WeakPolarHBondContact CA-O 3.46Å; K672-K692 HydrophobicContact CG-CB 4.19Å; K672-E694 WeakPolarHBondContact CE-OE1 3.11Å; K672-E694 IonicContact NZ-OE1 2.62Å; K672-E694 PolarHBondContact NZ-OE1 3.02Å; K672-E694 IonicContact NZ-OE2 2.61Å; K672-E694 PolarHBondContact NZ-OE2 3.37Å
673G68.3Low71.5Confident4 Ų442.3 Ų42.34%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-114.4132.9171.800000110.2G653 K692 G693 E694G653-G673 WeakPolarHBondContact O-CA 3.37Å; G673-K692 PolarHBondContact N-O 3.26Å; G673-K692 VanDerWaalsContact N-O 3.1Å; G673-G693 WeakPolarHBondContact O-CA 3.41Å; G673-E694 PolarHBondContact O-N 3.07Å; G673-E694 VanDerWaalsContact O-N 3.14Å
674E71.2Confident71.6Confident54 Ų5444.4 Ų44.425%0.25222%0.223SC..  trans-96.3156.5172.2-84.5149.4-127.800111.3G653 E654 N668 K672 N688 E694G653-E674 PolarHBondContact O-N 3.02Å; E654-E674 HydrophobicContact CG-CB 4.35Å; N668-E674 PolarHBondContact ND2-N 3.37Å; N668-E674 PolarHBondContact ND2-O 3.05Å; N668-E674 VanDerWaalsContact ND2-O 3.14Å; K672-E674 IonicContact NZ-OE1 2.65Å; K672-E674 PolarHBondContact NZ-OE1 3.11Å; E674-N688 PolarHBondContact O-ND2 3.1Å; E674-E694 WeakPolarHBondContact CG-OE2 3.36Å
675G66.6Low71.3Confident25 Ų2542.7 Ų42.726%0.25822%0.222SC..  trans-69.3176.5-175.100000114G655 G695G655-G675 VanDerWaalsContact CA-O 3.32Å; G655-G675 WeakPolarHBondContact CA-O 3.16Å; G675-G695 WeakPolarHBondContact CA-O 3.4Å
676A67.9Low71.3Confident9 Ų941.9 Ų41.97%0.07421%0.213CC..  trans-131.4162.2-177.800000111.8A656 P666 A686 A696 Q697A656-A676 WeakPolarHBondContact O-CB 3.41Å; P666-A676 HydrophobicContact CG-CB 3.21Å; A676-A686 HydrophobicContact CB-CB 4.27Å; A676-A696 HydrophobicContact CB-CB 4.21Å; A676-A696 WeakPolarHBondContact O-CA 3.36Å; A676-A696 VanDerWaalsContact O-CB 3.3Å; A676-A696 WeakPolarHBondContact O-CB 3.29Å; A676-Q697 PolarHBondContact O-N 3.12Å
677Q70.4Confident71.1Confident63 Ų6344.6 Ų44.629%0.29423%0.225SC..EExtended strand (participates in β ladder)trans-119.9127.7175.4-81.1-176.5-26.700111.2A656 Q657 N658 Q697A656-Q677 PolarHBondContact O-N 3.22Å; Q657-Q677 HydrophobicContact CG-CB 4.03Å; N658-Q677 PolarHBondContact N-O 2.99Å; Q677-Q697 HydrophobicContact CG-CB 4.23Å
678N74.8Confident71.1Confident2 Ų242.3 Ų42.31%0.01122%0.215CC..EExtended strand (participates in β ladder)trans-128.7112.6177-158.13.7000109.2N658 G663 G665 E684 Q697 N698 Q699N658-N678 WeakPolarHBondContact CB-OD1 3.39Å; N658-N678 WeakPolarHBondContact O-CA 3.39Å; G663-N678 WeakPolarHBondContact CA-OD1 3.22Å; G663-N678 PolarHBondContact O-ND2 3.35Å; G665-N678 PolarHBondContact N-ND2 3.35Å; N678-E684 PolarHBondContact ND2-O 3.35Å; N678-Q697 PolarHBondContact N-O 3.23Å; N678-N698 VanDerWaalsContact CB-OD1 3.23Å; N678-N698 WeakPolarHBondContact CB-OD1 3.39Å; N678-Q699 PolarHBondContact O-N 2.95Å; N678-Q699 VanDerWaalsContact O-N 3.12Å
679Q72.6Confident70.9Confident76 Ų7645.2 Ų45.236%0.35523%0.228SC..EExtended strand (participates in β ladder)trans-118.5118.9-175.2-65.8-179.3-0.100110.4N658 G660N658-Q679 PolarHBondContact O-N 3.11Å; G660-Q679 PolarHBondContact N-O 3.33Å
680G69.6Low70.6Confident21 Ų2143.2 Ų43.222%0.21623%0.226CC..EExtended strand (participates in β ladder)trans-177-177.4-177.800000118.1G660 Q699 G700G660-G680 WeakPolarHBondContact O-CA 3.38Å; G680-Q699 PolarHBondContact N-O 3.31Å; G680-Q699 VanDerWaalsContact N-O 3.08Å; G680-G700 WeakPolarHBondContact O-CA 3.34Å
681K75.5Confident70.7Confident125 Ų12549 Ų4954%0.54325%0.251SS..EExtended strand (participates in β ladder)trans-76.3-32175.5-74.7-167.5177-172.90112.3K661 K701 K702K661-K681 WeakPolarHBondContact O-CB 3.31Å; K661-K681 PolarHBondContact O-N 2.69Å; K681-K701 WeakPolarHBondContact O-CB 3.45Å; K681-K701 PolarHBondContact O-N 3.02Å; K681-K702 PolarHBondContact O-N 2.87Å
682K71.9Confident70.4Confident105 Ų10548.3 Ų48.346%0.45725%0.248SC..EExtended strand (participates in β ladder)trans-128.1121.5162.9-69.9-167.3172.4-167.20108.3K661 K662 G663 K702K661-K682 PolarHBondContact O-N 3.05Å; K661-K682 VanDerWaalsContact O-N 3.16Å; K662-K682 WeakPolarHBondContact CA-O 3.4Å; K662-K682 HydrophobicContact CG-CB 4.08Å; G663-K682 PolarHBondContact N-O 3.19Å; K682-K702 WeakPolarHBondContact CA-O 3.33Å; K682-K702 HydrophobicContact CG-CB 4.25Å
683G65.8Low69.9Low0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-116.7127.6172.800000110.1G663 K702 A703 E704G663-G683 WeakPolarHBondContact O-CA 3.36Å; G683-K702 PolarHBondContact N-O 3.19Å; G683-A703 CarbonylContact O-C 3.57Å; G683-A703 WeakPolarHBondContact O-CA 3.49Å; G683-E704 PolarHBondContact O-N 2.77Å
684E69.4Low69.9Low46 Ų4648.3 Ų48.322%0.21525%0.248CC..  trans-107.1149.7176.1-75.1141.8-115.200109.4K662 G663 E664 G665 N678 N698 E704K662-E684 WeakPolarHBondContact CE-OE1 3.5Å; K662-E684 IonicContact NZ-OE1 2.57Å; K662-E684 PolarHBondContact NZ-OE1 3.23Å; K662-E684 IonicContact NZ-OE2 2.71Å; K662-E684 PolarHBondContact NZ-OE2 2.85Å; G663-E684 PolarHBondContact O-N 2.97Å; E664-E684 HydrophobicContact CG-CB 3.95Å; G665-E684 PolarHBondContact N-O 3.15Å; G665-E684 VanDerWaalsContact N-O 3.14Å; N678-E684 PolarHBondContact ND2-O 3.35Å; E684-N698 VanDerWaalsContact C-ND2 3.26Å; E684-N698 PolarHBondContact O-ND2 2.74Å; E684-N698 VanDerWaalsContact O-ND2 3.16Å; E684-E704 HydrophobicContact CG-CB 4.29Å
685G65.1Low69.6Low25 Ų2546.6 Ų46.626%0.25825%0.245SC..  trans-67.1158.2-16300000116G665 N698 E704G665-G685 WeakPolarHBondContact CA-O 3.42Å; G665-G685 PolarHBondContact N-O 3.22Å; G685-N698 WeakPolarHBondContact CA-ND2 3.47Å; G685-N698 PolarHBondContact N-ND2 2.85Å; G685-E704 WeakPolarHBondContact CA-O 3.43Å; G685-E704 PolarHBondContact N-O 3.3Å
686A67.6Low69.6Low2 Ų245.5 Ų45.52%0.01723%0.233CC..  trans-89.2163.6167.100000111.5P666 A676 A696 V706 Q707P666-A686 HydrophobicContact CG-CB 4.38Å; P666-A686 WeakPolarHBondContact O-CA 3.49Å; P666-A686 WeakPolarHBondContact O-CB 3.32Å; A676-A686 HydrophobicContact CB-CB 4.27Å; A686-A696 HydrophobicContact CB-CB 3.72Å; A686-V706 HydrophobicContact CB-CG1 4.36Å; A686-V706 WeakPolarHBondContact O-CA 3.4Å; A686-V706 WeakPolarHBondContact O-CG1 3.5Å; A686-Q707 PolarHBondContact O-N 3.24Å
687Q68.4Low69.7Low64 Ų6448 Ų4830%0.29924%0.243SC..EExtended strand (participates in β ladder)trans-124.5112.6174.6-94.8-172.7-11.600111.8P666 Q667 N668 Q707P666-Q687 PolarHBondContact O-N 3.03Å; Q667-Q687 CarbonylContact C-O 3.4Å; Q667-Q687 WeakPolarHBondContact CA-O 3.38Å; Q667-Q687 HydrophobicContact CB-CB 4.39Å; Q667-Q687 HydrophobicContact CG-CB 3.95Å; Q667-Q687 VanDerWaalsContact NE2-OE1 3.1Å; N668-Q687 PolarHBondContact N-O 3.12Å; Q687-Q707 WeakPolarHBondContact CA-O 3.29Å; Q687-Q707 HydrophobicContact CG-CB 4.05Å
688N70.6Confident69.8Low2 Ų245 Ų451%0.01123%0.23CC..EExtended strand (participates in β ladder)trans-110.7113.8175.5-84.48000110.9N668 E674 E694 Q707 S708 Q709N668-N688 VanDerWaalsContact CB-OD1 3.22Å; N668-N688 WeakPolarHBondContact CB-OD1 3.41Å; E674-N688 PolarHBondContact O-ND2 3.1Å; N688-E694 PolarHBondContact ND2-O 3.33Å; N688-Q707 PolarHBondContact N-O 3.35Å; N688-S708 WeakPolarHBondContact O-CA 3.04Å; N688-Q709 PolarHBondContact O-N 3.1Å
689Q71.6Confident69.6Low64 Ų6448.3 Ų48.330%0.29925%0.245SC..EExtended strand (participates in β ladder)trans-118.7118.6179.8-73179.8-16.800110.6N668 Q669 A670 Q709N668-Q689 PolarHBondContact O-N 3.03Å; Q669-Q689 HydrophobicContact CG-CB 4.13Å; A670-Q689 PolarHBondContact N-O 3.29Å; A670-Q689 VanDerWaalsContact N-O 3.07Å; Q689-Q709 HydrophobicContact CG-CB 4.3Å
690G69.9Low69.5Low29 Ų2945.5 Ų45.530%0.29924%0.236SC..EExtended strand (participates in β ladder)trans-169.7-170.2-172.100000117.3A670 Q709A670-G690 WeakPolarHBondContact O-CA 3.11Å; G690-Q709 PolarHBondContact N-O 3.46Å
691K75.5Confident69.7Low129 Ų12950.9 Ų50.956%0.56125%0.254SS*.EExtended strand (participates in β ladder)trans-90.7-38.6166.9-79.2-164175.1-168.60111.3K671 K711 K712K671-K691 PolarHBondContact O-N 3.16Å; K671-K691 VanDerWaalsContact O-N 3.17Å; K691-K711 PolarHBondContact O-N 3.37Å; K691-K712 PolarHBondContact O-N 3.21Å
692K70.5Confident69.6Low114 Ų11447.6 Ų47.650%0.49624%0.239SC..EExtended strand (participates in β ladder)trans-120.3138.9163.6-76.2-166.3171.5-160.40108.9K671 K672 G673 K712K671-K692 PolarHBondContact O-N 3.1Å; K671-K692 VanDerWaalsContact O-N 3.12Å; K672-K692 WeakPolarHBondContact CA-O 3.46Å; K672-K692 HydrophobicContact CG-CB 4.19Å; G673-K692 PolarHBondContact N-O 3.26Å; G673-K692 VanDerWaalsContact N-O 3.1Å; K692-K712 WeakPolarHBondContact CA-O 3.3Å
693G64.9Low69.3Low3 Ų342.6 Ų42.63%0.03122%0.218CC..EExtended strand (participates in β ladder)trans-148.6125.8176.700000111.7G673 S710 K712 G713 E714G673-G693 WeakPolarHBondContact O-CA 3.41Å; G693-S710 WeakPolarHBondContact CA-OG 3.36Å; G693-S710 PolarHBondContact N-OG 3.34Å; G693-K712 PolarHBondContact N-O 2.92Å; G693-G713 WeakPolarHBondContact O-CA 3.04Å; G693-E714 PolarHBondContact O-N 3.07Å
694E68.3Low69.4Low56 Ų5645.4 Ų45.426%0.26223%0.231SC..PPolyproline II helixtrans-87.8146.4169.1-76.2131.4-107.900110.1K672 G673 E674 N688K672-E694 WeakPolarHBondContact CE-OE1 3.11Å; K672-E694 IonicContact NZ-OE1 2.62Å; K672-E694 PolarHBondContact NZ-OE1 3.02Å; K672-E694 IonicContact NZ-OE2 2.61Å; K672-E694 PolarHBondContact NZ-OE2 3.37Å; G673-E694 PolarHBondContact O-N 3.07Å; G673-E694 VanDerWaalsContact O-N 3.14Å; E674-E694 WeakPolarHBondContact CG-OE2 3.36Å; N688-E694 PolarHBondContact ND2-O 3.33Å
695G64.4Low69Low18 Ų1843.7 Ų43.719%0.18623%0.226CC..PPolyproline II helixtrans-73.1159.9-176.800000114G675 E714 G715G675-G695 WeakPolarHBondContact CA-O 3.4Å; G695-E714 PolarHBondContact N-O 3.12Å; G695-G715 WeakPolarHBondContact CA-O 3.38Å
696A67.2Low68.8Low2 Ų242.6 Ų42.62%0.01721%0.214CC..PPolyproline II helixtrans-98.2158.9175.500000112.4A676 A686 V706 Q717A676-A696 HydrophobicContact CB-CB 4.21Å; A676-A696 WeakPolarHBondContact O-CA 3.36Å; A676-A696 VanDerWaalsContact O-CB 3.3Å; A676-A696 WeakPolarHBondContact O-CB 3.29Å; A686-A696 HydrophobicContact CB-CB 3.72Å; A696-V706 HydrophobicContact CB-CG1 3.81Å; A696-V706 HydrophobicContact CB-CG2 3.88Å; A696-Q717 PolarHBondContact O-N 2.97Å
697Q69.7Low68.5Low61 Ų6145.9 Ų45.929%0.28523%0.229SC..EExtended strand (participates in β ladder)trans-108.1121.3176.7-80.2-177.8-31.300111.4A676 Q677 N678 Q717A676-Q697 PolarHBondContact O-N 3.12Å; Q677-Q697 HydrophobicContact CG-CB 4.23Å; N678-Q697 PolarHBondContact N-O 3.23Å; Q697-Q717 WeakPolarHBondContact CA-O 3.22Å; Q697-Q717 HydrophobicContact CG-CB 3.97Å
698N72Confident68.2Low1 Ų142.9 Ų42.91%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-115.5117.6172.4-91.915.5000110.2N678 E684 G685 A703 E704 Q717 N718 Q719N678-N698 VanDerWaalsContact CB-OD1 3.23Å; N678-N698 WeakPolarHBondContact CB-OD1 3.39Å; E684-N698 VanDerWaalsContact C-ND2 3.26Å; E684-N698 PolarHBondContact O-ND2 2.74Å; E684-N698 VanDerWaalsContact O-ND2 3.16Å; G685-N698 WeakPolarHBondContact CA-ND2 3.47Å; G685-N698 PolarHBondContact N-ND2 2.85Å; N698-A703 HydrophobicContact CB-CB 4.43Å; N698-E704 PolarHBondContact ND2-O 3.46Å; N698-Q717 PolarHBondContact N-O 3.17Å; N698-N718 WeakPolarHBondContact CB-OD1 3.43Å; N698-Q719 PolarHBondContact O-N 3.22Å; N698-Q719 VanDerWaalsContact O-N 3.16Å
699Q71.6Confident68Low71 Ų7147.2 Ų47.233%0.33224%0.235SC..EExtended strand (participates in β ladder)trans-121.1120.5179-64.5-178.14.100110.7N678 G680N678-Q699 PolarHBondContact O-N 2.95Å; N678-Q699 VanDerWaalsContact O-N 3.12Å; G680-Q699 PolarHBondContact N-O 3.31Å; G680-Q699 VanDerWaalsContact N-O 3.08Å
700G69.7Low67.6Low17 Ų1744.5 Ų44.518%0.17522%0.223CC..EExtended strand (participates in β ladder)trans179.5174.9-179.900000118G680 Q719 G720G680-G700 WeakPolarHBondContact O-CA 3.34Å; G700-Q719 PolarHBondContact N-O 3.08Å; G700-Q719 VanDerWaalsContact N-O 3.08Å; G700-G720 WeakPolarHBondContact O-CA 3.31Å
701K74.9Confident67.5Low134 Ų13449.7 Ų49.758%0.58324%0.237SC*.EExtended strand (participates in β ladder)trans-70.5-36.5178.5-73.4-164.6177.1-1700112.4K681 K721 K722K681-K701 WeakPolarHBondContact O-CB 3.45Å; K681-K701 PolarHBondContact O-N 3.02Å; K701-K721 PolarHBondContact O-N 3.06Å; K701-K722 PolarHBondContact O-N 2.84Å
702K72.4Confident67.1Low56 Ų5649.3 Ų49.324%0.24324%0.236CC..EExtended strand (participates in β ladder)trans-116.6132.7155.6-162-177.1-179.6-146.10108.8K681 K682 G683 E704 K722 D724K681-K702 PolarHBondContact O-N 2.87Å; K682-K702 WeakPolarHBondContact CA-O 3.33Å; K682-K702 HydrophobicContact CG-CB 4.25Å; G683-K702 PolarHBondContact N-O 3.19Å; K702-E704 HydrophobicContact CD-CG 4.45Å; K702-E704 WeakPolarHBondContact CD-OE1 3.04Å; K702-E704 WeakPolarHBondContact CE-OE1 3.3Å; K702-E704 IonicContact NZ-OE1 2.68Å; K702-E704 PolarHBondContact NZ-OE1 3.25Å; K702-E704 IonicContact NZ-OE2 2.68Å; K702-E704 PolarHBondContact NZ-OE2 3.36Å; K702-K722 VanDerWaalsContact CA-O 3.25Å; K702-K722 WeakPolarHBondContact CA-O 3.5Å; K702-K722 HydrophobicContact CG-CB 4.18Å; K702-D724 IonicContact NZ-OD2 2.62Å; K702-D724 PolarHBondContact NZ-OD2 3.18Å
703A66.7Low66.6Low0 Ų044.2 Ų44.20%022%0.215CC..EExtended strand (participates in β ladder)trans-132.5112.7179.100000110.3G683 N698 K722 G723 D724G683-A703 CarbonylContact O-C 3.57Å; G683-A703 WeakPolarHBondContact O-CA 3.49Å; N698-A703 HydrophobicContact CB-CB 4.43Å; A703-K722 PolarHBondContact N-O 3.29Å; A703-G723 CarbonylContact O-C 3.57Å; A703-G723 WeakPolarHBondContact O-CA 3.34Å; A703-D724 PolarHBondContact O-N 2.93Å
704E67.3Low66.5Low59 Ų5948.6 Ų48.628%0.27624%0.235SC..PPolyproline II helixtrans-100.5142.5-177.9-72.1162.5-125.600110.6G683 E684 G685 N698 K702G683-E704 PolarHBondContact O-N 2.77Å; E684-E704 HydrophobicContact CG-CB 4.29Å; G685-E704 WeakPolarHBondContact CA-O 3.43Å; G685-E704 PolarHBondContact N-O 3.3Å; N698-E704 PolarHBondContact ND2-O 3.46Å; K702-E704 HydrophobicContact CD-CG 4.45Å; K702-E704 WeakPolarHBondContact CD-OE1 3.04Å; K702-E704 WeakPolarHBondContact CE-OE1 3.3Å; K702-E704 IonicContact NZ-OE1 2.68Å; K702-E704 PolarHBondContact NZ-OE1 3.25Å; K702-E704 IonicContact NZ-OE2 2.68Å; K702-E704 PolarHBondContact NZ-OE2 3.36Å
705G60.2Low66Low10 Ų1047.5 Ų47.510%0.10324%0.239CC..PPolyproline II helixtrans-72.3142.6-157.900000117.2D724 N726G705-D724 VanDerWaalsContact CA-O 3.32Å; G705-D724 WeakPolarHBondContact CA-O 3.45Å; G705-D724 PolarHBondContact N-O 3.26Å; G705-N726 WeakPolarHBondContact O-CB 3.46Å; G705-N726 PolarHBondContact O-ND2 3.27Å
706V60.8Low65.9Low3 Ų347.4 Ų47.42%0.01824%0.235CC..PPolyproline II helixtrans-71.3142173.6178.70000110.8A686 A696 T716A686-V706 HydrophobicContact CB-CG1 4.36Å; A686-V706 WeakPolarHBondContact O-CA 3.4Å; A686-V706 WeakPolarHBondContact O-CG1 3.5Å; A696-V706 HydrophobicContact CB-CG1 3.81Å; A696-V706 HydrophobicContact CB-CG2 3.88Å; V706-T716 HydrophobicContact CB-CG2 3.86Å; V706-T716 HydrophobicContact CG1-CG2 3.68Å
707Q62.3Low65.8Low71 Ų7151 Ų5133%0.33225%0.251SS..EExtended strand (participates in β ladder)trans-109.7124.9171.1-75.6179.8-16.200111.2A686 Q687 N688 N726A686-Q707 PolarHBondContact O-N 3.24Å; Q687-Q707 WeakPolarHBondContact CA-O 3.29Å; Q687-Q707 HydrophobicContact CG-CB 4.05Å; N688-Q707 PolarHBondContact N-O 3.35Å; Q707-N726 HydrophobicContact CG-CB 4.16Å; Q707-N726 WeakPolarHBondContact CG-ND2 3.29Å; Q707-N726 PolarHBondContact NE2-ND2 3.44Å; Q707-N726 PolarHBondContact NE2-OD1 3.44Å
708S62.2Low65.6Low1 Ų148.6 Ų48.61%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-118125.5170.8-80.20000110N688 N728 Q729N688-S708 WeakPolarHBondContact O-CA 3.04Å; S708-N728 VanDerWaalsContact CB-OD1 3.29Å; S708-N728 WeakPolarHBondContact CB-OD1 3.39Å; S708-N728 WeakPolarHBondContact O-CA 3.41Å; S708-N728 PolarHBondContact O-OD1 3.46Å; S708-Q729 PolarHBondContact O-N 2.84Å
709Q66.4Low65.4Low93 Ų9352.4 Ų52.444%0.43526%0.258SS..EExtended strand (participates in β ladder)trans-118.6104.2170-90.3179.4-20.100108.3N688 Q689 G690 Q729N688-Q709 PolarHBondContact O-N 3.1Å; Q689-Q709 HydrophobicContact CG-CB 4.3Å; G690-Q709 PolarHBondContact N-O 3.46Å; Q709-Q729 HydrophobicContact CG-CB 4.01Å
710S63.3Low65.2Low6 Ų649.9 Ų49.94%0.04225%0.251CS..EExtended strand (participates in β ladder)trans-153141.7-174-78.50000112.9G693 K712 Q729 G730G693-S710 WeakPolarHBondContact CA-OG 3.36Å; G693-S710 PolarHBondContact N-OG 3.34Å; S710-K712 VanDerWaalsContact C-N 3.27Å; S710-K712 VanDerWaalsContact CB-O 3.3Å; S710-K712 WeakPolarHBondContact CB-O 3.43Å; S710-K712 PolarHBondContact O-N 3.36Å; S710-Q729 PolarHBondContact N-O 3.21Å; S710-G730 WeakPolarHBondContact O-CA 3.28Å
711K68Low65.2Low138 Ų13854.4 Ų54.460%0.627%0.266SS*.EExtended strand (participates in β ladder)trans-66.5-29.5178.6-72.8-163.8174.5-168.80113K691 K731 K732K691-K711 PolarHBondContact O-N 3.37Å; K711-K731 PolarHBondContact O-N 3.26Å; K711-K732 PolarHBondContact O-N 3.23Å
712K66.3Low64.7Low122 Ų12253.7 Ų53.753%0.5326%0.263SS..EExtended strand (participates in β ladder)trans-131.1134.3159.4-78.2-165.8169.6-157.20108.3K691 K692 G693 S710 K732K691-K712 PolarHBondContact O-N 3.21Å; K692-K712 WeakPolarHBondContact CA-O 3.3Å; G693-K712 PolarHBondContact N-O 2.92Å; S710-K712 VanDerWaalsContact C-N 3.27Å; S710-K712 VanDerWaalsContact CB-O 3.3Å; S710-K712 WeakPolarHBondContact CB-O 3.43Å; S710-K712 PolarHBondContact O-N 3.36Å; K712-K732 WeakPolarHBondContact CA-O 3.45Å
713G60.7Low64.1Low6 Ų651 Ų516%0.06225%0.252CS..EExtended strand (participates in β ladder)trans-155.3149.6172.400000113.8G693 K732 G733 E734G693-G713 WeakPolarHBondContact O-CA 3.04Å; G713-K732 PolarHBondContact N-O 2.88Å; G713-G733 WeakPolarHBondContact O-CA 3.43Å; G713-E734 PolarHBondContact O-N 3.01Å
714E62.8Low63.7Low95 Ų9553 Ų5344%0.44426%0.262SS..  trans-104.3162.4-175.6-74146-131.100111G693 G695G693-E714 PolarHBondContact O-N 3.07Å; G695-E714 PolarHBondContact N-O 3.12Å
715G57.8Low63.1Low33 Ų3351 Ų5134%0.3426%0.257SS..  trans-60151.2-157.400000117.4G695 G735G695-G715 WeakPolarHBondContact CA-O 3.38Å; G715-G735 VanDerWaalsContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.37Å
716T61.1Low62.7Low16 Ų1653.4 Ų53.410%0.09827%0.267CS..  trans-96.4145.6169.746.60000111.1V706 A736 S737V706-T716 HydrophobicContact CB-CG2 3.86Å; V706-T716 HydrophobicContact CG1-CG2 3.68Å; T716-A736 WeakPolarHBondContact O-CA 3.34Å; T716-A736 WeakPolarHBondContact OG1-CB 3.44Å; T716-S737 PolarHBondContact O-N 2.92Å
717Q65.2Low62.4Low79 Ų7954.1 Ų54.137%0.36927%0.272SS..EExtended strand (participates in β ladder)trans-123.6119.5-178.6-101.4-174.2-8.300112.2A696 Q697 N698 S737A696-Q717 PolarHBondContact O-N 2.97Å; Q697-Q717 WeakPolarHBondContact CA-O 3.22Å; Q697-Q717 HydrophobicContact CG-CB 3.97Å; N698-Q717 PolarHBondContact N-O 3.17Å; Q717-S737 WeakPolarHBondContact CA-O 3.32Å
718N65.3Low61.9Low10 Ų1051.6 Ų51.65%0.05326%0.261CS..EExtended strand (participates in β ladder)trans-120.6130.4175.4-91.36.6000110.1N698 S737 N738 Q739N698-N718 WeakPolarHBondContact CB-OD1 3.43Å; N718-S737 PolarHBondContact N-O 3.02Å; N718-N738 WeakPolarHBondContact CB-OD1 3.44Å; N718-Q739 PolarHBondContact O-N 2.92Å
719Q69.1Low61.7Low80 Ų8055 Ų5537%0.37428%0.276SS..EExtended strand (participates in β ladder)trans-134.6124.7174.3-63.4-176.3400111.4N698 G700 Q739N698-Q719 PolarHBondContact O-N 3.22Å; N698-Q719 VanDerWaalsContact O-N 3.16Å; G700-Q719 PolarHBondContact N-O 3.08Å; G700-Q719 VanDerWaalsContact N-O 3.08Å; Q719-Q739 HydrophobicContact CG-CB 4.5Å
720G67.3Low61.4Low19 Ų1951.5 Ų51.520%0.19627%0.266CS..EExtended strand (participates in β ladder)trans-175.3-176.1-178.600000118.6G700 Q739 N740G700-G720 WeakPolarHBondContact O-CA 3.31Å; G720-Q739 PolarHBondContact N-O 3.03Å; G720-N740 VanDerWaalsContact C-OD1 3.22Å; G720-N740 VanDerWaalsContact CA-OD1 3.25Å; G720-N740 WeakPolarHBondContact CA-OD1 3.46Å; G720-N740 PolarHBondContact N-OD1 3.07Å; G720-N740 PolarHBondContact O-OD1 2.9Å
721K68.6Low61.4Low112 Ų11258.1 Ų58.149%0.48729%0.294SS..EExtended strand (participates in β ladder)trans-93.5-23.1175.5-74.2-159.2176.6-166.50113.3K701K701-K721 PolarHBondContact O-N 3.06Å
722K65.6Low60.9Low119 Ų11956.8 Ų56.852%0.51729%0.288SS..EExtended strand (participates in β ladder)trans-144.7143.4167.8-73.5-165.5173.5-165.10107K701 K702 A703 K742K701-K722 PolarHBondContact O-N 2.84Å; K702-K722 VanDerWaalsContact CA-O 3.25Å; K702-K722 WeakPolarHBondContact CA-O 3.5Å; K702-K722 HydrophobicContact CG-CB 4.18Å; A703-K722 PolarHBondContact N-O 3.29Å; K722-K742 WeakPolarHBondContact CA-O 3.47Å; K722-K742 HydrophobicContact CG-CB 4.41Å
723G59.6Low60.4Low0 Ų051.8 Ų51.80%027%0.272CS..  trans174.6142.5174.300000113.6A703 N740 K742 T743A703-G723 CarbonylContact O-C 3.57Å; A703-G723 WeakPolarHBondContact O-CA 3.34Å; G723-N740 WeakPolarHBondContact CA-ND2 3.47Å; G723-N740 PolarHBondContact O-ND2 3.22Å; G723-K742 PolarHBondContact N-O 2.94Å; G723-T743 VanDerWaalsContact O-CA 3.24Å; G723-T743 WeakPolarHBondContact O-CA 3.41Å; G723-T743 WeakPolarHBondContact O-CB 3.4Å; G723-T743 PolarHBondContact O-OG1 3.16Å; G723-T743 VanDerWaalsContact O-OG1 3.09Å
724D58.7Low60.2Low42 Ų4256.9 Ų56.923%0.22529%0.294CS..  trans-112.7131.8-160.1-48.4-48.1000109.4K702 A703 G705 D744K702-D724 IonicContact NZ-OD2 2.62Å; K702-D724 PolarHBondContact NZ-OD2 3.18Å; A703-D724 PolarHBondContact O-N 2.93Å; G705-D724 VanDerWaalsContact CA-O 3.32Å; G705-D724 WeakPolarHBondContact CA-O 3.45Å; G705-D724 PolarHBondContact N-O 3.26Å; D724-D744 CarbonylContact C-O 3.56Å; D724-D744 VanDerWaalsContact CA-O 3.29Å; D724-D744 WeakPolarHBondContact CA-O 3.43Å; D724-D744 WeakPolarHBondContact CB-O 3.49Å; D724-D744 PolarHBondContact OD1-N 2.95Å
725G54.3Low59.7Low15 Ų1553.7 Ų53.716%0.15529%0.287CS..BIsolated β-bridgetrans-88.4119.3-168.800000112.8D744 V746G725-D744 PolarHBondContact N-O 3.12Å; G725-V746 PolarHBondContact O-N 3.13Å; G725-V746 VanDerWaalsContact O-N 3.08Å
726N51.4Low59.7Low62 Ų6252.9 Ų52.933%0.33228%0.276SS..  trans-108.1146-175.8-142.2-14.5000110.2G705 Q707G705-N726 WeakPolarHBondContact O-CB 3.46Å; G705-N726 PolarHBondContact O-ND2 3.27Å; Q707-N726 HydrophobicContact CG-CB 4.16Å; Q707-N726 WeakPolarHBondContact CG-ND2 3.29Å; Q707-N726 PolarHBondContact NE2-ND2 3.44Å; Q707-N726 PolarHBondContact NE2-OD1 3.44Å
727P53.7Low59.5Low18 Ų1853.8 Ų53.812%0.11728%0.283CS..  trans-70.4142.9-167.5-25.337.2000116.4Q729 V746 A747 N748P727-Q729 HydrophobicContact CB-CG 4.36Å; P727-V746 HydrophobicContact CG-CB 4.42Å; P727-V746 HydrophobicContact CG-CG1 4.13Å; P727-A747 WeakPolarHBondContact CB-O 3.47Å; P727-A747 VanDerWaalsContact CG-O 3.29Å; P727-A747 WeakPolarHBondContact CG-O 3.43Å; P727-N748 WeakPolarHBondContact CA-OD1 3.47Å
728N53.2Low59.2Low18 Ų1850.6 Ų50.610%0.09627%0.269CS..EExtended strand (participates in β ladder)trans-91.8130.3154.7-170.27.4000108.4S708 N748S708-N728 VanDerWaalsContact CB-OD1 3.29Å; S708-N728 WeakPolarHBondContact CB-OD1 3.39Å; S708-N728 WeakPolarHBondContact O-CA 3.41Å; S708-N728 PolarHBondContact O-OD1 3.46Å; N728-N748 PolarHBondContact N-OD1 3.44Å; N728-N748 PolarHBondContact O-OD1 2.98Å
729Q58.2Low59.2Low71 Ų7154.3 Ų54.333%0.33229%0.286SS..EExtended strand (participates in β ladder)trans-123.9116.2-177.2-73.9-177-11.500110.9S708 Q709 S710 P727S708-Q729 PolarHBondContact O-N 2.84Å; Q709-Q729 HydrophobicContact CG-CB 4.01Å; S710-Q729 PolarHBondContact N-O 3.21Å; P727-Q729 HydrophobicContact CB-CG 4.36Å
730G59.5Low58.8Low21 Ų2150.6 Ų50.622%0.21627%0.269CS..EExtended strand (participates in β ladder)trans-168.2161-175.100000115.4S710 G750 T751S710-G730 WeakPolarHBondContact O-CA 3.28Å; G730-G750 WeakPolarHBondContact O-CA 3.39Å; G730-T751 PolarHBondContact O-N 3.39Å
731K62.5Low58.7Low144 Ų14457.4 Ų57.463%0.62629%0.288SS*.SBendtrans-77.1-25.3177.8-78.2-152.2170.8-160.70113.3K711 K752K711-K731 PolarHBondContact O-N 3.26Å; K731-K752 PolarHBondContact O-N 3.45Å
732K59.1Low58.3Low110 Ų11057.6 Ų57.648%0.47829%0.289SS..EExtended strand (participates in β ladder)trans-144.7138.4167.7-66.9-164.7172.6-159.90108.2K711 K712 G713 K752K711-K732 PolarHBondContact O-N 3.23Å; K712-K732 WeakPolarHBondContact CA-O 3.45Å; G713-K732 PolarHBondContact N-O 2.88Å; K732-K752 WeakPolarHBondContact CA-O 3.43Å; K732-K752 HydrophobicContact CG-CB 4.4Å
733G54.3Low57.9Low18 Ų1852 Ų5219%0.18627%0.265CS..EExtended strand (participates in β ladder)trans-164.7153.2171.100000113.3G713 K752 Q753 E754G713-G733 WeakPolarHBondContact O-CA 3.43Å; G733-K752 PolarHBondContact N-O 3.41Å; G733-Q753 WeakPolarHBondContact O-CA 3.4Å; G733-E754 PolarHBondContact O-N 2.71Å
734E56.8Low57.7Low112 Ų11257.1 Ų57.152%0.52329%0.292SS..EExtended strand (participates in β ladder)trans-98.2158.4-178.7-73.1161.3-139.700111G713G713-E734 PolarHBondContact O-N 3.01Å
735G53.1Low57.2Low29 Ų2956.6 Ų56.630%0.29929%0.291SS..PPolyproline II helixtrans-59.8140.9-160.600000117.3G715 E754 G755G715-G735 VanDerWaalsContact CA-O 3.31Å; G715-G735 WeakPolarHBondContact CA-O 3.37Å; G735-E754 PolarHBondContact N-O 3.03Å; G735-G755 WeakPolarHBondContact CA-O 3.45Å
736A56.3Low57Low15 Ų1559.2 Ų59.212%0.12430%0.304CS..PPolyproline II helixtrans-76.8147.5162.500000110.6T716 S757T716-A736 WeakPolarHBondContact O-CA 3.34Å; T716-A736 WeakPolarHBondContact OG1-CB 3.44Å; A736-S757 PolarHBondContact O-N 2.95Å
737S58.6Low56.9Low35 Ų3557.2 Ų57.225%0.24530%0.296CS..EExtended strand (participates in β ladder)trans-122122.1173.3-174.20000110.6T716 Q717 N718 S757T716-S737 PolarHBondContact O-N 2.92Å; Q717-S737 WeakPolarHBondContact CA-O 3.32Å; N718-S737 PolarHBondContact N-O 3.02Å; S737-S757 WeakPolarHBondContact CA-O 3.43Å
738N58.6Low56.6Low13 Ų1357.9 Ų57.97%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-132.5105.1-171.5-1648.9000109.6N718 N740 S757 N758 Q759N718-N738 WeakPolarHBondContact CB-OD1 3.44Å; N738-N740 PolarHBondContact OD1-ND2 3.5Å; N738-S757 PolarHBondContact N-O 3.03Å; N738-S757 VanDerWaalsContact N-O 3.1Å; N738-N758 WeakPolarHBondContact CB-OD1 3.32Å; N738-N758 WeakPolarHBondContact O-CA 3.16Å; N738-Q759 PolarHBondContact O-N 3.4Å; N738-Q759 VanDerWaalsContact O-N 3.1Å
739Q65.4Low56.6Low88 Ų8863.2 Ų63.241%0.41132%0.323SS..EExtended strand (participates in β ladder)trans-105.289178.3-69.1-172.4-8.600109.6N718 Q719 G720N718-Q739 PolarHBondContact O-N 2.92Å; Q719-Q739 HydrophobicContact CG-CB 4.5Å; G720-Q739 PolarHBondContact N-O 3.03Å
740N60.1Low56.3Low2 Ų261.2 Ų61.21%0.01132%0.321CS..EExtended strand (participates in β ladder)trans-133.8125.5-174-92.7-40.4000111.8G720 G723 N738 K742 Q759G720-N740 VanDerWaalsContact C-OD1 3.22Å; G720-N740 VanDerWaalsContact CA-OD1 3.25Å; G720-N740 WeakPolarHBondContact CA-OD1 3.46Å; G720-N740 PolarHBondContact N-OD1 3.07Å; G720-N740 PolarHBondContact O-OD1 2.9Å; G723-N740 WeakPolarHBondContact CA-ND2 3.47Å; G723-N740 PolarHBondContact O-ND2 3.22Å; N738-N740 PolarHBondContact OD1-ND2 3.5Å; N740-K742 PolarHBondContact O-N 3.24Å; N740-Q759 PolarHBondContact N-O 3.4Å
741R64.3Low56.2Low161 Ų16164.6 Ų64.661%0.60834%0.338SS*.SBendtrans-67.6-22-176.8-54.1-176.3-175.5-159-3.8113.9
742K61.5Low55.9Low116 Ų11663.5 Ų63.550%0.50433%0.333SS..SBendtrans-145.4136.2168.8-62.1-168.6175.5-162.60107.5K722 G723 N740K722-K742 WeakPolarHBondContact CA-O 3.47Å; K722-K742 HydrophobicContact CG-CB 4.41Å; G723-K742 PolarHBondContact N-O 2.94Å; N740-K742 PolarHBondContact O-N 3.24Å
743T56.3Low55.5Low2 Ų260.9 Ų60.91%0.01232%0.322CS..  trans-152.9133-175168.50000110.2G723 T745 V760G723-T743 VanDerWaalsContact O-CA 3.24Å; G723-T743 WeakPolarHBondContact O-CA 3.41Å; G723-T743 WeakPolarHBondContact O-CB 3.4Å; G723-T743 PolarHBondContact O-OG1 3.16Å; G723-T743 VanDerWaalsContact O-OG1 3.09Å; T743-T745 PolarHBondContact OG1-OG1 3.17Å; T743-V760 HydrophobicContact CG2-CB 4.16Å; T743-V760 HydrophobicContact CG2-CG1 3.57Å; T743-V760 HydrophobicContact CG2-CG2 3.49Å; T743-V760 VanDerWaalsContact CG2-CG2 3.49Å
744D55.9Low55.5Low107 Ų10766 Ų6657%0.57234%0.341SS*.  trans-97.1125163-56.6-28.2000107.6D724 G725D724-D744 CarbonylContact C-O 3.56Å; D724-D744 VanDerWaalsContact CA-O 3.29Å; D724-D744 WeakPolarHBondContact CA-O 3.43Å; D724-D744 WeakPolarHBondContact CB-O 3.49Å; D724-D744 PolarHBondContact OD1-N 2.95Å; G725-D744 PolarHBondContact N-O 3.12Å
745T48.6Very low55.3Low32 Ų3262.8 Ų62.820%0.19634%0.339CS..BIsolated β-bridgetrans-114.9133.3-170.5-53.70000111.5T743T743-T745 PolarHBondContact OG1-OG1 3.17Å
746V49.2Very low55.2Low70 Ų7064.4 Ų64.442%0.42434%0.342SS..  trans-112.2145.3172.1-176.10000110.3G725 P727 Q779G725-V746 PolarHBondContact O-N 3.13Å; G725-V746 VanDerWaalsContact O-N 3.08Å; P727-V746 HydrophobicContact CG-CB 4.42Å; P727-V746 HydrophobicContact CG-CG1 4.13Å; V746-Q779 CarbonylContact C-O 3.49Å
747A48.8Very low55Low19 Ų1967 Ų6716%0.15736%0.36CS..  trans-70.4133.3-162.700000113.6P727 Q779P727-A747 WeakPolarHBondContact CB-O 3.47Å; P727-A747 VanDerWaalsContact CG-O 3.29Å; P727-A747 WeakPolarHBondContact CG-O 3.43Å; A747-Q779 PolarHBondContact N-O 3.28Å
748N48.4Very low54.7Low33 Ų3368.2 Ų68.218%0.17636%0.364CS..  trans-65.4146.3162.5-76.9-42.3000110.4P727 N728P727-N748 WeakPolarHBondContact CA-OD1 3.47Å; N728-N748 PolarHBondContact N-OD1 3.44Å; N728-N748 PolarHBondContact O-OD1 2.98Å
749Q52.2Low54.7Low130 Ų13073.9 Ų73.961%0.60739%0.39SS*.EExtended strand (participates in β ladder)trans-132.2107.1172.9-67-173.319.600109.5
750G53.5Low54Low29 Ų2972.1 Ų72.130%0.29939%0.385SS..EExtended strand (participates in β ladder)trans-145.4152.5178.100000112.7G730G730-G750 WeakPolarHBondContact O-CA 3.39Å
751T57.5Low53.6Low91 Ų9181 Ų8156%0.55842%0.424SS*.SBendtrans-87.9-15-176-23.40000113.6G730G730-T751 PolarHBondContact O-N 3.39Å
752K55.6Low52.7Low122 Ų12281.1 Ų81.153%0.5343%0.428SS..SBendtrans-151133.1161.4-76.2-157.5169.5-149.40107.1K731 K732 G733K731-K752 PolarHBondContact O-N 3.45Å; K732-K752 WeakPolarHBondContact CA-O 3.43Å; K732-K752 HydrophobicContact CG-CB 4.4Å; G733-K752 PolarHBondContact N-O 3.41Å
753Q51Low52Low55 Ų5579 Ų7926%0.25743%0.429SS..EExtended strand (participates in β ladder)trans-141.8131.1178.4-178167.2-1.300108.9G733G733-Q753 WeakPolarHBondContact O-CA 3.4Å
754E54.1Low51.4Low124 Ų12486.9 Ų86.958%0.57947%0.465SS*.EExtended strand (participates in β ladder)trans-116111.6-175.6-74.6161.7-140.900109.1G733 G735G733-E754 PolarHBondContact O-N 2.71Å; G735-E754 PolarHBondContact N-O 3.03Å
755G52.8Low50.8Low46 Ų4683.1 Ų83.147%0.47445%0.452SS..  trans75.6144.5-179.100000115.8G735G735-G755 WeakPolarHBondContact CA-O 3.45Å
756V50Low50.2Low62 Ų6283.3 Ų83.338%0.37645%0.454SS..  trans-146.7128160.7179.50000107.1N758V756-N758 WeakPolarHBondContact CG1-ND2 3.33Å
757S52.5Low49.7Very low70 Ų7085 Ų8549%0.4947%0.467SS..EExtended strand (participates in β ladder)trans-12495-179.8-169.50000111.2A736 S737 N738A736-S757 PolarHBondContact O-N 2.95Å; S737-S757 WeakPolarHBondContact CA-O 3.43Å; N738-S757 PolarHBondContact N-O 3.03Å; N738-S757 VanDerWaalsContact N-O 3.1Å
758N53.2Low49.2Very low60 Ų6088 Ų8832%0.32148%0.48SS..EExtended strand (participates in β ladder)trans-109.7111.5-179.9-67.4-26.7000109.6N738 V756 V760N738-N758 WeakPolarHBondContact CB-OD1 3.32Å; N738-N758 WeakPolarHBondContact O-CA 3.16Å; V756-N758 WeakPolarHBondContact CG1-ND2 3.33Å; N758-V760 HydrophobicContact CB-CG2 4.2Å
759Q57.1Low48.8Very low132 Ų13295.2 Ų95.262%0.61751%0.512SS*.EExtended strand (participates in β ladder)trans-96.4113.2169.1-74.4-166.16.300109.9N738 N740N738-Q759 PolarHBondContact O-N 3.4Å; N738-Q759 VanDerWaalsContact O-N 3.1Å; N740-Q759 PolarHBondContact N-O 3.4Å
760V51.2Low48.4Very low52 Ų5291 Ų9132%0.31551%0.505SS..EExtended strand (participates in β ladder)trans-131.9139.5-170.7-177.70000110.3T743 N758 K762T743-V760 HydrophobicContact CG2-CB 4.16Å; T743-V760 HydrophobicContact CG2-CG1 3.57Å; T743-V760 HydrophobicContact CG2-CG2 3.49Å; T743-V760 VanDerWaalsContact CG2-CG2 3.49Å; N758-V760 HydrophobicContact CB-CG2 4.2Å; V760-K762 WeakPolarHBondContact CG1-O 3.47Å
761K51.1Low47.8Very low189 Ų18999.2 Ų99.282%0.82253%0.532SS*.SBendtrans-123.414.2177.3-73.7-160.1171.9-168.30115.3
762K47.2Very low47Very low162 Ų162104.8 Ų104.870%0.70455%0.548SS*.SBendtrans-176.7140154.8-106.2174.1-176.8-169.80109.1V760V760-K762 WeakPolarHBondContact CG1-O 3.47Å
763S46.4Very low46Very low73 Ų73102.3 Ų102.351%0.5155%0.551SS.*  trans-156148.1-172.149.30000113
764E44.1Very low45.3Very low167 Ų167108.6 Ų108.678%0.7858%0.58SS**  trans-122.8150.8162.3-67.4-178.6-171.500109.5
765G42.5Very low44.4Very low28 Ų28106.2 Ų106.229%0.28959%0.589SS.*  trans178.6-172.4-178.400000115.5
766S36.1Very low43.3Very low36 Ų36108.1 Ų108.125%0.25260%0.6SS.*  trans-145.5171.4176.8-53.80000112.7Q779 G780 K781S766-Q779 VanDerWaalsContact N-CG 3.32Å; S766-Q779 CarbonylContact O-C 3.5Å; S766-Q779 VanDerWaalsContact O-C 3.3Å; S766-Q779 WeakPolarHBondContact O-CA 3.47Å; S766-Q779 WeakPolarHBondContact O-CB 3.45Å; S766-Q779 WeakPolarHBondContact O-CG 3.31Å; S766-G780 CarbonylContact C-O 3.54Å; S766-G780 VanDerWaalsContact CB-O 3.32Å; S766-G780 WeakPolarHBondContact CB-O 3.07Å; S766-G780 PolarHBondContact O-N 3Å; S766-K781 WeakPolarHBondContact OG-CE 3.5Å
767P38.6Very low42.5Very low105 Ų105109.9 Ų109.968%0.68261%0.613SS**  trans-65.7158.7-160.1-2736.8000118.2
768N38.5Very low41.2Very low83 Ų83110.5 Ų110.544%0.44461%0.61SS.*  trans-96.3147.1176.5-170.617000111.4
769Q38.9Very low40Very low183 Ų183109.7 Ų109.786%0.85561%0.605SS**  trans-127.589.7178-74.4-165.6-2.800112.3
770G45Very low38.7Very low43 Ų43103.8 Ų103.844%0.44358%0.579SS.*  trans-114.2123.8169.500000111.4K772G770-K772 PolarHBondContact O-N 3.45Å
771K41.4Very low37.6Very low200 Ų200108.1 Ų108.187%0.8759%0.594SS**SBendtrans-77.9113.6170.4-75.8-168.1175-172.80109.4
772K39.1Very low36.4Very low208 Ų208108 Ų10890%0.90459%0.593SS**SBendtrans62.277.6-175.8-160.3168.8-172171.20113.2G770G770-K772 PolarHBondContact O-N 3.45Å
773A34.2Very low35.5Very low70 Ų70108.4 Ų108.458%0.57960%0.595SS**  trans-107.4136.3171.300000110.7
774E37.9Very low34.4Very low188 Ų188111.3 Ų111.388%0.87961%0.605SS**SBendtrans-98.9122.2158-73.8172.3106.300107.2
775G34.4Very low33.6Very low74 Ų74106.7 Ų106.776%0.76360%0.603SS**SBendtrans105.9135.9-178.600000115
776A30.3Very low32.8Very low86 Ų86111.1 Ų111.171%0.71163%0.629SS**  trans-117178.317300000109.2
777P32Very low32.8Very low98 Ų98114.9 Ų114.964%0.63665%0.653SS**  cis-130.4161.6-7.938.7-23.4000114.6
778N26.2Very low32.1Very low83 Ų83114.9 Ų114.944%0.44466%0.655SS.*  trans53.4133.5144.1-84-17.8000121
779Q28.6Very low31.4Very low43 Ų43119.2 Ų119.220%0.20167%0.673CS.*  cis-163.2174.423.4-93.2142.2-2.500113.1V746 A747 S766V746-Q779 CarbonylContact C-O 3.49Å; A747-Q779 PolarHBondContact N-O 3.28Å; S766-Q779 VanDerWaalsContact N-CG 3.32Å; S766-Q779 CarbonylContact O-C 3.5Å; S766-Q779 VanDerWaalsContact O-C 3.3Å; S766-Q779 WeakPolarHBondContact O-CA 3.47Å; S766-Q779 WeakPolarHBondContact O-CB 3.45Å; S766-Q779 WeakPolarHBondContact O-CG 3.31Å
780G28.8Very low31Very low8 Ų8115.2 Ų115.28%0.08267%0.671CS.*  trans-177.8-176165.400000117.4S766S766-G780 CarbonylContact C-O 3.54Å; S766-G780 VanDerWaalsContact CB-O 3.32Å; S766-G780 WeakPolarHBondContact CB-O 3.07Å; S766-G780 PolarHBondContact O-N 3Å
781K27.4Very low30.1Very low143 Ų143122.1 Ų122.162%0.62269%0.689SS**  trans-159.7169.2-174.4-90.2151.5166.7161.20110.2S766S766-K781 WeakPolarHBondContact OG-CE 3.5Å
782K27.8Very low29.4Very low186 Ų186122.3 Ų122.381%0.80969%0.69SS**  cis-173.6146.6-43-163.2-178.1-176.5-178.30109
783K26.4Very low28.8Very low171 Ų171117.4 Ų117.474%0.74368%0.677SS**  trans66.1167175.8-72.2-166.5161.9-88.50117
784D24.8Very low28.4Very low134 Ų134121.4 Ų121.472%0.71769%0.688SS**  cis-169173.1-33-91.8-5.6000110.2
785G26.6Very low27.9Very low71 Ų71117.1 Ų117.173%0.73269%0.685SS**  trans137149.4157.900000118
786S26.3Very low27.5Very low120 Ų120118.7 Ų118.784%0.83969%0.691SS**  trans-154.9-154.4178.9-70.80000111.8
787P34.7Very low27.3Very low116 Ų116119.3 Ų119.375%0.75370%0.696SS**  -121.8-152.6-86.940.3-24.8000114.3
788S24.1Very low27Very low104 Ų104122.3 Ų122.373%0.72771%0.707SS**  trans85.7157.8159.4-64.80000120
789Q25.6Very low27Very low175 Ų175125.9 Ų125.982%0.81872%0.721SS**  cis-177.6135.4-26.3176.2179.570.300110.8
790A30.1Very low27Very low99 Ų99127.8 Ų127.882%0.81875%0.751SS**  trans162.8138.2155.100000110.7
791K25.1Very low27.2Very low187 Ų187136.2 Ų136.281%0.81379%0.786SS**  cis112.682.5-6.2-158.7-175.5-178.7-175.90118.2
792K27.4Very low27.1Very low205 Ų205139.2 Ų139.289%0.89180%0.799SS**  trans-172.3131.5142.9-105.3-177.5177.2-173.10107.9
793V26.8Very low27Very low104 Ų104135.1 Ų135.163%0.6379%0.794SS**  cis110.3110.310.3179.80000113.5
794D25.4Very low27.1Very low154 Ų154136.2 Ų136.282%0.82480%0.802SS**  trans50.8131.9153.4-50.8-17.4000124.1
795A27.4Very low27Very low99 Ų99138.7 Ų138.782%0.81881%0.811SS**  -165.6132.5124.900000113.7
796A26.8Very low27.2Very low107 Ų107140.1 Ų140.188%0.88482%0.816SS**  trans38.913615000000123.4
797A25.4Very low27.4Very low98 Ų98140.3 Ų140.381%0.8181%0.814SS**  trans-90.4168.1175.700000114.1
798N24.9Very low27.1Very low161 Ų161139.9 Ų139.986%0.86182%0.82SS**  trans-147.9149.9134.7-154.2-12.3000110.9
799Q27.5Very low27.3Very low159 Ų159143.9 Ų143.974%0.74383%0.828SS**  trans-124124174.8-69.7-171.422.400110.5
800G28.5Very low27.5Very low82 Ų82139.7 Ų139.785%0.84583%0.831SS**  trans-115.3130.7165.900000110.4
801K32.6Very low27.5Very low185 Ų185143.9 Ų143.980%0.80483%0.834SS**  trans-111.9152179.7-75.2-178.8179.7174.10111.9
802K24.1Very low27.6Very low206 Ų206145.4 Ų145.490%0.89684%0.84SS**  trans-52.1147.9168.2-64.1172.9167.1-174.20112.6
803S26.6Very low27.5Very low100 Ų100140.6 Ų140.670%0.69984%0.839SS**  -173.8118.1120.652.50000113.9
804E28.5Very low27.5Very low195 Ų195141.6 Ų141.691%0.91185%0.851SS**  trans64.6172138.2-71.7171.8129.800123.1
805M23.5Very low27.5Very low186 Ų186141.9 Ų141.992%0.91685%0.849SS**  trans-149.9168.4-163.1-74.6158.445.900109.2
806A30.1Very low27.6Very low100 Ų100144 Ų14483%0.82685%0.851SS**  trans114.2148.516600000114.9
807P30.6Very low27.6Very low125 Ų125146.5 Ų146.581%0.81285%0.845SS**  trans-103.5161-158.139.4-34.8000114.8
808A27.7Very low27.6Very low106 Ų106147.8 Ų147.888%0.87685%0.848SS**  trans-84.1132.3174.600000112.5
809Q28.4Very low27.5Very low189 Ų189149.6 Ų149.688%0.88385%0.851SS**  trans-104130.5160.2-70-174.2-73.900109.3
810G30.4Very low27.5Very low87 Ų87151.5 Ų151.590%0.89786%0.86SS**  trans-82.6114.7176.600000111.8
811Q29.3Very low27.5Very low186 Ų186151.6 Ų151.687%0.86985%0.853SS**  trans-94.6130.6166-69-177.7-39.200110.3
812K26.9Very low27.3Very low219 Ų219148.9 Ų148.995%0.95285%0.854SS**  trans-140.8139.3152.7-80.2-163.6174.7-175.20108.8
813A25.8Very low27.4Very low104 Ų104148.9 Ų148.986%0.8685%0.854SS**  trans-132.9145.7178.900000109.8
814S26.8Very low27.4Very low126 Ų126153.1 Ų153.188%0.88186%0.863SS**  trans-157.9124.2161.555.40000108.6
815M26.9Very low27.5Very low160 Ų160151.8 Ų151.879%0.78886%0.862SS**  trans-126.5119.3-178.7164.9-173.5163.200107.8
816V28.5Very low27.6Very low142 Ų142147.4 Ų147.486%0.86186%0.856SS**  trans-142.2133.1165.6-179.50000107.8
817Q26.4Very low27.7Very low160 Ų160148.8 Ų148.875%0.74886%0.856SS**  trans-95.4148.1173-62.3162.7-81.800109.4
818S25.3Very low27.4Very low126 Ų126147.2 Ų147.288%0.88185%0.854SS**  trans-154.7137.8152.3-78.50000109
819Q24.2Very low27.5Very low198 Ų198151.8 Ų151.893%0.92585%0.854SS**  trans-144.7116.2-175177.9-176.97.200106.5
820E26Very low27.2Very low199 Ų199152.1 Ų152.193%0.9385%0.852SS**  trans-131.9148.6-177.6-165.4162-167.800110.4
821A28.7Very low27.1Very low84 Ų84158.3 Ų158.369%0.69485%0.854SS**  trans-120.5153.4-162.500000111.9
822P29.3Very low26.8Very low129 Ų129155.2 Ų155.284%0.83885%0.853SS**  trans-78.4153-165.531.4-36.5000113.6
823K26.6Very low26.7Very low205 Ų205148.2 Ų148.289%0.89184%0.844SS**  trans-109.2142.1165.9-84.4-179.2177.7171.90112.3
824Q26.5Very low26.7Very low189 Ų189148.9 Ų148.988%0.88384%0.842SS**  trans-55.1152.2170.4-56.7158.1-65.700112.4
825D29Very low26.6Very low167 Ų167154.1 Ų154.189%0.89384%0.842SS**  trans-140.9127.8152.2-132.5-35.4000109.2
826A25.7Very low26.8Very low95 Ų95156.1 Ų156.179%0.78585%0.847SS**  trans-166.4112.8-175.700000113.8
827P32.8Very low26.6Very low129 Ų129158 Ų15884%0.83884%0.843SS**  trans-117.2145.1163.934.8-23.9000112.8
828A24.5Very low27Very low91 Ų91153.9 Ų153.975%0.75284%0.844SS**  trans-125.9147.1-174.900000114.1
829K29Very low27.3Very low203 Ų203155 Ų15588%0.88384%0.835SS**  trans179.8123.9153-91.6138-168.6175.30107.9
830K23.3Very low28Very low196 Ų196151.7 Ų151.785%0.85283%0.831SS**  58.5102.269-73.6-168.3176-177.20115.2
831K27.5Very low28.1Very low216 Ų216145.5 Ų145.594%0.93982%0.821SS**  -177178.1117.8-103-178.2178.3-1740112.9
832S23.4Very low28.6Very low121 Ų121147.4 Ų147.485%0.84683%0.826SS**  trans-132.5159.6-161.649.20000114.2
833G24.9Very low29.5Very low73 Ų73146.8 Ų146.875%0.75382%0.822SS**  trans117.4115.3137.900000120.5
834S24.5Very low29.9Very low117 Ų117144.7 Ų144.782%0.81882%0.821SS**  trans59.8131.5138.2-168.30000122.4
835R26.1Very low30.1Very low237 Ų237141.7 Ų141.789%0.89482%0.819SS**  174170.6121.7-98.3177.1174.6-149.3-2.1115.7
836K31.4Very low30.4Very low202 Ų202142.1 Ų142.188%0.87882%0.821SS**  trans76.3120.7-178-58-176.5176.6-176.20113.7
837K24.3Very low30.9Very low180 Ų180139.7 Ų139.778%0.78381%0.806SS**  cis69.4125.710.6-139.9-153.1-172.5-1500118E839K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.7Å; K837-E839 PolarHBondContact NZ-OE2 3.01Å
838G33.4Very low31.6Very low75 Ų75140 Ų14077%0.77381%0.808SS**  trans-163.6150.9166.500000109.7
839E32.3Very low32.2Very low148 Ų148143.4 Ų143.469%0.69281%0.812SS**  trans-164.2135.2-162.1-179.6-174.2157.300113.2K837K837-E839 WeakPolarHBondContact CE-OE2 3.38Å; K837-E839 IonicContact NZ-OE2 2.7Å; K837-E839 PolarHBondContact NZ-OE2 3.01Å
840P38.3Very low33.2Very low129 Ų129143.5 Ų143.584%0.83881%0.813SS**  trans-137.8177.4147.738.9-24.8000112.1
841G28.5Very low34.5Very low70 Ų70139 Ų13972%0.72280%0.798SS**  cis173147.6-6.800000111.7
842P40Very low36.3Very low124 Ų124132.6 Ų132.681%0.80578%0.779SS**  trans-113.9-167.7-178.242.4-32.6000113.2
843P46.6Very low38.3Very low115 Ų115135.4 Ų135.475%0.74777%0.772SS**  -124.5-173.9-54.938.7-23.8000111.3
844D35.4Very low40.9Very low162 Ų162140.4 Ų140.487%0.86677%0.773SS**  trans-160.1143.6152.5-118.2-27000113.1
845C30.1Very low43.1Very low125 Ų125137.6 Ų137.685%0.84575%0.751SS**  trans-158.3131.6176.7-88.20000109.9
846D35.8Very low45.2Very low176 Ų176130.5 Ų130.594%0.94173%0.73SS**  trans-148148.4165.7-134.7-24.7000110.9
847G36.4Very low47.3Very low44 Ų44124.5 Ų124.545%0.45471%0.71SS.*  trans-159.9161.6-170.200000115.9L849G847-L849 PolarHBondContact O-N 2.96Å
848P47.2Very low49.8Very low136 Ų136119.5 Ų119.588%0.88370%0.698SS**  trans-79.7106.3-166.6-8.226.1000111.7F850P848-F850 PolarHBondContact O-N 3.17Å
849L37.3Very low51.9Low162 Ų162118 Ų11885%0.84867%0.674SS**  trans-82.6102.9-176.7-73.9174.3000112.9G847G847-L849 PolarHBondContact O-N 2.96Å
850F51.2Low53.8Low205 Ų205114.6 Ų114.690%0.89966%0.663SS**PPolyproline II helixtrans-70.9125.6167.7-132.3-100.1000110.4P848P848-F850 PolarHBondContact O-N 3.17Å
851L49.2Very low55.5Low101 Ų101111.7 Ų111.753%0.52966%0.657SS.*PPolyproline II helixtrans-93.7125.5177.4-64.7178000110.9T855L851-T855 HydrophobicContact CB-CG2 4.47Å; L851-T855 HydrophobicContact CD2-CG2 4.21Å
852P66.5Low57.7Low83 Ų83112.7 Ų112.754%0.53965%0.652SS.*PPolyproline II helixtrans-59.5153.3177.1-25.934.9000113.4K854 T855 L856P852-K854 VanDerWaalsContact C-N 3.3Å; P852-K854 PolarHBondContact O-N 3.32Å; P852-T855 CarbonylContact O-C 3.41Å; P852-T855 VanDerWaalsContact O-CA 3.26Å; P852-T855 WeakPolarHBondContact O-CA 3.33Å; P852-T855 VanDerWaalsContact O-CB 3.23Å; P852-T855 WeakPolarHBondContact O-CB 3.37Å; P852-T855 PolarHBondContact O-N 2.97Å; P852-L856 PolarHBondContact O-N 3.45Å
853Y64.9Low59.4Low180 Ų180112.2 Ų112.271%0.70664%0.641SS**Hα-helixtrans-54.7-39.8-178.6177.6-98.2000114.2T855 L856 V857Y853-T855 VanDerWaalsContact C-N 3.27Å; Y853-T855 PolarHBondContact O-N 3.49Å; Y853-L856 PolarHBondContact O-N 3.11Å; Y853-V857 HydrophobicContact CD1-CG2 4.31Å; Y853-V857 HydrophobicContact CD2-CG2 4.46Å; Y853-V857 HydrophobicContact CE1-CG2 3.82Å; Y853-V857 HydrophobicContact CE2-CG2 3.99Å; Y853-V857 PolarHBondContact O-N 3.38Å
854K78.6Confident60.6Low177 Ų177113.8 Ų113.877%0.7765%0.648SS**Hα-helixtrans-60-40.7173.5-69.8-172.6177.9-176.60111.2P852 S858P852-K854 VanDerWaalsContact C-N 3.3Å; P852-K854 PolarHBondContact O-N 3.32Å; K854-S858 WeakPolarHBondContact O-CB 3.24Å; K854-S858 PolarHBondContact O-N 2.92Å; K854-S858 PolarHBondContact O-OG 3.09Å
855T72.4Confident62.4Low58 Ų58110.9 Ų110.936%0.35663%0.628SS.*Hα-helixtrans-67.5-42.1173.4-45.50000111.4L851 P852 Y853 V857 S858 T859L851-T855 HydrophobicContact CB-CG2 4.47Å; L851-T855 HydrophobicContact CD2-CG2 4.21Å; P852-T855 CarbonylContact O-C 3.41Å; P852-T855 VanDerWaalsContact O-CA 3.26Å; P852-T855 WeakPolarHBondContact O-CA 3.33Å; P852-T855 VanDerWaalsContact O-CB 3.23Å; P852-T855 WeakPolarHBondContact O-CB 3.37Å; P852-T855 PolarHBondContact O-N 2.97Å; Y853-T855 VanDerWaalsContact C-N 3.27Å; Y853-T855 PolarHBondContact O-N 3.49Å; T855-V857 PolarHBondContact O-N 3.48Å; T855-S858 CarbonylContact O-C 3.46Å; T855-S858 WeakPolarHBondContact O-CA 3.49Å; T855-S858 WeakPolarHBondContact O-CB 3.29Å; T855-S858 PolarHBondContact O-N 3.41Å; T855-S858 VanDerWaalsContact O-N 3.07Å; T855-T859 WeakPolarHBondContact O-CB 3.35Å; T855-T859 PolarHBondContact O-N 3.08Å; T855-T859 PolarHBondContact O-OG1 2.96Å
856L68.5Low64.7Low89 Ų89108 Ų10847%0.46661%0.609SS.*Hα-helixtrans-59.3-46176.1178.663.9000112.1P852 Y853 S858 T859 V860P852-L856 PolarHBondContact O-N 3.45Å; Y853-L856 PolarHBondContact O-N 3.11Å; L856-S858 VanDerWaalsContact C-N 3.29Å; L856-S858 PolarHBondContact O-N 3.15Å; L856-T859 WeakPolarHBondContact O-CB 3.29Å; L856-T859 PolarHBondContact O-N 2.85Å; L856-T859 VanDerWaalsContact O-N 3.08Å; L856-V860 HydrophobicContact CD1-CG2 4.33Å; L856-V860 WeakPolarHBondContact O-CG2 3.27Å; L856-V860 PolarHBondContact O-N 3.47Å
857V76.3Confident66.3Low76 Ų76107.1 Ų107.146%0.46160%0.599SS.*Hα-helixtrans-65.6-33.7174.8177.30000111Y853 T855 G861Y853-V857 HydrophobicContact CD1-CG2 4.31Å; Y853-V857 HydrophobicContact CD2-CG2 4.46Å; Y853-V857 HydrophobicContact CE1-CG2 3.82Å; Y853-V857 HydrophobicContact CE2-CG2 3.99Å; Y853-V857 PolarHBondContact O-N 3.38Å; T855-V857 PolarHBondContact O-N 3.48Å; V857-G861 WeakPolarHBondContact O-CA 3.41Å; V857-G861 PolarHBondContact O-N 3.24Å
858S76.8Confident68.3Low75 Ų75107.4 Ų107.452%0.52460%0.602SS.*Hα-helixtrans-72.7-23.7169.6-61.30000114.2K854 T855 L856 G861 S862K854-S858 WeakPolarHBondContact O-CB 3.24Å; K854-S858 PolarHBondContact O-N 2.92Å; K854-S858 PolarHBondContact O-OG 3.09Å; T855-S858 CarbonylContact O-C 3.46Å; T855-S858 WeakPolarHBondContact O-CA 3.49Å; T855-S858 WeakPolarHBondContact O-CB 3.29Å; T855-S858 PolarHBondContact O-N 3.41Å; T855-S858 VanDerWaalsContact O-N 3.07Å; L856-S858 VanDerWaalsContact C-N 3.29Å; L856-S858 PolarHBondContact O-N 3.15Å; S858-G861 CarbonylContact O-C 3.53Å; S858-S862 WeakPolarHBondContact O-CB 3.38Å; S858-S862 PolarHBondContact O-N 3.17Å; S858-S862 PolarHBondContact O-OG 3.22Å
859T78.5Confident69.8Low42 Ų42105.9 Ų105.926%0.25858%0.583SS.*Hα-helixtrans-77.5-52.3175.7-62.20000109T855 L856 G861 S862 M863T855-T859 WeakPolarHBondContact O-CB 3.35Å; T855-T859 PolarHBondContact O-N 3.08Å; T855-T859 PolarHBondContact O-OG1 2.96Å; L856-T859 WeakPolarHBondContact O-CB 3.29Å; L856-T859 PolarHBondContact O-N 2.85Å; L856-T859 VanDerWaalsContact O-N 3.08Å; T859-G861 PolarHBondContact O-N 3.37Å; T859-S862 PolarHBondContact O-N 3.48Å; T859-S862 VanDerWaalsContact O-N 3.09Å; T859-S862 PolarHBondContact O-OG 2.86Å; T859-M863 HydrophobicContact CG2-CG 4.24Å; T859-M863 HydrophobicContact CG2-SD 3.78Å; T859-M863 WeakPolarHBondContact O-CB 3.39Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.44Å; T859-M863 PolarHBondContact O-N 3.37Å
860V70.8Confident71.6Confident78 Ų78100 Ų10047%0.47356%0.558SS.*Hα-helixtrans-57.7-36.4169.8176.50000110.8L856 F865L856-V860 HydrophobicContact CD1-CG2 4.33Å; L856-V860 WeakPolarHBondContact O-CG2 3.27Å; L856-V860 PolarHBondContact O-N 3.47Å; V860-F865 HydrophobicContact CG1-CE2 3.84Å; V860-F865 HydrophobicContact CG1-CZ 4.21Å; V860-F865 WeakPolarHBondContact O-CE2 3.12Å
861G75.6Confident72.9Confident68 Ų6895.4 Ų95.470%0.70154%0.539SS*.THydrogen-bonded Turntrans-82.6-0.6177.100000116.4V857 S858 T859V857-G861 WeakPolarHBondContact O-CA 3.41Å; V857-G861 PolarHBondContact O-N 3.24Å; S858-G861 CarbonylContact O-C 3.53Å; T859-G861 PolarHBondContact O-N 3.37Å
862S74.7Confident74.3Confident90 Ų9098.6 Ų98.663%0.62954%0.544SS*.THydrogen-bonded Turntrans-124-15.8172.7580000113.6S858 T859 V864S858-S862 WeakPolarHBondContact O-CB 3.38Å; S858-S862 PolarHBondContact O-N 3.17Å; S858-S862 PolarHBondContact O-OG 3.22Å; T859-S862 PolarHBondContact O-N 3.48Å; T859-S862 VanDerWaalsContact O-N 3.09Å; T859-S862 PolarHBondContact O-OG 2.86Å; S862-V864 PolarHBondContact O-N 3.2Å
863M73.7Confident74.6Confident115 Ų115100.1 Ų100.157%0.56755%0.547SS*.SBendtrans-68.5117.4163.9-73.6178.672.500109.1T859 F865T859-M863 HydrophobicContact CG2-CG 4.24Å; T859-M863 HydrophobicContact CG2-SD 3.78Å; T859-M863 WeakPolarHBondContact O-CB 3.39Å; T859-M863 VanDerWaalsContact O-CG 3.24Å; T859-M863 WeakPolarHBondContact O-CG 3.44Å; T859-M863 PolarHBondContact O-N 3.37Å; M863-F865 HydrophobicContact CB-CE2 4.37Å; M863-F865 WeakPolarHBondContact O-CD2 3.47Å; M863-F865 PolarHBondContact O-N 3.35Å
864V72.1Confident75.1Confident147 Ų14796.2 Ų96.289%0.89154%0.538SS*.  trans-75.394.3172.6-1780000108S862S862-V864 PolarHBondContact O-N 3.2Å
865F72.9Confident75.1Confident102 Ų10292.1 Ų92.145%0.44752%0.521SS..  trans-63.8143.9169-71.8-86.4000110.8V860 M863 E869V860-F865 HydrophobicContact CG1-CE2 3.84Å; V860-F865 HydrophobicContact CG1-CZ 4.21Å; V860-F865 WeakPolarHBondContact O-CE2 3.12Å; M863-F865 HydrophobicContact CB-CE2 4.37Å; M863-F865 WeakPolarHBondContact O-CD2 3.47Å; M863-F865 PolarHBondContact O-N 3.35Å; F865-E869 HydrophobicContact CD1-CB 3.99Å
866S80.2Confident75.4Confident63 Ų6394.8 Ų94.844%0.44153%0.532SS..  trans-78.1156.9164.369.20000111.1G868 E869 A870S866-G868 VanDerWaalsContact C-N 3.27Å; S866-G868 PolarHBondContact O-N 3.02Å; S866-E869 WeakPolarHBondContact CB-OE2 3.4Å; S866-E869 PolarHBondContact N-OE2 3.41Å; S866-E869 PolarHBondContact O-N 2.88Å; S866-E869 VanDerWaalsContact OG-CD 3.29Å; S866-E869 WeakPolarHBondContact OG-CG 3.42Å; S866-E869 PolarHBondContact OG-OE2 3.44Å; S866-A870 PolarHBondContact O-N 2.97Å
867E69.4Low75.6Confident159 Ų15996.2 Ų96.274%0.74354%0.54SS*.Hα-helixtrans-55-40.3-177.4-168.7172.7-179.400112.6E869 A870 Q871E867-E869 VanDerWaalsContact C-N 3.33Å; E867-E869 PolarHBondContact O-N 2.86Å; E867-A870 PolarHBondContact O-N 3.19Å; E867-Q871 PolarHBondContact O-N 3.47Å; E867-Q871 PolarHBondContact O-OE1 3.05Å
868G78.2Confident75.4Confident49 Ų4996 Ų9651%0.50554%0.541SS..Hα-helixtrans-66.5-28177.700000114.8S866 R872S866-G868 VanDerWaalsContact C-N 3.27Å; S866-G868 PolarHBondContact O-N 3.02Å; G868-R872 PolarHBondContact O-N 2.77Å
869E79Confident74.7Confident104 Ų10499.6 Ų99.649%0.48655%0.55SS..Hα-helixtrans-77.5-34.1176.4-66.1164.7123.100111.2F865 S866 E867 L873F865-E869 HydrophobicContact CD1-CB 3.99Å; S866-E869 WeakPolarHBondContact CB-OE2 3.4Å; S866-E869 PolarHBondContact N-OE2 3.41Å; S866-E869 PolarHBondContact O-N 2.88Å; S866-E869 VanDerWaalsContact OG-CD 3.29Å; S866-E869 WeakPolarHBondContact OG-CG 3.42Å; S866-E869 PolarHBondContact OG-OE2 3.44Å; E867-E869 VanDerWaalsContact C-N 3.33Å; E867-E869 PolarHBondContact O-N 2.86Å; E869-L873 PolarHBondContact O-N 2.96Å
870A74.7Confident73.9Confident40 Ų40106.6 Ų106.633%0.33158%0.577SS.*Hα-helixtrans-65.7-44.5171.100000111.6S866 E867 R872 L873 I874S866-A870 PolarHBondContact O-N 2.97Å; E867-A870 PolarHBondContact O-N 3.19Å; A870-R872 VanDerWaalsContact C-N 3.34Å; A870-R872 PolarHBondContact O-N 3.16Å; A870-L873 PolarHBondContact O-N 3.46Å; A870-L873 VanDerWaalsContact O-N 3.11Å; A870-I874 WeakPolarHBondContact O-CG1 3.32Å; A870-I874 PolarHBondContact O-N 3.49Å; A870-I874 VanDerWaalsContact O-N 3.14Å
871Q78.3Confident72.8Confident108 Ų108108.8 Ų108.851%0.50559%0.59SS.*Hα-helixtrans-55.3-46.8176.7-116.570.6-12.700112.2E867 L873 I874 E875E867-Q871 PolarHBondContact O-N 3.47Å; E867-Q871 PolarHBondContact O-OE1 3.05Å; Q871-L873 PolarHBondContact O-N 2.92Å; Q871-I874 PolarHBondContact O-N 3.1Å; Q871-I874 VanDerWaalsContact O-N 3.13Å; Q871-E875 WeakPolarHBondContact O-CB 3.37Å; Q871-E875 PolarHBondContact O-N 3.36Å
872R78.1Confident71.1Confident167 Ų167108.3 Ų108.363%0.6359%0.585SS**Hα-helixtrans-55.3-37.9176.8-82.6-65.8-162.7-171.74.3113.4G868 A870 E875 I876G868-R872 PolarHBondContact O-N 2.77Å; A870-R872 VanDerWaalsContact C-N 3.34Å; A870-R872 PolarHBondContact O-N 3.16Å; R872-E875 IonicContact NH1-OE2 3.71Å; R872-E875 PolarHBondContact NH1-OE2 3.38Å; R872-I876 WeakPolarHBondContact O-CD1 3.17Å; R872-I876 WeakPolarHBondContact O-CG1 3.45Å
873L73Confident69.6Low115 Ų115110.9 Ų110.960%0.60260%0.597SS**Hα-helixtrans-74.4-35.1-179.8-165.267.1000111.8E869 A870 Q871 L877E869-L873 PolarHBondContact O-N 2.96Å; A870-L873 PolarHBondContact O-N 3.46Å; A870-L873 VanDerWaalsContact O-N 3.11Å; Q871-L873 PolarHBondContact O-N 2.92Å; L873-L877 WeakPolarHBondContact O-CD1 3.43Å; L873-L877 WeakPolarHBondContact O-CG 3.31Å
874I76.2Confident67.6Low99 Ų99112.8 Ų112.851%0.50861%0.608SS.*Hα-helixtrans-72.6-40.5178.1-64.9164.1000111.3A870 Q871 L877 S878A870-I874 WeakPolarHBondContact O-CG1 3.32Å; A870-I874 PolarHBondContact O-N 3.49Å; A870-I874 VanDerWaalsContact O-N 3.14Å; Q871-I874 PolarHBondContact O-N 3.1Å; Q871-I874 VanDerWaalsContact O-N 3.13Å; I874-L877 PolarHBondContact O-N 3.11Å; I874-S878 WeakPolarHBondContact O-CB 3.35Å; I874-S878 PolarHBondContact O-N 3.44Å; I874-S878 PolarHBondContact O-OG 3.17Å
875E78.2Confident65.5Low91 Ų91114.9 Ų114.943%0.42561%0.608SS.*Hα-helixtrans-55.7-53178.3-174171.5-110.100111Q871 R872 L877 S878 E879Q871-E875 WeakPolarHBondContact O-CB 3.37Å; Q871-E875 PolarHBondContact O-N 3.36Å; R872-E875 IonicContact NH1-OE2 3.71Å; R872-E875 PolarHBondContact NH1-OE2 3.38Å; E875-L877 PolarHBondContact O-N 2.97Å; E875-S878 PolarHBondContact O-N 2.95Å; E875-E879 PolarHBondContact O-N 3.35Å
876I78.3Confident63.5Low113 Ų113116.9 Ų116.958%0.57962%0.623SS**Hα-helixtrans-59.1-30.9178.1-67.1168.6000113.1R872R872-I876 WeakPolarHBondContact O-CD1 3.17Å; R872-I876 WeakPolarHBondContact O-CG1 3.45Å
877L73.1Confident61.5Low120 Ų120120.6 Ų120.663%0.62864%0.644SS**Hα-helixtrans-82.9-26.9177.2-67.1170.6000112.6L873 I874 E875 T881L873-L877 WeakPolarHBondContact O-CD1 3.43Å; L873-L877 WeakPolarHBondContact O-CG 3.31Å; I874-L877 PolarHBondContact O-N 3.11Å; E875-L877 PolarHBondContact O-N 2.97Å; L877-T881 PolarHBondContact O-OG1 3.15Å
878S71.4Confident59.3Low70 Ų70123.2 Ų123.249%0.4965%0.647SS.*Hα-helixtrans-84-48.6-174.8-57.30000112.3I874 E875 K880 T881I874-S878 WeakPolarHBondContact O-CB 3.35Å; I874-S878 PolarHBondContact O-N 3.44Å; I874-S878 PolarHBondContact O-OG 3.17Å; E875-S878 PolarHBondContact O-N 2.95Å; S878-K880 PolarHBondContact O-N 2.91Å; S878-K880 VanDerWaalsContact O-N 3.09Å; S878-T881 PolarHBondContact O-N 2.95Å; S878-T881 VanDerWaalsContact O-N 3.14Å
879E62.8Low57Low152 Ų152127.4 Ų127.471%0.7165%0.653SS**G310 helixtrans-58.4-28.1-177.7-68.3-170.6136.600112.9E875 T881E875-E879 PolarHBondContact O-N 3.35Å; E879-T881 PolarHBondContact O-N 2.81Å; E879-T881 VanDerWaalsContact O-N 3.15Å
880K61.1Low55Low189 Ų189132.2 Ų132.282%0.82267%0.672SS**G310 helixtrans-74.20.9-177.9-146.2173.6-175.5177.60114.7S878S878-K880 PolarHBondContact O-N 2.91Å; S878-K880 VanDerWaalsContact O-N 3.09Å
881T48Very low53.4Low123 Ų123134.4 Ų134.476%0.75569%0.69SS**G310 helixtrans-129.311.1-168.4-37.10000113.7L877 S878 E879L877-T881 PolarHBondContact O-OG1 3.15Å; S878-T881 PolarHBondContact O-N 2.95Å; S878-T881 VanDerWaalsContact O-N 3.14Å; E879-T881 PolarHBondContact O-N 2.81Å; E879-T881 VanDerWaalsContact O-N 3.15Å
882G39.7Very low51.3Low58 Ų58135.4 Ų135.460%0.59870%0.704SS**  trans-135.748.7-161.800000118.9
883V42.5Very low49.5Very low145 Ų145137 Ų13788%0.87972%0.718SS**  trans-118.584.5169.7-174.10000112.1
884I32.7Very low47.7Very low154 Ų154141.5 Ų141.579%0.7973%0.733SS**  trans20.3125.2151.8-57.1176.4000119.1
885Q27.8Very low46.4Very low192 Ų192139.3 Ų139.390%0.89774%0.735SS**  trans-93.7113.5166.3165.6-166.4-15.200109.9
886D30.5Very low45Very low144 Ų144140.5 Ų140.577%0.7774%0.744SS**  trans-161143.4160.5-137.5-22.8000114.3
887T39.4Very low44Very low141 Ų141138.9 Ų138.987%0.86574%0.741SS**  trans135.1111.7172.1-64.40000111
888W22.2Very low43.8Very low213 Ų213138.2 Ų138.281%0.80774%0.742SS**  trans-149.7132.5-164.5-167.875.2000112.7
889H30.5Very low43.4Very low137 Ų137138.5 Ų138.563%0.63475%0.749SS**  trans77.8167.1156.6-80.536.6000122.1
890K37.6Very low43.4Very low206 Ų206135.7 Ų135.790%0.89674%0.737SS**  trans83.6156.2177.1-53.2179.6-178.1175.10115.2
891A39.4Very low43.6Very low85 Ų85131.5 Ų131.570%0.70272%0.724SS**  cis-141.1144.91.300000108
892T35.8Very low44.9Very low130 Ų130133.2 Ų133.280%0.79872%0.721SS**  cis83.7118.141.3670000117.5
893Q39.1Very low46.4Very low199 Ų199139.7 Ų139.793%0.9373%0.727SS**  trans85.4169.7155.6-120.8178.120.400120.7
894K35.6Very low47.7Very low210 Ų210137.7 Ų137.791%0.91371%0.708SS**  trans-108.1140.9-153.8-58.2176.2-179.9178.70112.6
895G48.7Very low49.7Very low53 Ų53135.5 Ų135.555%0.54670%0.697SS.*  trans-155.1166.116200000108.7P897G895-P897 WeakPolarHBondContact O-CD 2.96Å; G895-P897 VanDerWaalsContact O-N 3.13Å
896D49.7Very low52.1Low117 Ų117133 Ų13363%0.62669%0.685SS**  trans-60.1117.2176.4-174.1-34.1000109.2V898D896-V898 VanDerWaalsContact C-N 3.34Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 PolarHBondContact OD1-N 3.42Å
897P55.8Low54.3Low79 Ų79132 Ų13251%0.51368%0.676SS.*Hα-helixtrans-64.8-35.5-167.723.8-33.7000112.8G895 A899 I900 L901G895-P897 WeakPolarHBondContact O-CD 2.96Å; G895-P897 VanDerWaalsContact O-N 3.13Å; P897-A899 PolarHBondContact O-N 3.41Å; P897-I900 PolarHBondContact O-N 3.15Å; P897-L901 HydrophobicContact CB-CD1 3.87Å; P897-L901 HydrophobicContact CB-CG 4.44Å; P897-L901 WeakPolarHBondContact O-CB 3.31Å; P897-L901 WeakPolarHBondContact O-CD1 3.39Å; P897-L901 WeakPolarHBondContact O-CG 2.92Å; P897-L901 PolarHBondContact O-N 3Å
898V69.7Low55.9Low106 Ų106132.4 Ų132.464%0.64267%0.666SS**Hα-helixtrans-68.1-43.6-161.2-173.70000112.6D896 K902D896-V898 VanDerWaalsContact C-N 3.34Å; D896-V898 PolarHBondContact O-N 2.96Å; D896-V898 PolarHBondContact OD1-N 3.42Å; V898-K902 PolarHBondContact O-N 3.48Å; V898-K902 VanDerWaalsContact O-N 3.14Å
899A62.6Low58.7Low76 Ų76128 Ų12863%0.62865%0.654SS**Hα-helixtrans-72.3-38.7-177.800000112.6P897 R903P897-A899 PolarHBondContact O-N 3.41Å; A899-R903 PolarHBondContact O-N 2.78Å
900I63.9Low61.2Low92 Ų92129.1 Ų129.147%0.47266%0.657SS.*Hα-helixtrans-74.2-43.1178.7-61.9177.2000110.3P897 K902 R903 Q904P897-I900 PolarHBondContact O-N 3.15Å; I900-K902 VanDerWaalsContact C-N 3.27Å; I900-K902 PolarHBondContact O-N 3.41Å; I900-R903 PolarHBondContact O-N 2.94Å; I900-Q904 HydrophobicContact CG2-CG 4.19Å; I900-Q904 WeakPolarHBondContact O-CB 3.36Å; I900-Q904 WeakPolarHBondContact O-CG 3.17Å; I900-Q904 PolarHBondContact O-N 2.88Å
901L64.5Low63.1Low102 Ų102124.1 Ų124.153%0.53464%0.64SS.*Hα-helixtrans-55.3-41.9173.6-78.7171.2000111.5P897 R903 Q904 L905P897-L901 HydrophobicContact CB-CD1 3.87Å; P897-L901 HydrophobicContact CB-CG 4.44Å; P897-L901 WeakPolarHBondContact O-CB 3.31Å; P897-L901 WeakPolarHBondContact O-CD1 3.39Å; P897-L901 WeakPolarHBondContact O-CG 2.92Å; P897-L901 PolarHBondContact O-N 3Å; L901-R903 PolarHBondContact O-N 2.72Å; L901-Q904 PolarHBondContact O-N 3.09Å; L901-L905 VanDerWaalsContact O-CB 3.25Å; L901-L905 WeakPolarHBondContact O-CB 3.16Å; L901-L905 PolarHBondContact O-N 2.93Å
902K75Confident65Low159 Ų159124.7 Ų124.769%0.69163%0.631SS**Hα-helixtrans-66.9-37.3-179.9-162.9170.2-173.3176.20112.8V898 I900 Q906V898-K902 PolarHBondContact O-N 3.48Å; V898-K902 VanDerWaalsContact O-N 3.14Å; I900-K902 VanDerWaalsContact C-N 3.27Å; I900-K902 PolarHBondContact O-N 3.41Å; K902-Q906 PolarHBondContact O-N 3.2Å
903R72.1Confident67.2Low194 Ų194121.3 Ų121.373%0.73262%0.616SS**Hα-helixtrans-68-46.4173.9-160.1-176.2-157.5110.31.1111.3A899 I900 L901 L905 Q906 E907A899-R903 PolarHBondContact O-N 2.78Å; I900-R903 PolarHBondContact O-N 2.94Å; L901-R903 PolarHBondContact O-N 2.72Å; R903-L905 VanDerWaalsContact C-N 3.31Å; R903-L905 PolarHBondContact O-N 3.36Å; R903-Q906 PolarHBondContact O-N 2.92Å; R903-E907 WeakPolarHBondContact O-CB 3.16Å; R903-E907 PolarHBondContact O-N 3.03Å
904Q69.4Low69.1Low103 Ų103115.2 Ų115.248%0.48159%0.592SS.*Hα-helixtrans-62.2-36.2176-74.1-178.6-15.400112.4I900 L901 K908I900-Q904 HydrophobicContact CG2-CG 4.19Å; I900-Q904 WeakPolarHBondContact O-CB 3.36Å; I900-Q904 WeakPolarHBondContact O-CG 3.17Å; I900-Q904 PolarHBondContact O-N 2.88Å; L901-Q904 PolarHBondContact O-N 3.09Å; Q904-K908 WeakPolarHBondContact O-CB 3.42Å; Q904-K908 WeakPolarHBondContact O-CG 3.43Å; Q904-K908 PolarHBondContact O-N 3.04Å
905L75.7Confident71Confident107 Ų107111.4 Ų111.456%0.5658%0.578SS**Hα-helixtrans-63.3-49.4176.5-168.479.1000110.6L901 R903 E907 K908 E909L901-L905 VanDerWaalsContact O-CB 3.25Å; L901-L905 WeakPolarHBondContact O-CB 3.16Å; L901-L905 PolarHBondContact O-N 2.93Å; R903-L905 VanDerWaalsContact C-N 3.31Å; R903-L905 PolarHBondContact O-N 3.36Å; L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.94Å; L905-K908 CarbonylContact O-C 3.57Å; L905-K908 WeakPolarHBondContact O-CB 3.3Å; L905-K908 PolarHBondContact O-N 3.48Å; L905-E909 WeakPolarHBondContact O-CG 2.93Å; L905-E909 PolarHBondContact O-N 2.95Å
906Q78.1Confident72.7Confident139 Ų139115 Ų11565%0.6558%0.58SS**Hα-helixtrans-67.3-32.9-179.3-162.5173.116.900112.4K902 R903 K910K902-Q906 PolarHBondContact O-N 3.2Å; R903-Q906 PolarHBondContact O-N 2.92Å; Q906-K910 PolarHBondContact O-N 3.24Å
907E76.2Confident74.4Confident125 Ų125115.9 Ų115.958%0.58458%0.581SS**Hα-helixtrans-73.4-36.8173.7-163.7159.1-121.100111.8R903 L905 K910 L911R903-E907 WeakPolarHBondContact O-CB 3.16Å; R903-E907 PolarHBondContact O-N 3.03Å; L905-E907 VanDerWaalsContact C-N 3.31Å; L905-E907 PolarHBondContact O-N 2.94Å; E907-K910 PolarHBondContact O-N 2.97Å; E907-L911 WeakPolarHBondContact O-CG 3.28Å; E907-L911 PolarHBondContact O-N 3.12Å
908K73.1Confident75.6Confident148 Ų148117.7 Ų117.764%0.64359%0.586SS**Hα-helixtrans-65.8-41.5170.7-80.7-77.7-175.6177.80112.6Q904 L905 K910 L911 L912Q904-K908 WeakPolarHBondContact O-CB 3.42Å; Q904-K908 WeakPolarHBondContact O-CG 3.43Å; Q904-K908 PolarHBondContact O-N 3.04Å; L905-K908 CarbonylContact O-C 3.57Å; L905-K908 WeakPolarHBondContact O-CB 3.3Å; L905-K908 PolarHBondContact O-N 3.48Å; K908-K910 VanDerWaalsContact C-N 3.32Å; K908-K910 PolarHBondContact O-N 2.95Å; K908-L911 PolarHBondContact O-N 2.87Å; K908-L912 VanDerWaalsContact O-CB 3.23Å; K908-L912 WeakPolarHBondContact O-CB 3.49Å; K908-L912 PolarHBondContact O-N 3.17Å
909E81.1Confident76.1Confident120 Ų120115 Ų11556%0.56158%0.576SS**Hα-helixtrans-62.1-41.1175.4-76.6178.5139.400111.2L905 L912 A913L905-E909 WeakPolarHBondContact O-CG 2.93Å; L905-E909 PolarHBondContact O-N 2.95Å; E909-L912 PolarHBondContact O-N 3.25Å; E909-A913 PolarHBondContact O-N 2.83Å
910K81.5Confident77.2Confident161 Ų161114.2 Ų114.270%0.757%0.568SS**Hα-helixtrans-65.2-42.3175.5-168.3179.7179.7-174.20112.3Q906 E907 K908 A913 T914Q906-K910 PolarHBondContact O-N 3.24Å; E907-K910 PolarHBondContact O-N 2.97Å; K908-K910 VanDerWaalsContact C-N 3.32Å; K908-K910 PolarHBondContact O-N 2.95Å; K910-A913 PolarHBondContact O-N 2.99Å; K910-T914 PolarHBondContact O-N 3.49Å; K910-T914 PolarHBondContact O-OG1 3.24Å
911L77.6Confident78.4Confident101 Ų101113.2 Ų113.253%0.52957%0.566SS.*Hα-helixtrans-65.6-40.8175-74.6167.4000112.1E907 K908 A913 T914 E915E907-L911 WeakPolarHBondContact O-CG 3.28Å; E907-L911 PolarHBondContact O-N 3.12Å; K908-L911 PolarHBondContact O-N 2.87Å; L911-A913 VanDerWaalsContact C-N 3.29Å; L911-A913 PolarHBondContact O-N 2.93Å; L911-T914 WeakPolarHBondContact CA-OG1 3.45Å; L911-T914 PolarHBondContact O-N 3.14Å; L911-T914 PolarHBondContact O-OG1 3.15Å; L911-E915 VanDerWaalsContact O-CB 3.31Å; L911-E915 WeakPolarHBondContact O-CB 3.47Å; L911-E915 PolarHBondContact O-N 2.98Å
912L79.7Confident79.3Confident97 Ų97111 Ų11151%0.50856%0.563SS.*Hα-helixtrans-63-35.5176.2-172.672.9000111.6K908 E909 E915 Q916K908-L912 VanDerWaalsContact O-CB 3.23Å; K908-L912 WeakPolarHBondContact O-CB 3.49Å; K908-L912 PolarHBondContact O-N 3.17Å; E909-L912 PolarHBondContact O-N 3.25Å; L912-E915 PolarHBondContact O-N 3.23Å; L912-Q916 WeakPolarHBondContact O-CB 3.34Å; L912-Q916 WeakPolarHBondContact O-CG 3.38Å; L912-Q916 PolarHBondContact O-N 2.96Å
913A82Confident79.8Confident60 Ų60109.7 Ų109.750%0.49656%0.557SS.*Hα-helixtrans-65.1-46.4174.600000111.9E909 K910 L911 Q916 E917E909-A913 PolarHBondContact O-N 2.83Å; K910-A913 PolarHBondContact O-N 2.99Å; L911-A913 VanDerWaalsContact C-N 3.29Å; L911-A913 PolarHBondContact O-N 2.93Å; A913-Q916 PolarHBondContact O-N 2.85Å; A913-E917 PolarHBondContact O-N 3.1Å; A913-E917 VanDerWaalsContact O-N 3.1Å
914T78.8Confident80.5Confident70 Ų70103.5 Ų103.543%0.42954%0.544SS..Hα-helixtrans-65.2-38.8174.444.40000112.4K910 L911 Q916 E917 D918K910-T914 PolarHBondContact O-N 3.49Å; K910-T914 PolarHBondContact O-OG1 3.24Å; L911-T914 WeakPolarHBondContact CA-OG1 3.45Å; L911-T914 PolarHBondContact O-N 3.14Å; L911-T914 PolarHBondContact O-OG1 3.15Å; T914-Q916 VanDerWaalsContact C-N 3.34Å; T914-Q916 PolarHBondContact O-N 2.89Å; T914-E917 PolarHBondContact O-N 3.08Å; T914-D918 PolarHBondContact O-N 3.33Å
915E77Confident81.4Confident130 Ų130104.9 Ų104.961%0.60755%0.548SS*.Hα-helixtrans-65.9-35.1176.9-173.8175.2-165.900112L911 L912 A919L911-E915 VanDerWaalsContact O-CB 3.31Å; L911-E915 WeakPolarHBondContact O-CB 3.47Å; L911-E915 PolarHBondContact O-N 2.98Å; L912-E915 PolarHBondContact O-N 3.23Å; E915-A919 WeakPolarHBondContact O-CB 3.43Å; E915-A919 PolarHBondContact O-N 2.95Å
916Q83.6Confident81.8Confident129 Ų129105.5 Ų105.560%0.60355%0.551SS**Hα-helixtrans-66.7-37.5171.2-76.5-76.2-18.800112.5L912 A913 T914 A920L912-Q916 WeakPolarHBondContact O-CB 3.34Å; L912-Q916 WeakPolarHBondContact O-CG 3.38Å; L912-Q916 PolarHBondContact O-N 2.96Å; A913-Q916 PolarHBondContact O-N 2.85Å; T914-Q916 VanDerWaalsContact C-N 3.34Å; T914-Q916 PolarHBondContact O-N 2.89Å; Q916-A920 WeakPolarHBondContact O-CB 3.25Å; Q916-A920 PolarHBondContact O-N 3.14Å
917E85.3Confident82.2Confident136 Ų136107 Ų10764%0.63655%0.551SS**Hα-helixtrans-69.7-46.5177.7-168.3163.5-160.300111.3A913 T914 A919 A920 V921A913-E917 PolarHBondContact O-N 3.1Å; A913-E917 VanDerWaalsContact O-N 3.1Å; T914-E917 PolarHBondContact O-N 3.08Å; E917-A919 PolarHBondContact O-N 2.86Å; E917-A920 WeakPolarHBondContact O-CB 3.37Å; E917-A920 PolarHBondContact O-N 3.27Å; E917-A920 VanDerWaalsContact O-N 3.12Å; E917-V921 WeakPolarHBondContact O-CG2 3.48Å; E917-V921 PolarHBondContact O-N 3.29Å
918D81.6Confident82.7Confident116 Ų116107 Ų10762%0.6255%0.551SS**Hα-helixtrans-61-41.4172.2-82.3-38.7000112.1T914 A920 V921 A922T914-D918 PolarHBondContact O-N 3.33Å; D918-A920 VanDerWaalsContact C-N 3.32Å; D918-A920 PolarHBondContact O-N 2.73Å; D918-V921 PolarHBondContact O-N 3.27Å; D918-A922 WeakPolarHBondContact O-CB 3.39Å; D918-A922 PolarHBondContact O-N 3.13Å
919A79.5Confident83.4Confident51 Ų51105.1 Ų105.142%0.42155%0.547SS..Hα-helixtrans-64.3-34.8174.200000112.3E915 E917 K923E915-A919 WeakPolarHBondContact O-CB 3.43Å; E915-A919 PolarHBondContact O-N 2.95Å; E917-A919 PolarHBondContact O-N 2.86Å; A919-K923 WeakPolarHBondContact O-CB 3.36Å; A919-K923 PolarHBondContact O-N 3.41Å
920A85.9Confident83.6Confident58 Ų58104.7 Ų104.748%0.47955%0.549SS..Hα-helixtrans-67.6-42.1173.600000111.7Q916 E917 D918 K923 S924Q916-A920 WeakPolarHBondContact O-CB 3.25Å; Q916-A920 PolarHBondContact O-N 3.14Å; E917-A920 WeakPolarHBondContact O-CB 3.37Å; E917-A920 PolarHBondContact O-N 3.27Å; E917-A920 VanDerWaalsContact O-N 3.12Å; D918-A920 VanDerWaalsContact C-N 3.32Å; D918-A920 PolarHBondContact O-N 2.73Å; A920-K923 PolarHBondContact O-N 3.34Å; A920-S924 PolarHBondContact O-N 2.99Å
921V88.9Confident84Confident71 Ų71104.9 Ų104.943%0.4355%0.55SS..Hα-helixtrans-62.2-46.6174171.60000111.1E917 D918 K923 S924 K925E917-V921 WeakPolarHBondContact O-CG2 3.48Å; E917-V921 PolarHBondContact O-N 3.29Å; D918-V921 PolarHBondContact O-N 3.27Å; V921-K923 PolarHBondContact O-N 2.96Å; V921-S924 WeakPolarHBondContact O-CB 3.44Å; V921-S924 PolarHBondContact O-N 2.83Å; V921-S924 VanDerWaalsContact O-N 3.15Å; V921-K925 PolarHBondContact O-N 2.89Å
922A82.9Confident84.6Confident55 Ų55105.9 Ų105.946%0.45555%0.552SS.*Hα-helixtrans-60.5-43.4175.800000111.9D918 S924 K925 L926D918-A922 WeakPolarHBondContact O-CB 3.39Å; D918-A922 PolarHBondContact O-N 3.13Å; A922-S924 VanDerWaalsContact C-N 3.27Å; A922-S924 PolarHBondContact O-N 2.98Å; A922-K925 PolarHBondContact O-N 2.83Å; A922-L926 WeakPolarHBondContact O-CB 3.31Å; A922-L926 PolarHBondContact O-N 3.2Å
923K86.1Confident84.9Confident133 Ų133107.6 Ų107.658%0.57856%0.559SS**Hα-helixtrans-67.2-25.1176.2-168.2172.4-170.8171.60113A919 A920 V921 R927A919-K923 WeakPolarHBondContact O-CB 3.36Å; A919-K923 PolarHBondContact O-N 3.41Å; A920-K923 PolarHBondContact O-N 3.34Å; V921-K923 PolarHBondContact O-N 2.96Å; K923-R927 WeakPolarHBondContact O-CG 3.31Å; K923-R927 PolarHBondContact O-N 3.49Å
924S85.6Confident85.2Confident64 Ų64107.7 Ų107.745%0.44856%0.56SS.*Hα-helixtrans-71.4-54.8169.5-159.10000111A920 V921 A922 L926 R927 E928A920-S924 PolarHBondContact O-N 2.99Å; V921-S924 WeakPolarHBondContact O-CB 3.44Å; V921-S924 PolarHBondContact O-N 2.83Å; V921-S924 VanDerWaalsContact O-N 3.15Å; A922-S924 VanDerWaalsContact C-N 3.27Å; A922-S924 PolarHBondContact O-N 2.98Å; S924-L926 PolarHBondContact O-N 3.05Å; S924-R927 WeakPolarHBondContact O-CB 3.37Å; S924-R927 PolarHBondContact O-N 3.02Å; S924-E928 PolarHBondContact O-N 2.83Å
925K89.6Confident85.6Confident131 Ų131107.1 Ų107.157%0.5756%0.558SS**Hα-helixtrans-55.1-38.9177.1-70.4178.7178.11770112.5V921 A922 E928 L929V921-K925 PolarHBondContact O-N 2.89Å; A922-K925 PolarHBondContact O-N 2.83Å; K925-E928 WeakPolarHBondContact O-CB 3.35Å; K925-E928 PolarHBondContact O-N 2.78Å; K925-L929 PolarHBondContact O-N 2.95Å
926L84.5Confident86Confident121 Ų121105.8 Ų105.863%0.63455%0.552SS**Hα-helixtrans-68.5-33.5178.8-163.9150.5000112.6A922 S924 N930A922-L926 WeakPolarHBondContact O-CB 3.31Å; A922-L926 PolarHBondContact O-N 3.2Å; S924-L926 PolarHBondContact O-N 3.05Å; L926-N930 VanDerWaalsContact O-CB 3.3Å; L926-N930 WeakPolarHBondContact O-CB 3.44Å; L926-N930 PolarHBondContact O-N 3Å
927R85Confident86.2Confident169 Ų169107.5 Ų107.564%0.63856%0.558SS**Hα-helixtrans-67.9-37.4170.1-74.1167.8172.2154.3-7.1112K923 S924 N930 K931K923-R927 WeakPolarHBondContact O-CG 3.31Å; K923-R927 PolarHBondContact O-N 3.49Å; S924-R927 WeakPolarHBondContact O-CB 3.37Å; S924-R927 PolarHBondContact O-N 3.02Å; R927-N930 PolarHBondContact O-N 2.89Å; R927-K931 WeakPolarHBondContact O-CB 3.13Å; R927-K931 PolarHBondContact O-N 2.91Å
928E88.2Confident86.4Confident127 Ų127104 Ų10459%0.59355%0.552SS**Hα-helixtrans-68.2-50.1-178.5-160.7148.8-126.200111.4S924 K925 N930 K931 E932S924-E928 PolarHBondContact O-N 2.83Å; K925-E928 WeakPolarHBondContact O-CB 3.35Å; K925-E928 PolarHBondContact O-N 2.78Å; E928-N930 VanDerWaalsContact C-N 3.29Å; E928-N930 PolarHBondContact O-N 2.84Å; E928-K931 WeakPolarHBondContact O-CA 3.32Å; E928-K931 VanDerWaalsContact O-CB 3.28Å; E928-K931 WeakPolarHBondContact O-CB 3.15Å; E928-K931 PolarHBondContact O-N 2.75Å; E928-E932 PolarHBondContact O-N 3.34Å
929L87Confident86.7Confident107 Ų107104.4 Ų104.456%0.5655%0.548SS*.Hα-helixtrans-56.7-39.9171.4-75.1168.7000112.8K925 K931 E932 M933K925-L929 PolarHBondContact O-N 2.95Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 2.9Å; L929-E932 PolarHBondContact O-N 2.83Å; L929-M933 WeakPolarHBondContact O-CB 3.25Å; L929-M933 WeakPolarHBondContact O-CG 3.4Å; L929-M933 PolarHBondContact O-N 2.96Å
930N85.6Confident87Confident112 Ų112104.9 Ų104.960%0.59955%0.552SS**Hα-helixtrans-67.7-29.1177.4-162.319.4000112.1L926 R927 E928 A934L926-N930 VanDerWaalsContact O-CB 3.3Å; L926-N930 WeakPolarHBondContact O-CB 3.44Å; L926-N930 PolarHBondContact O-N 3Å; R927-N930 PolarHBondContact O-N 2.89Å; E928-N930 VanDerWaalsContact C-N 3.29Å; E928-N930 PolarHBondContact O-N 2.84Å; N930-A934 WeakPolarHBondContact O-CB 3.12Å; N930-A934 PolarHBondContact O-N 2.94Å
931K89.7Confident87.2Confident164 Ų164104.8 Ų104.871%0.71355%0.551SS**Hα-helixtrans-73.7-40.7174.5-165-178.4-179-172.90111.6R927 E928 L929 A934 S935R927-K931 WeakPolarHBondContact O-CB 3.13Å; R927-K931 PolarHBondContact O-N 2.91Å; E928-K931 WeakPolarHBondContact O-CA 3.32Å; E928-K931 VanDerWaalsContact O-CB 3.28Å; E928-K931 WeakPolarHBondContact O-CB 3.15Å; E928-K931 PolarHBondContact O-N 2.75Å; L929-K931 VanDerWaalsContact C-N 3.27Å; L929-K931 PolarHBondContact O-N 2.9Å; K931-A934 PolarHBondContact O-N 3.41Å; K931-S935 PolarHBondContact O-N 2.83Å; K931-S935 VanDerWaalsContact O-N 3.08Å
932E89.4Confident87.2Confident123 Ų123104 Ų10458%0.57555%0.552SS**Hα-helixtrans-62.8-49.5171.8-68.5-168.3130.800111.4E928 L929 A934 S935 E936E928-E932 PolarHBondContact O-N 3.34Å; L929-E932 PolarHBondContact O-N 2.83Å; E932-A934 VanDerWaalsContact C-N 3.3Å; E932-A934 PolarHBondContact O-N 2.81Å; E932-S935 WeakPolarHBondContact O-CA 3.43Å; E932-S935 WeakPolarHBondContact O-CB 3.46Å; E932-S935 PolarHBondContact O-N 3.4Å; E932-S935 PolarHBondContact O-OG 3.05Å; E932-E936 PolarHBondContact O-N 2.96Å
933M87.2Confident87.6Confident132 Ų132103 Ų10365%0.6555%0.547SS*.Hα-helixtrans-54.1-43175-82.7-70.7-69.500112.8L929 S935 K937L929-M933 WeakPolarHBondContact O-CB 3.25Å; L929-M933 WeakPolarHBondContact O-CG 3.4Å; L929-M933 PolarHBondContact O-N 2.96Å; M933-S935 VanDerWaalsContact C-N 3.35Å; M933-K937 VanDerWaalsContact O-CB 3.24Å; M933-K937 WeakPolarHBondContact O-CB 3.45Å; M933-K937 PolarHBondContact O-N 2.95Å
934A87.6Confident87.7Confident62 Ų62101.8 Ų101.851%0.51254%0.544SS..Hα-helixtrans-63.2-40.5174.400000112.1N930 K931 E932 A938N930-A934 WeakPolarHBondContact O-CB 3.12Å; N930-A934 PolarHBondContact O-N 2.94Å; K931-A934 PolarHBondContact O-N 3.41Å; E932-A934 VanDerWaalsContact C-N 3.3Å; E932-A934 PolarHBondContact O-N 2.81Å; A934-A938 PolarHBondContact O-N 2.83Å; A934-A938 VanDerWaalsContact O-N 3.14Å
935S87.2Confident87.8Confident58 Ų58101.5 Ų101.541%0.40655%0.545SS..Hα-helixtrans-68.1-40.9178.982.30000112.9K931 E932 M933 A938 K939K931-S935 PolarHBondContact O-N 2.83Å; K931-S935 VanDerWaalsContact O-N 3.08Å; E932-S935 WeakPolarHBondContact O-CA 3.43Å; E932-S935 WeakPolarHBondContact O-CB 3.46Å; E932-S935 PolarHBondContact O-N 3.4Å; E932-S935 PolarHBondContact O-OG 3.05Å; M933-S935 VanDerWaalsContact C-N 3.35Å; S935-A938 WeakPolarHBondContact O-CB 3.39Å; S935-A938 PolarHBondContact O-N 2.84Å; S935-K939 PolarHBondContact O-N 3.01Å
936E85.7Confident87.9Confident102 Ų102102.4 Ų102.448%0.47755%0.549SS..Hα-helixtrans-73.3-37.4-179.5-159.657.9-135.600111.3E932 A938 K939 A940E932-E936 PolarHBondContact O-N 2.96Å; E936-A938 PolarHBondContact O-N 2.88Å; E936-K939 PolarHBondContact O-N 2.72Å; E936-K939 VanDerWaalsContact O-N 3.12Å; E936-K939 WeakPolarHBondContact OE2-CD 3.43Å; E936-K939 WeakPolarHBondContact OE2-CE 3.32Å; E936-K939 IonicContact OE2-NZ 3.22Å; E936-K939 PolarHBondContact OE2-NZ 2.95Å; E936-A940 PolarHBondContact O-N 2.62Å
937K87.6Confident88.3Confident165 Ų165101.4 Ų101.472%0.71755%0.548SS*.Hα-helixtrans-60.7-33.6171.1-166.1171.8-174.6176.10112.1M933 A941M933-K937 VanDerWaalsContact O-CB 3.24Å; M933-K937 WeakPolarHBondContact O-CB 3.45Å; M933-K937 PolarHBondContact O-N 2.95Å; K937-A941 PolarHBondContact O-N 2.98Å; K937-A941 VanDerWaalsContact O-N 3.15Å
938A88.8Confident88.6Confident62 Ų6299.2 Ų99.251%0.51254%0.543SS..Hα-helixtrans-70.8-40172.300000112.8A934 S935 E936 A941 A942A934-A938 PolarHBondContact O-N 2.83Å; A934-A938 VanDerWaalsContact O-N 3.14Å; S935-A938 WeakPolarHBondContact O-CB 3.39Å; S935-A938 PolarHBondContact O-N 2.84Å; E936-A938 PolarHBondContact O-N 2.88Å; A938-A941 PolarHBondContact O-N 2.84Å; A938-A942 WeakPolarHBondContact O-CB 3.32Å; A938-A942 PolarHBondContact O-N 2.86Å
939K88.9Confident88.7Confident125 Ų125101.3 Ų101.354%0.54355%0.55SS..Hα-helixtrans-61.5-44.4172.6-65.8-178.3-150.6156.50111.7S935 E936 A942 G943S935-K939 PolarHBondContact O-N 3.01Å; E936-K939 PolarHBondContact O-N 2.72Å; E936-K939 VanDerWaalsContact O-N 3.12Å; E936-K939 WeakPolarHBondContact OE2-CD 3.43Å; E936-K939 WeakPolarHBondContact OE2-CE 3.32Å; E936-K939 IonicContact OE2-NZ 3.22Å; E936-K939 PolarHBondContact OE2-NZ 2.95Å; K939-A942 PolarHBondContact O-N 2.86Å; K939-G943 PolarHBondContact O-N 2.87Å
940A85.9Confident89Confident62 Ų62103 Ų10351%0.51256%0.555SS.*Hα-helixtrans-58.8-48.7177.900000111.8E936 A942 G943 E944E936-A940 PolarHBondContact O-N 2.62Å; A940-A942 VanDerWaalsContact C-N 3.32Å; A940-A942 PolarHBondContact O-N 3.42Å; A940-G943 PolarHBondContact O-N 2.93Å; A940-G943 VanDerWaalsContact O-N 3.12Å; A940-E944 PolarHBondContact O-N 2.93Å
941A89.7Confident89.3Confident55 Ų55103 Ų10346%0.45556%0.555SS.*Hα-helixtrans-61.1-38.3175.800000112.7K937 A938 G943 E944 A945K937-A941 PolarHBondContact O-N 2.98Å; K937-A941 VanDerWaalsContact O-N 3.15Å; A938-A941 PolarHBondContact O-N 2.84Å; A941-G943 VanDerWaalsContact C-N 3.34Å; A941-E944 PolarHBondContact O-N 3.44Å; A941-A945 WeakPolarHBondContact O-CB 3.4Å; A941-A945 PolarHBondContact O-N 2.83Å
942A89.2Confident89.5Confident55 Ų5599.1 Ų99.146%0.45554%0.544SS..Hα-helixtrans-68.2-31.617500000113A938 K939 A940 K946A938-A942 WeakPolarHBondContact O-CB 3.32Å; A938-A942 PolarHBondContact O-N 2.86Å; K939-A942 PolarHBondContact O-N 2.86Å; A940-A942 VanDerWaalsContact C-N 3.32Å; A940-A942 PolarHBondContact O-N 3.42Å; A942-K946 WeakPolarHBondContact O-CG 3.32Å; A942-K946 PolarHBondContact O-N 2.96Å
943G90.4Very high89.6Confident34 Ų3495.6 Ų95.635%0.35154%0.536SS..Hα-helixtrans-67.2-50.4171.100000112.2K939 A940 A941 A945 K946 V947K939-G943 PolarHBondContact O-N 2.87Å; A940-G943 PolarHBondContact O-N 2.93Å; A940-G943 VanDerWaalsContact O-N 3.12Å; A941-G943 VanDerWaalsContact C-N 3.34Å; G943-A945 VanDerWaalsContact C-N 3.31Å; G943-A945 PolarHBondContact O-N 2.84Å; G943-K946 WeakPolarHBondContact O-CB 3.29Å; G943-K946 PolarHBondContact O-N 3.06Å; G943-V947 PolarHBondContact O-N 2.9Å; G943-V947 VanDerWaalsContact O-N 3.12Å
944E88.5Confident89.8Confident108 Ų10896.9 Ų96.951%0.50553%0.534SS..Hα-helixtrans-56.2-44.3177.7-166.6-162.6136.200111.9A940 A941 K946 V947 K948A940-E944 PolarHBondContact O-N 2.93Å; A941-E944 PolarHBondContact O-N 3.44Å; E944-K946 VanDerWaalsContact C-N 3.3Å; E944-K946 PolarHBondContact O-N 3.17Å; E944-V947 PolarHBondContact O-N 3.4Å; E944-K948 HydrophobicContact CG-CD 4.41Å; E944-K948 PolarHBondContact O-N 3.24Å; E944-K948 VanDerWaalsContact OE1-CE 3.26Å; E944-K948 WeakPolarHBondContact OE1-CE 3.5Å; E944-K948 IonicContact OE1-NZ 2.6Å; E944-K948 PolarHBondContact OE1-NZ 2.74Å
945A88.8Confident90Very high57 Ų57100 Ų10047%0.47154%0.537SS..Hα-helixtrans-62.7-32.2177.300000113.5A941 G943 K949A941-A945 WeakPolarHBondContact O-CB 3.4Å; A941-A945 PolarHBondContact O-N 2.83Å; G943-A945 VanDerWaalsContact C-N 3.31Å; G943-A945 PolarHBondContact O-N 2.84Å; A945-K949 PolarHBondContact O-N 3.16Å
946K91.5Very high90.3Very high151 Ų151103.8 Ų103.866%0.65755%0.549SS*.Hα-helixtrans-70.5-44.1173.7-75.4176.7178.2179.60111.6A942 G943 E944 K949 Q950A942-K946 WeakPolarHBondContact O-CG 3.32Å; A942-K946 PolarHBondContact O-N 2.96Å; G943-K946 WeakPolarHBondContact O-CB 3.29Å; G943-K946 PolarHBondContact O-N 3.06Å; E944-K946 VanDerWaalsContact C-N 3.3Å; E944-K946 PolarHBondContact O-N 3.17Å; K946-K949 PolarHBondContact O-N 3.29Å; K946-Q950 PolarHBondContact O-N 2.92Å; K946-Q950 VanDerWaalsContact O-N 3.1Å
947V91.8Very high90.6Very high99 Ų99104 Ų10460%0.655%0.55SS*.Hα-helixtrans-62.6-45.1177.8177.50000110.6G943 E944 K949 Q950 L951G943-V947 PolarHBondContact O-N 2.9Å; G943-V947 VanDerWaalsContact O-N 3.12Å; E944-V947 PolarHBondContact O-N 3.4Å; V947-K949 VanDerWaalsContact C-N 3.31Å; V947-K949 PolarHBondContact O-N 3.07Å; V947-Q950 PolarHBondContact O-N 3.42Å; V947-Q950 VanDerWaalsContact O-N 3.09Å; V947-L951 PolarHBondContact O-N 3.32Å
948K91.1Very high90.8Very high123 Ų123101.6 Ų101.654%0.53554%0.544SS..Hα-helixtrans-58-39175.3-77.2176.4168.31740112.9E944 L951 V952E944-K948 HydrophobicContact CG-CD 4.41Å; E944-K948 PolarHBondContact O-N 3.24Å; E944-K948 VanDerWaalsContact OE1-CE 3.26Å; E944-K948 WeakPolarHBondContact OE1-CE 3.5Å; E944-K948 IonicContact OE1-NZ 2.6Å; E944-K948 PolarHBondContact OE1-NZ 2.74Å; K948-L951 PolarHBondContact O-N 2.92Å; K948-V952 WeakPolarHBondContact O-CG2 3.3Å; K948-V952 PolarHBondContact O-N 2.94Å
949K90.8Very high91Very high171 Ų171101.3 Ų101.374%0.74354%0.541SS*.Hα-helixtrans-66.3-38.5173.5-82.1-170.7173.2-174.10113.4A945 K946 V947 A953A945-K949 PolarHBondContact O-N 3.16Å; K946-K949 PolarHBondContact O-N 3.29Å; V947-K949 VanDerWaalsContact C-N 3.31Å; V947-K949 PolarHBondContact O-N 3.07Å; K949-A953 PolarHBondContact O-N 3.38Å
950Q93.7Very high91.1Very high144 Ų14497.6 Ų97.667%0.67353%0.534SS*.Hα-helixtrans-68.7-36.1176.4-70.7-171.64.800112.4K946 V947 A953 R954K946-Q950 PolarHBondContact O-N 2.92Å; K946-Q950 VanDerWaalsContact O-N 3.1Å; V947-Q950 PolarHBondContact O-N 3.42Å; V947-Q950 VanDerWaalsContact O-N 3.09Å; Q950-A953 PolarHBondContact O-N 2.97Å; Q950-R954 PolarHBondContact O-N 2.94Å
951L92.1Very high91.4Very high112 Ų11298.7 Ų98.759%0.58653%0.534SS*.Hα-helixtrans-60.2-52.4176.4-172.169.3000111.2V947 K948 A953 R954 E955V947-L951 PolarHBondContact O-N 3.32Å; K948-L951 PolarHBondContact O-N 2.92Å; L951-A953 VanDerWaalsContact C-N 3.28Å; L951-A953 PolarHBondContact O-N 3.46Å; L951-R954 WeakPolarHBondContact O-CB 3.4Å; L951-R954 PolarHBondContact O-N 2.98Å; L951-R954 VanDerWaalsContact O-N 3.12Å; L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 2.88Å
952V93.5Very high91.5Very high81 Ų81101.3 Ų101.349%0.49154%0.537SS..Hα-helixtrans-60.2-36.8178.9174.20000112.1K948 E955 Q956K948-V952 WeakPolarHBondContact O-CG2 3.3Å; K948-V952 PolarHBondContact O-N 2.94Å; V952-E955 PolarHBondContact O-N 3.07Å; V952-Q956 PolarHBondContact O-N 3.03Å
953A92.1Very high91.6Very high49 Ų49101.6 Ų101.641%0.40554%0.539SS..Hα-helixtrans-65.1-44.5175.100000112.2K949 Q950 L951 E955 Q956 E957K949-A953 PolarHBondContact O-N 3.38Å; Q950-A953 PolarHBondContact O-N 2.97Å; L951-A953 VanDerWaalsContact C-N 3.28Å; L951-A953 PolarHBondContact O-N 3.46Å; A953-E955 VanDerWaalsContact C-N 3.32Å; A953-E955 PolarHBondContact O-N 2.88Å; A953-Q956 PolarHBondContact O-N 2.88Å; A953-E957 PolarHBondContact O-N 3.4Å
954R90.5Very high91.7Very high160 Ų160108.1 Ų108.160%0.60455%0.553SS**Hα-helixtrans-63-37.5175.2-82.6-78143.584.4-0.3112.7Q950 L951 E957 I958Q950-R954 PolarHBondContact O-N 2.94Å; L951-R954 WeakPolarHBondContact O-CB 3.4Å; L951-R954 PolarHBondContact O-N 2.98Å; L951-R954 VanDerWaalsContact O-N 3.12Å; R954-E957 WeakPolarHBondContact CD-OE2 3.42Å; R954-E957 IonicContact CZ-OE2 2.66Å; R954-E957 IonicContact NE-OE2 3.7Å; R954-E957 PolarHBondContact NE-OE2 3.42Å; R954-E957 IonicContact NH2-OE2 2.62Å; R954-E957 PolarHBondContact O-N 2.99Å; R954-I958 WeakPolarHBondContact O-CG1 3.48Å; R954-I958 PolarHBondContact O-N 3.36Å
955E92.5Very high91.9Very high126 Ų126107.6 Ų107.659%0.58955%0.552SS**Hα-helixtrans-66.3-39177.6-157.5160.1-136.700111.4L951 V952 A953 I958 A959L951-E955 WeakPolarHBondContact O-CB 3.36Å; L951-E955 PolarHBondContact O-N 2.88Å; V952-E955 PolarHBondContact O-N 3.07Å; A953-E955 VanDerWaalsContact C-N 3.32Å; A953-E955 PolarHBondContact O-N 2.88Å; E955-I958 PolarHBondContact O-N 3.09Å; E955-A959 PolarHBondContact O-N 2.94Å; E955-A959 VanDerWaalsContact O-N 3.09Å
956Q93.4Very high92.1Very high138 Ų138110.3 Ų110.365%0.64556%0.555SS**Hα-helixtrans-65.5-40.1169.5-74.5-173.5-21.700113.2V952 A953 I958 A959 A960V952-Q956 PolarHBondContact O-N 3.03Å; A953-Q956 PolarHBondContact O-N 2.88Å; Q956-I958 PolarHBondContact O-N 3.37Å; Q956-A959 PolarHBondContact O-N 2.91Å; Q956-A960 WeakPolarHBondContact O-CB 3.47Å; Q956-A960 PolarHBondContact O-N 3.25Å
957E92.1Very high92.1Very high106 Ų106105.4 Ų105.450%0.49554%0.542SS..Hα-helixtrans-59.6-44.9175-73.2-176.4132.500111.5A953 R954 A960 V961A953-E957 PolarHBondContact O-N 3.4Å; R954-E957 WeakPolarHBondContact CD-OE2 3.42Å; R954-E957 IonicContact CZ-OE2 2.66Å; R954-E957 IonicContact NE-OE2 3.7Å; R954-E957 PolarHBondContact NE-OE2 3.42Å; R954-E957 IonicContact NH2-OE2 2.62Å; R954-E957 PolarHBondContact O-N 2.99Å; E957-A960 PolarHBondContact O-N 3.02Å; E957-V961 WeakPolarHBondContact O-CG2 3.46Å; E957-V961 PolarHBondContact O-N 3.31Å
958I91.3Very high92Very high115 Ų115104.4 Ų104.459%0.5954%0.54SS*.Hα-helixtrans-62.2-47.3177.9-68.6165.2000110.9R954 E955 Q956 A960 V961 Q962R954-I958 WeakPolarHBondContact O-CG1 3.48Å; R954-I958 PolarHBondContact O-N 3.36Å; E955-I958 PolarHBondContact O-N 3.09Å; Q956-I958 PolarHBondContact O-N 3.37Å; I958-A960 VanDerWaalsContact C-N 3.31Å; I958-A960 PolarHBondContact O-N 3.18Å; I958-V961 PolarHBondContact O-N 3.41Å; I958-V961 VanDerWaalsContact O-N 3.16Å; I958-Q962 PolarHBondContact O-N 3.05Å
959A92.3Very high92Very high56 Ų56106.1 Ų106.146%0.46354%0.544SS..Hα-helixtrans-59.3-41.1176.500000112.2E955 Q956 V961 Q962 A963E955-A959 PolarHBondContact O-N 2.94Å; E955-A959 VanDerWaalsContact O-N 3.09Å; Q956-A959 PolarHBondContact O-N 2.91Å; A959-V961 VanDerWaalsContact C-N 3.34Å; A959-V961 PolarHBondContact O-N 2.86Å; A959-Q962 PolarHBondContact O-N 2.89Å; A959-A963 WeakPolarHBondContact O-CB 3.37Å; A959-A963 PolarHBondContact O-N 3.06Å
960A91.2Very high92.1Very high48 Ų48106.8 Ų106.840%0.39754%0.542SS..Hα-helixtrans-70.4-24.9177.500000113.9Q956 E957 I958 R964Q956-A960 WeakPolarHBondContact O-CB 3.47Å; Q956-A960 PolarHBondContact O-N 3.25Å; E957-A960 PolarHBondContact O-N 3.02Å; I958-A960 VanDerWaalsContact C-N 3.31Å; I958-A960 PolarHBondContact O-N 3.18Å; A960-R964 WeakPolarHBondContact O-CG 3.46Å; A960-R964 PolarHBondContact O-N 3.44Å; A960-R964 PolarHBondContact O-NE 3.1Å
961V93Very high92.1Very high85 Ų85104 Ų10452%0.51553%0.532SS..Hα-helixtrans-75.3-47169.5170.40000110.5E957 I958 A959 A963 R964 M965E957-V961 WeakPolarHBondContact O-CG2 3.46Å; E957-V961 PolarHBondContact O-N 3.31Å; I958-V961 PolarHBondContact O-N 3.41Å; I958-V961 VanDerWaalsContact O-N 3.16Å; A959-V961 VanDerWaalsContact C-N 3.34Å; A959-V961 PolarHBondContact O-N 2.86Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 3.11Å; V961-R964 PolarHBondContact O-N 3.06Å; V961-M965 PolarHBondContact O-N 3.26Å
962Q92.3Very high92.1Very high110 Ų110104.2 Ų104.251%0.51453%0.53SS..Hα-helixtrans-62.6-39.1-179.7-162.5179.129.200112.1I958 A959 M965 Q966I958-Q962 PolarHBondContact O-N 3.05Å; A959-Q962 PolarHBondContact O-N 2.89Å; Q962-M965 PolarHBondContact O-N 3.36Å; Q962-Q966 PolarHBondContact O-N 2.92Å
963A91.9Very high92.2Very high60 Ų60104.4 Ų104.450%0.49653%0.531SS..Hα-helixtrans-63-44.1174.100000112.6A959 V961 M965 Q966 A967A959-A963 WeakPolarHBondContact O-CB 3.37Å; A959-A963 PolarHBondContact O-N 3.06Å; V961-A963 VanDerWaalsContact C-N 3.33Å; V961-A963 PolarHBondContact O-N 3.11Å; A963-M965 VanDerWaalsContact C-N 3.34Å; A963-M965 PolarHBondContact O-N 3.4Å; A963-Q966 PolarHBondContact O-N 3.25Å; A963-A967 PolarHBondContact O-N 3.25Å
964R91.8Very high92.3Very high171 Ų171108 Ų10865%0.64554%0.537SS*.Hα-helixtrans-62.9-39.6174.9-80.4-178.5-75.4177.6-3.1112A960 V961 A967 S968A960-R964 WeakPolarHBondContact O-CG 3.46Å; A960-R964 PolarHBondContact O-N 3.44Å; A960-R964 PolarHBondContact O-NE 3.1Å; V961-R964 PolarHBondContact O-N 3.06Å; R964-A967 PolarHBondContact O-N 3.46Å; R964-S968 PolarHBondContact O-N 3.17Å
965M91.9Very high92.4Very high98 Ų98105.3 Ų105.348%0.48353%0.532SS..Hα-helixtrans-62.6-46.8175.6-168.9-178.87500111.7V961 Q962 A963 A967 S968 Y969V961-M965 PolarHBondContact O-N 3.26Å; Q962-M965 PolarHBondContact O-N 3.36Å; A963-M965 VanDerWaalsContact C-N 3.34Å; A963-M965 PolarHBondContact O-N 3.4Å; M965-A967 VanDerWaalsContact C-N 3.34Å; M965-A967 PolarHBondContact O-N 3.3Å; M965-S968 PolarHBondContact O-N 2.97Å; M965-Y969 HydrophobicContact CE-CE2 4.48Å; M965-Y969 HydrophobicContact CG-CD2 3.97Å; M965-Y969 HydrophobicContact CG-CE2 3.69Å; M965-Y969 VanDerWaalsContact O-CD2 3.25Å; M965-Y969 WeakPolarHBondContact O-CD2 3.28Å; M965-Y969 PolarHBondContact O-N 3.3Å; M965-Y969 VanDerWaalsContact O-N 3.08Å; M965-Y969 HydrophobicContact SD-CE2 4.2Å
966Q93.2Very high92.4Very high114 Ų114102.8 Ų102.853%0.53353%0.525SS..Hα-helixtrans-64.3-35.5176.7-72.2-172.812.600113.2Q962 A963 R970Q962-Q966 PolarHBondContact O-N 2.92Å; A963-Q966 PolarHBondContact O-N 3.25Å; Q966-R970 PolarHBondContact O-N 3.48Å
967A91Very high92.5Very high47 Ų47102.3 Ų102.339%0.38852%0.522SS..Hα-helixtrans-62.2-49.6173.700000111.3A963 R964 M965 Y969 R970 D971A963-A967 PolarHBondContact O-N 3.25Å; R964-A967 PolarHBondContact O-N 3.46Å; M965-A967 VanDerWaalsContact C-N 3.34Å; M965-A967 PolarHBondContact O-N 3.3Å; A967-Y969 VanDerWaalsContact C-N 3.32Å; A967-Y969 PolarHBondContact O-N 2.82Å; A967-R970 WeakPolarHBondContact O-CB 3.31Å; A967-R970 PolarHBondContact O-N 2.91Å; A967-R970 VanDerWaalsContact O-N 3.08Å; A967-D971 PolarHBondContact O-N 2.99Å
968S90.8Very high92.6Very high79 Ų79103.1 Ų103.155%0.55253%0.526SS*.Hα-helixtrans-57.5-41.8177.6-165.50000112.7R964 M965 D971 H972R964-S968 PolarHBondContact O-N 3.17Å; M965-S968 PolarHBondContact O-N 2.97Å; S968-D971 PolarHBondContact O-N 3.47Å; S968-H972 PolarHBondContact O-N 3.43Å
969Y90.2Very high92.7Very high159 Ų159101.8 Ų101.862%0.62452%0.52SS*.Hα-helixtrans-65.8-40.4175-80.9-63.1000112.7M965 A967 D971 V973M965-Y969 HydrophobicContact CE-CE2 4.48Å; M965-Y969 HydrophobicContact CG-CD2 3.97Å; M965-Y969 HydrophobicContact CG-CE2 3.69Å; M965-Y969 VanDerWaalsContact O-CD2 3.25Å; M965-Y969 WeakPolarHBondContact O-CD2 3.28Å; M965-Y969 PolarHBondContact O-N 3.3Å; M965-Y969 VanDerWaalsContact O-N 3.08Å; M965-Y969 HydrophobicContact SD-CE2 4.2Å; A967-Y969 VanDerWaalsContact C-N 3.32Å; A967-Y969 PolarHBondContact O-N 2.82Å; Y969-D971 VanDerWaalsContact C-N 3.32Å; Y969-D971 PolarHBondContact O-N 2.87Å; Y969-V973 WeakPolarHBondContact O-CG2 2.98Å; Y969-V973 PolarHBondContact O-N 3.06Å; Y969-V973 VanDerWaalsContact O-N 3.11Å
970R93.5Very high92.7Very high184 Ų184104.2 Ų104.269%0.69452%0.522SS*.Hα-helixtrans-61-40.2176-86-177.7168.9176.5-1.6112.3Q966 A967 V973 K974Q966-R970 PolarHBondContact O-N 3.48Å; A967-R970 WeakPolarHBondContact O-CB 3.31Å; A967-R970 PolarHBondContact O-N 2.91Å; A967-R970 VanDerWaalsContact O-N 3.08Å; R970-V973 PolarHBondContact O-N 2.96Å; R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.45Å
971D93.2Very high92.6Very high86 Ų86103.5 Ų103.546%0.4652%0.518SS..Hα-helixtrans-74.6-38.8-176.9-68.7-30.8000112.5A967 S968 Y969 V973 K974 E975A967-D971 PolarHBondContact O-N 2.99Å; S968-D971 PolarHBondContact O-N 3.47Å; Y969-D971 VanDerWaalsContact C-N 3.32Å; Y969-D971 PolarHBondContact O-N 2.87Å; D971-V973 VanDerWaalsContact C-N 3.31Å; D971-V973 PolarHBondContact O-N 3.13Å; D971-K974 WeakPolarHBondContact O-CB 3.37Å; D971-K974 PolarHBondContact O-N 3.06Å; D971-K974 WeakPolarHBondContact OD1-CE 3.23Å; D971-K974 IonicContact OD1-NZ 2.57Å; D971-K974 PolarHBondContact OD1-NZ 3.01Å; D971-E975 PolarHBondContact O-N 3Å
972H92.8Very high92.7Very high117 Ų117104.7 Ų104.754%0.54252%0.517SS..Hα-helixtrans-60.9-37.8170.2-112.5-16.7000112.5S968 K974 E975 V976S968-H972 PolarHBondContact O-N 3.43Å; H972-K974 PolarHBondContact O-N 3.18Å; H972-E975 IonicContact CE1-OE2 3.8Å; H972-E975 PolarHBondContact CE1-OE2 3.4Å; H972-E975 IonicContact ND1-OE2 2.72Å; H972-E975 PolarHBondContact ND1-OE2 2.97Å; H972-E975 PolarHBondContact O-N 3.3Å; H972-V976 WeakPolarHBondContact O-CG2 3.48Å; H972-V976 PolarHBondContact O-N 3.06Å
973V95.3Very high92.7Very high85 Ų85103.9 Ų103.952%0.51552%0.515SS..Hα-helixtrans-63.5-39.4175.6168.70000111.8Y969 R970 D971 Q977Y969-V973 WeakPolarHBondContact O-CG2 2.98Å; Y969-V973 PolarHBondContact O-N 3.06Å; Y969-V973 VanDerWaalsContact O-N 3.11Å; R970-V973 PolarHBondContact O-N 2.96Å; D971-V973 VanDerWaalsContact C-N 3.31Å; D971-V973 PolarHBondContact O-N 3.13Å; V973-Q977 WeakPolarHBondContact O-CG 3.13Å; V973-Q977 PolarHBondContact O-N 2.86Å
974K93.2Very high92.7Very high125 Ų125109.3 Ų109.354%0.54352%0.523SS..Hα-helixtrans-63.3-44.4174.3-65167.4-166.9168.20111.6R970 D971 H972 Q977 Q978R970-K974 WeakPolarHBondContact O-CG 3.46Å; R970-K974 PolarHBondContact O-N 3.45Å; D971-K974 WeakPolarHBondContact O-CB 3.37Å; D971-K974 PolarHBondContact O-N 3.06Å; D971-K974 WeakPolarHBondContact OD1-CE 3.23Å; D971-K974 IonicContact OD1-NZ 2.57Å; D971-K974 PolarHBondContact OD1-NZ 3.01Å; H972-K974 PolarHBondContact O-N 3.18Å; K974-Q977 PolarHBondContact O-N 3.02Å; K974-Q978 WeakPolarHBondContact O-CB 3.3Å; K974-Q978 PolarHBondContact O-N 3.17Å
975E92.5Very high92.5Very high103 Ų103104.6 Ų104.648%0.48151%0.513SS..Hα-helixtrans-61-48.3179.3-178178.6-143.300111.4D971 H972 Q977 Q978 L979D971-E975 PolarHBondContact O-N 3Å; H972-E975 IonicContact CE1-OE2 3.8Å; H972-E975 PolarHBondContact CE1-OE2 3.4Å; H972-E975 IonicContact ND1-OE2 2.72Å; H972-E975 PolarHBondContact ND1-OE2 2.97Å; H972-E975 PolarHBondContact O-N 3.3Å; E975-Q977 VanDerWaalsContact C-N 3.34Å; E975-Q977 PolarHBondContact O-N 3.23Å; E975-Q978 PolarHBondContact O-N 2.82Å; E975-Q978 VanDerWaalsContact O-N 3.13Å; E975-L979 HydrophobicContact CG-CD1 4.3Å; E975-L979 WeakPolarHBondContact O-CG 3.39Å; E975-L979 PolarHBondContact O-N 3.48Å
976V93.8Very high92.3Very high73 Ų73105 Ų10544%0.44252%0.517SS..Hα-helixtrans-59.7-42.7175.8171.10000111.5H972 L979 Q980H972-V976 WeakPolarHBondContact O-CG2 3.48Å; H972-V976 PolarHBondContact O-N 3.06Å; V976-L979 PolarHBondContact O-N 3.47Å; V976-Q980 WeakPolarHBondContact O-CG 3.43Å; V976-Q980 PolarHBondContact O-N 2.93Å
977Q94.3Very high92.1Very high128 Ų128105.1 Ų105.160%0.59852%0.517SS*.Hα-helixtrans-63.2-40.9174.2-76-176.5-4.700112.5V973 K974 E975 L979 Q980 G981V973-Q977 WeakPolarHBondContact O-CG 3.13Å; V973-Q977 PolarHBondContact O-N 2.86Å; K974-Q977 PolarHBondContact O-N 3.02Å; E975-Q977 VanDerWaalsContact C-N 3.34Å; E975-Q977 PolarHBondContact O-N 3.23Å; Q977-L979 VanDerWaalsContact C-N 3.35Å; Q977-L979 PolarHBondContact O-N 3.31Å; Q977-Q980 PolarHBondContact O-N 3.21Å; Q977-G981 PolarHBondContact O-N 2.97Å
978Q94.4Very high91.9Very high122 Ų122108.5 Ų108.557%0.5753%0.525SS*.Hα-helixtrans-67.1-36.3179.2-158.9-16671.500111.9K974 E975 G981 K982K974-Q978 WeakPolarHBondContact O-CB 3.3Å; K974-Q978 PolarHBondContact O-N 3.17Å; E975-Q978 PolarHBondContact O-N 2.82Å; E975-Q978 VanDerWaalsContact O-N 3.13Å; Q978-G981 PolarHBondContact O-N 2.99Å; Q978-K982 WeakPolarHBondContact O-CG 2.97Å; Q978-K982 PolarHBondContact O-N 3.08Å; Q978-K982 VanDerWaalsContact O-N 3.09Å
979L93.6Very high91.6Very high88 Ų88111 Ų11146%0.46153%0.528SS..Hα-helixtrans-67.3-44.7173-69.4171.2000111.8E975 V976 Q977 G981 K982 I983E975-L979 HydrophobicContact CG-CD1 4.3Å; E975-L979 WeakPolarHBondContact O-CG 3.39Å; E975-L979 PolarHBondContact O-N 3.48Å; V976-L979 PolarHBondContact O-N 3.47Å; Q977-L979 VanDerWaalsContact C-N 3.35Å; Q977-L979 PolarHBondContact O-N 3.31Å; L979-G981 VanDerWaalsContact C-N 3.29Å; L979-G981 PolarHBondContact O-N 3.28Å; L979-K982 PolarHBondContact O-N 3Å; L979-I983 WeakPolarHBondContact O-CG1 3.09Å; L979-I983 PolarHBondContact O-N 3.07Å
980Q92.3Very high91.4Very high107 Ų107109.8 Ų109.850%0.553%0.531SS..Hα-helixtrans-60-37.9174-73.51797.100112.4V976 Q977 I983 R984V976-Q980 WeakPolarHBondContact O-CG 3.43Å; V976-Q980 PolarHBondContact O-N 2.93Å; Q977-Q980 PolarHBondContact O-N 3.21Å; Q980-I983 PolarHBondContact O-N 3.11Å; Q980-R984 PolarHBondContact O-N 3.24Å
981G90.4Very high91Very high32 Ų32107.5 Ų107.533%0.3353%0.529SS..Hα-helixtrans-60.6-51.9173.100000112.5Q977 Q978 L979 I983 R984 T985Q977-G981 PolarHBondContact O-N 2.97Å; Q978-G981 PolarHBondContact O-N 2.99Å; L979-G981 VanDerWaalsContact C-N 3.29Å; L979-G981 PolarHBondContact O-N 3.28Å; G981-I983 VanDerWaalsContact C-N 3.29Å; G981-I983 PolarHBondContact O-N 3.18Å; G981-R984 PolarHBondContact O-N 3.1Å; G981-R984 VanDerWaalsContact O-N 3.16Å; G981-T985 PolarHBondContact O-N 2.93Å; G981-T985 PolarHBondContact O-OG1 3.3Å
982K94.3Very high90.6Very high110 Ų110107.3 Ų107.348%0.47853%0.527SS..Hα-helixtrans-57.1-39.9177.2-73164.2175.9166.80112.5Q978 L979 T985 L986Q978-K982 WeakPolarHBondContact O-CG 2.97Å; Q978-K982 PolarHBondContact O-N 3.08Å; Q978-K982 VanDerWaalsContact O-N 3.09Å; L979-K982 PolarHBondContact O-N 3Å; K982-T985 PolarHBondContact O-N 2.99Å; K982-L986 WeakPolarHBondContact O-CG 3.37Å; K982-L986 PolarHBondContact O-N 3.04Å; K982-L986 VanDerWaalsContact O-N 3.15Å
983I92.1Very high90.2Very high93 Ų93103.3 Ų103.348%0.47752%0.518SS..Hα-helixtrans-62.7-44.4177.6-70.1165.2000111.2L979 Q980 G981 L986 Q987L979-I983 WeakPolarHBondContact O-CG1 3.09Å; L979-I983 PolarHBondContact O-N 3.07Å; Q980-I983 PolarHBondContact O-N 3.11Å; G981-I983 VanDerWaalsContact C-N 3.29Å; G981-I983 PolarHBondContact O-N 3.18Å; I983-L986 PolarHBondContact O-N 3.15Å; I983-Q987 WeakPolarHBondContact O-CG 3.42Å; I983-Q987 PolarHBondContact O-N 3.19Å
984R91.8Very high89.9Confident174 Ų174103 Ų10366%0.65752%0.518SS*.Hα-helixtrans-60.7-47176-75-172.7-176.81343.4112.5Q980 G981 L986 Q987 E988Q980-R984 PolarHBondContact O-N 3.24Å; G981-R984 PolarHBondContact O-N 3.1Å; G981-R984 VanDerWaalsContact O-N 3.16Å; R984-L986 VanDerWaalsContact C-N 3.27Å; R984-L986 PolarHBondContact O-N 3.18Å; R984-Q987 WeakPolarHBondContact O-CB 3.3Å; R984-Q987 PolarHBondContact O-N 3.44Å; R984-Q987 VanDerWaalsContact O-N 3.13Å; R984-E988 WeakPolarHBondContact O-CB 3.32Å; R984-E988 PolarHBondContact O-N 3.19Å
985T87.5Confident89.6Confident72 Ų72101.6 Ų101.644%0.44252%0.517SS..Hα-helixtrans-61.9-35.8-179.1-500000112.2G981 K982 Q989G981-T985 PolarHBondContact O-N 2.93Å; G981-T985 PolarHBondContact O-OG1 3.3Å; K982-T985 PolarHBondContact O-N 2.99Å; T985-Q989 WeakPolarHBondContact O-CG 3.29Å; T985-Q989 PolarHBondContact O-N 3.44Å; T985-Q989 VanDerWaalsContact O-N 3.13Å
986L88.3Confident89.2Confident107 Ų10799.9 Ų99.956%0.5651%0.513SS*.Hα-helixtrans-69.8-39.6174.3-71.8169.9000112.4K982 I983 R984 Q989 L990K982-L986 WeakPolarHBondContact O-CG 3.37Å; K982-L986 PolarHBondContact O-N 3.04Å; K982-L986 VanDerWaalsContact O-N 3.15Å; I983-L986 PolarHBondContact O-N 3.15Å; R984-L986 VanDerWaalsContact C-N 3.27Å; R984-L986 PolarHBondContact O-N 3.18Å; L986-Q989 PolarHBondContact O-N 2.66Å; L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 WeakPolarHBondContact O-CG 3.16Å; L986-L990 PolarHBondContact O-N 3.2Å
987Q89.7Confident89Confident116 Ų116102.7 Ų102.754%0.54252%0.522SS..Hα-helixtrans-62.9-45.3174.7-72.5170.4-31.200111.6I983 R984 Q989 L990 E991I983-Q987 WeakPolarHBondContact O-CG 3.42Å; I983-Q987 PolarHBondContact O-N 3.19Å; R984-Q987 WeakPolarHBondContact O-CB 3.3Å; R984-Q987 PolarHBondContact O-N 3.44Å; R984-Q987 VanDerWaalsContact O-N 3.13Å; Q987-Q989 PolarHBondContact O-N 2.86Å; Q987-L990 PolarHBondContact O-N 2.82Å; Q987-E991 PolarHBondContact O-N 3.36Å
988E86Confident88.7Confident119 Ų119101 Ų10156%0.55652%0.516SS*.Hα-helixtrans-62.8-37.6178.2-176.2174.4-152.400112.6R984 N992R984-E988 WeakPolarHBondContact O-CB 3.32Å; R984-E988 PolarHBondContact O-N 3.19Å; E988-N992 WeakPolarHBondContact O-CB 3.48Å; E988-N992 PolarHBondContact O-N 2.87Å; E988-N992 VanDerWaalsContact O-N 3.07Å; E988-N992 PolarHBondContact O-ND2 2.71Å
989Q84.9Confident88.5Confident131 Ų13197.8 Ų97.861%0.61251%0.51SS*.Hα-helixtrans-69.5-38.5173.6-74.1-176.41.200112.7T985 L986 Q987 E991 G993T985-Q989 WeakPolarHBondContact O-CG 3.29Å; T985-Q989 PolarHBondContact O-N 3.44Å; T985-Q989 VanDerWaalsContact O-N 3.13Å; L986-Q989 PolarHBondContact O-N 2.66Å; Q987-Q989 PolarHBondContact O-N 2.86Å; Q989-E991 VanDerWaalsContact C-N 3.34Å; Q989-G993 PolarHBondContact O-N 3.03Å; Q989-G993 VanDerWaalsContact O-N 3.08Å
990L85.1Confident88.3Confident133 Ų133100.9 Ų100.970%0.69652%0.516SS*.Hα-helixtrans-65.9-34176.6-76.7166.1000112.7L986 Q987 P994L986-L990 WeakPolarHBondContact O-CB 3.33Å; L986-L990 WeakPolarHBondContact O-CG 3.16Å; L986-L990 PolarHBondContact O-N 3.2Å; Q987-L990 PolarHBondContact O-N 2.82Å; L990-P994 WeakPolarHBondContact O-CD 3.46Å
991E85.1Confident88.4Confident137 Ų137100 Ų10064%0.6451%0.514SS*.Hα-helixtrans-78.8-40.5177.8-172.4167.4-164.800112.8Q987 Q989 N995Q987-E991 PolarHBondContact O-N 3.36Å; Q989-E991 VanDerWaalsContact C-N 3.34Å; E991-N995 PolarHBondContact O-ND2 3.05Å
992N84.7Confident88.5Confident81 Ų81104.4 Ų104.443%0.43353%0.526SS..Hα-helixtrans-80.1-25.6-177.1-74.7-62.9000114.4E988 T996E988-N992 WeakPolarHBondContact O-CB 3.48Å; E988-N992 PolarHBondContact O-N 2.87Å; E988-N992 VanDerWaalsContact O-N 3.07Å; E988-N992 PolarHBondContact O-ND2 2.71Å; N992-T996 WeakPolarHBondContact O-CB 3.4Å; N992-T996 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-OG1 2.91Å
993G84.4Confident88.4Confident34 Ų34105.3 Ų105.335%0.35153%0.532SS..Hα-helixtrans-57.3-56.7179.700000114Q989 N995 T996 Q997Q989-G993 PolarHBondContact O-N 3.03Å; Q989-G993 VanDerWaalsContact O-N 3.08Å; G993-N995 PolarHBondContact O-N 2.88Å; G993-T996 PolarHBondContact O-N 2.82Å; G993-Q997 PolarHBondContact O-N 2.63Å; G993-Q997 VanDerWaalsContact O-N 3.12Å
994P89.1Confident88.4Confident79 Ų79105.9 Ų105.951%0.51353%0.533SS..Hα-helixtrans-60.6-42.1179.1-25.135.2000113.1L990 T996 Q997 L998L990-P994 WeakPolarHBondContact O-CD 3.46Å; P994-T996 VanDerWaalsContact C-N 3.33Å; P994-T996 PolarHBondContact O-N 3.49Å; P994-Q997 PolarHBondContact O-N 3.17Å; P994-L998 WeakPolarHBondContact O-CB 3.27Å; P994-L998 PolarHBondContact O-N 2.93Å
995N87.3Confident88.4Confident95 Ų95101.5 Ų101.551%0.50852%0.522SS..Hα-helixtrans-62.1-40.6177.9-73.4-41000111.9E991 G993 L998 A999E991-N995 PolarHBondContact O-ND2 3.05Å; G993-N995 PolarHBondContact O-N 2.88Å; N995-L998 PolarHBondContact O-N 3.21Å; N995-A999 PolarHBondContact O-N 2.92Å
996T84.8Confident88.8Confident67 Ų67101.1 Ų101.141%0.41152%0.523SS..Hα-helixtrans-65.7-38.1176.4-56.60000112.2N992 G993 P994 R1000N992-T996 WeakPolarHBondContact O-CB 3.4Å; N992-T996 PolarHBondContact O-N 3.02Å; N992-T996 PolarHBondContact O-OG1 2.91Å; G993-T996 PolarHBondContact O-N 2.82Å; P994-T996 VanDerWaalsContact C-N 3.33Å; P994-T996 PolarHBondContact O-N 3.49Å; T996-R1000 WeakPolarHBondContact O-CG 3.36Å; T996-R1000 PolarHBondContact O-N 3.28Å
997Q88.2Confident89Confident132 Ų132101 Ų10162%0.61752%0.521SS*.Hα-helixtrans-68.9-42.9174.9-72.5-174.6-11.800112G993 P994 A999 R1000 L1001G993-Q997 PolarHBondContact O-N 2.63Å; G993-Q997 VanDerWaalsContact O-N 3.12Å; P994-Q997 PolarHBondContact O-N 3.17Å; Q997-A999 VanDerWaalsContact C-N 3.33Å; Q997-A999 PolarHBondContact O-N 2.81Å; Q997-R1000 PolarHBondContact O-N 3.42Å; Q997-L1001 WeakPolarHBondContact O-CG 3.41Å; Q997-L1001 PolarHBondContact O-N 2.87Å
998L89.8Confident89.3Confident91 Ų91101 Ų10148%0.47653%0.525SS..Hα-helixtrans-59.6-42.6178.2-178.260.8000111.8P994 N995 R1000 L1001 Q1002P994-L998 WeakPolarHBondContact O-CB 3.27Å; P994-L998 PolarHBondContact O-N 2.93Å; N995-L998 PolarHBondContact O-N 3.21Å; L998-R1000 PolarHBondContact O-N 3.49Å; L998-L1001 PolarHBondContact O-N 3.5Å; L998-Q1002 WeakPolarHBondContact O-CG 3.47Å; L998-Q1002 PolarHBondContact O-N 3.45Å
999A89.6Confident89.7Confident55 Ų55103.2 Ų103.246%0.45553%0.528SS..Hα-helixtrans-61.4-42.3176.900000112.8N995 Q997 Q1002 Q1003N995-A999 PolarHBondContact O-N 2.92Å; Q997-A999 VanDerWaalsContact C-N 3.33Å; Q997-A999 PolarHBondContact O-N 2.81Å; A999-Q1002 PolarHBondContact O-N 3.03Å; A999-Q1003 PolarHBondContact O-N 3.34Å
1000R89.7Confident90.1Very high153 Ų153101.5 Ų101.558%0.57752%0.523SS*.Hα-helixtrans-63.5-47.7175.6-66.9178.8-164.51804.8111.6T996 Q997 L998 Q1002 Q1003 E1004T996-R1000 WeakPolarHBondContact O-CG 3.36Å; T996-R1000 PolarHBondContact O-N 3.28Å; Q997-R1000 PolarHBondContact O-N 3.42Å; L998-R1000 PolarHBondContact O-N 3.49Å; R1000-Q1002 VanDerWaalsContact C-N 3.26Å; R1000-Q1002 PolarHBondContact O-N 2.96Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; R1000-Q1003 PolarHBondContact O-N 2.83Å; R1000-Q1003 VanDerWaalsContact O-N 3.09Å; R1000-E1004 WeakPolarHBondContact O-CG 3.34Å; R1000-E1004 PolarHBondContact O-N 3.19Å
1001L92.9Very high90.6Very high90 Ų9097.7 Ų97.747%0.47151%0.511SS..Hα-helixtrans-61.6-33.6178.7-70.5169.8000112.3Q997 L998 N1005Q997-L1001 WeakPolarHBondContact O-CG 3.41Å; Q997-L1001 PolarHBondContact O-N 2.87Å; L998-L1001 PolarHBondContact O-N 3.5Å; L1001-N1005 WeakPolarHBondContact O-CB 3.47Å; L1001-N1005 PolarHBondContact O-N 3.17Å; L1001-N1005 PolarHBondContact O-ND2 3Å
1002Q92.6Very high91.1Very high123 Ų12396.4 Ų96.458%0.57551%0.508SS*.Hα-helixtrans-67.9-43.5172.4-74.7175.6-6.800112.2L998 A999 R1000 N1005 S1006L998-Q1002 WeakPolarHBondContact O-CG 3.47Å; L998-Q1002 PolarHBondContact O-N 3.45Å; A999-Q1002 PolarHBondContact O-N 3.03Å; R1000-Q1002 VanDerWaalsContact C-N 3.26Å; R1000-Q1002 PolarHBondContact O-N 2.96Å; Q1002-N1005 PolarHBondContact O-N 3.45Å; Q1002-S1006 PolarHBondContact O-N 3.45Å
1003Q93.5Very high91.6Very high130 Ų13097.3 Ų97.361%0.60751%0.512SS*.Hα-helixtrans-62.4-45.9176.1-173.8178.73.800111.9A999 R1000 N1005 S1006 I1007A999-Q1003 PolarHBondContact O-N 3.34Å; R1000-Q1003 WeakPolarHBondContact O-CB 3.39Å; R1000-Q1003 PolarHBondContact O-N 2.83Å; R1000-Q1003 VanDerWaalsContact O-N 3.09Å; Q1003-N1005 VanDerWaalsContact C-N 3.35Å; Q1003-N1005 PolarHBondContact O-N 2.66Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.39Å; Q1003-S1006 PolarHBondContact O-N 2.94Å; Q1003-S1006 VanDerWaalsContact O-N 3.14Å; Q1003-I1007 HydrophobicContact CG-CD1 4.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; Q1003-I1007 PolarHBondContact O-N 2.74Å; Q1003-I1007 VanDerWaalsContact O-N 3.09Å
1004E92.1Very high92Very high105 Ų105102.7 Ų102.749%0.49153%0.528SS..Hα-helixtrans-59.6-43175.2-71.6168.6-168.200111.7R1000 S1006 I1007 L1008R1000-E1004 WeakPolarHBondContact O-CG 3.34Å; R1000-E1004 PolarHBondContact O-N 3.19Å; E1004-S1006 VanDerWaalsContact C-N 3.31Å; E1004-S1006 PolarHBondContact O-N 2.83Å; E1004-I1007 PolarHBondContact O-N 2.76Å; E1004-L1008 WeakPolarHBondContact O-CB 3.46Å; E1004-L1008 VanDerWaalsContact O-CG 3.3Å; E1004-L1008 WeakPolarHBondContact O-CG 3.41Å; E1004-L1008 PolarHBondContact O-N 2.8Å
1005N92.2Very high92.3Very high81 Ų81101.5 Ų101.543%0.43353%0.525SS..Hα-helixtrans-63.3-32.3174.7-91.1-93.6000113.4L1001 Q1002 Q1003 R1009L1001-N1005 WeakPolarHBondContact O-CB 3.47Å; L1001-N1005 PolarHBondContact O-N 3.17Å; L1001-N1005 PolarHBondContact O-ND2 3Å; Q1002-N1005 PolarHBondContact O-N 3.45Å; Q1003-N1005 VanDerWaalsContact C-N 3.35Å; Q1003-N1005 PolarHBondContact O-N 2.66Å; N1005-R1009 WeakPolarHBondContact O-CG 3.4Å; N1005-R1009 PolarHBondContact O-N 3.08Å; N1005-R1009 VanDerWaalsContact O-N 3.17Å
1006S95.4Very high92.6Very high64 Ų6499.8 Ų99.845%0.44852%0.518SS..Hα-helixtrans-66.9-51.5173.9-159.80000110.8Q1002 Q1003 E1004 L1008 R1009 D1010Q1002-S1006 PolarHBondContact O-N 3.45Å; Q1003-S1006 WeakPolarHBondContact O-CB 3.39Å; Q1003-S1006 PolarHBondContact O-N 2.94Å; Q1003-S1006 VanDerWaalsContact O-N 3.14Å; E1004-S1006 VanDerWaalsContact C-N 3.31Å; E1004-S1006 PolarHBondContact O-N 2.83Å; S1006-L1008 VanDerWaalsContact C-N 3.29Å; S1006-L1008 PolarHBondContact O-N 2.9Å; S1006-R1009 PolarHBondContact O-N 3.01Å; S1006-D1010 PolarHBondContact O-N 2.74Å
1007I92.6Very high93Very high104 Ų10499.9 Ų99.953%0.53352%0.522SS..Hα-helixtrans-58.5-41.9-179.5-64.2165.8000110.9Q1003 E1004 D1010 A1011Q1003-I1007 HydrophobicContact CG-CD1 4.25Å; Q1003-I1007 WeakPolarHBondContact O-CG1 3.39Å; Q1003-I1007 PolarHBondContact O-N 2.74Å; Q1003-I1007 VanDerWaalsContact O-N 3.09Å; E1004-I1007 PolarHBondContact O-N 2.76Å; I1007-D1010 PolarHBondContact O-N 2.8Å; I1007-A1011 VanDerWaalsContact O-CB 3.27Å; I1007-A1011 WeakPolarHBondContact O-CB 3.48Å; I1007-A1011 PolarHBondContact O-N 3.05Å
1008L95Very high93.2Very high118 Ų11898.3 Ų98.362%0.61852%0.515SS*.Hα-helixtrans-64.9-36.8176.5-71.7171.3000113E1004 S1006 L1012E1004-L1008 WeakPolarHBondContact O-CB 3.46Å; E1004-L1008 VanDerWaalsContact O-CG 3.3Å; E1004-L1008 WeakPolarHBondContact O-CG 3.41Å; E1004-L1008 PolarHBondContact O-N 2.8Å; S1006-L1008 VanDerWaalsContact C-N 3.29Å; S1006-L1008 PolarHBondContact O-N 2.9Å; L1008-L1012 VanDerWaalsContact O-CB 3.23Å; L1008-L1012 WeakPolarHBondContact O-CB 3.39Å; L1008-L1012 PolarHBondContact O-N 2.87Å
1009R94.7Very high93.4Very high165 Ų16597.6 Ų97.662%0.62351%0.514SS*.Hα-helixtrans-69.3-43.3175-77.1175.2179.4167.42.2112N1005 S1006 L1012 N1013N1005-R1009 WeakPolarHBondContact O-CG 3.4Å; N1005-R1009 PolarHBondContact O-N 3.08Å; N1005-R1009 VanDerWaalsContact O-N 3.17Å; S1006-R1009 PolarHBondContact O-N 3.01Å; R1009-L1012 PolarHBondContact O-N 2.97Å; R1009-N1013 WeakPolarHBondContact O-CB 3.38Å; R1009-N1013 PolarHBondContact O-N 3.19Å; R1009-N1013 PolarHBondContact O-ND2 2.59Å
1010D94.4Very high93.5Very high94 Ų94100.5 Ų100.550%0.50352%0.518SS..Hα-helixtrans-67.1-40.9179.6-65.7-36.2000111.3S1006 I1007 N1013 Q1014S1006-D1010 PolarHBondContact O-N 2.74Å; I1007-D1010 PolarHBondContact O-N 2.8Å; D1010-N1013 PolarHBondContact O-N 3.06Å; D1010-Q1014 VanDerWaalsContact O-CB 3.27Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.43Å; D1010-Q1014 PolarHBondContact O-N 2.84Å
1011A95.3Very high93.6Very high54 Ų5496.1 Ų96.145%0.44651%0.511SS..Hα-helixtrans-62.3-43172.200000112.4I1007 Q1014 A1015I1007-A1011 VanDerWaalsContact O-CB 3.27Å; I1007-A1011 WeakPolarHBondContact O-CB 3.48Å; I1007-A1011 PolarHBondContact O-N 3.05Å; A1011-Q1014 PolarHBondContact O-N 2.93Å; A1011-A1015 VanDerWaalsContact O-CB 3.29Å; A1011-A1015 WeakPolarHBondContact O-CB 3.39Å; A1011-A1015 PolarHBondContact O-N 2.88Å
1012L95.3Very high93.7Very high110 Ų11097.1 Ų97.158%0.57651%0.511SS*.Hα-helixtrans-63.9-45.1176.4179.663000111.9L1008 R1009 A1015 T1016L1008-L1012 VanDerWaalsContact O-CB 3.23Å; L1008-L1012 WeakPolarHBondContact O-CB 3.39Å; L1008-L1012 PolarHBondContact O-N 2.87Å; R1009-L1012 PolarHBondContact O-N 2.97Å; L1012-A1015 PolarHBondContact O-N 3.05Å; L1012-T1016 WeakPolarHBondContact O-CB 3.48Å; L1012-T1016 PolarHBondContact O-N 3.02Å; L1012-T1016 PolarHBondContact O-OG1 3.49Å
1013N94Very high93.7Very high99 Ų9996.8 Ų96.853%0.52951%0.51SS..Hα-helixtrans-62.3-44.8177-72.6-24.8000111.3R1009 D1010 T1016 S1017R1009-N1013 WeakPolarHBondContact O-CB 3.38Å; R1009-N1013 PolarHBondContact O-N 3.19Å; R1009-N1013 PolarHBondContact O-ND2 2.59Å; D1010-N1013 PolarHBondContact O-N 3.06Å; N1013-T1016 PolarHBondContact O-N 2.66Å; N1013-S1017 WeakPolarHBondContact O-CB 3.46Å; N1013-S1017 PolarHBondContact O-N 3.45Å
1014Q93.8Very high93.7Very high147 Ų14795.6 Ų95.669%0.68751%0.507SS*.Hα-helixtrans-66-41.4179-168.7178.310300111.8D1010 A1011 Q1018D1010-Q1014 VanDerWaalsContact O-CB 3.27Å; D1010-Q1014 WeakPolarHBondContact O-CB 3.43Å; D1010-Q1014 PolarHBondContact O-N 2.84Å; A1011-Q1014 PolarHBondContact O-N 2.93Å; Q1014-Q1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-Q1018 PolarHBondContact O-N 3.14Å
1015A94.6Very high93.8Very high54 Ų5494.4 Ų94.445%0.44651%0.508SS..Hα-helixtrans-63.5-45.5173.900000111.9A1011 L1012 Q1018 V1019A1011-A1015 VanDerWaalsContact O-CB 3.29Å; A1011-A1015 WeakPolarHBondContact O-CB 3.39Å; A1011-A1015 PolarHBondContact O-N 2.88Å; L1012-A1015 PolarHBondContact O-N 3.05Å; A1015-Q1018 PolarHBondContact O-N 2.77Å; A1015-V1019 WeakPolarHBondContact O-CG2 3.33Å; A1015-V1019 PolarHBondContact O-N 2.89Å
1016T93.6Very high93.8Very high59 Ų5996.1 Ų96.136%0.36251%0.513SS..Hα-helixtrans-60.2-51.2178.4-54.80000110.7L1012 N1013 Q1018 V1019 E1020L1012-T1016 WeakPolarHBondContact O-CB 3.48Å; L1012-T1016 PolarHBondContact O-N 3.02Å; L1012-T1016 PolarHBondContact O-OG1 3.49Å; N1013-T1016 PolarHBondContact O-N 2.66Å; T1016-Q1018 VanDerWaalsContact C-N 3.27Å; T1016-Q1018 PolarHBondContact O-N 3.2Å; T1016-V1019 PolarHBondContact O-N 2.75Å; T1016-E1020 HydrophobicContact CG2-CG 4.4Å; T1016-E1020 WeakPolarHBondContact O-CG 3.29Å; T1016-E1020 PolarHBondContact O-N 2.86Å
1017S93.6Very high93.8Very high69 Ų6996.8 Ų96.848%0.48351%0.511SS..Hα-helixtrans-60.4-35.5177.8-173.10000112.7N1013 S1021N1013-S1017 WeakPolarHBondContact O-CB 3.46Å; N1013-S1017 PolarHBondContact O-N 3.45Å; S1017-S1021 WeakPolarHBondContact O-CB 3.47Å; S1017-S1021 PolarHBondContact O-N 3.22Å; S1017-S1021 PolarHBondContact O-OG 3.46Å
1018Q92.7Very high93.8Very high100 Ų10094.3 Ų94.347%0.46751%0.506SS..Hα-helixtrans-70.4-33174.8-157.5-166.6103.400112.7Q1014 A1015 T1016 S1021 K1022Q1014-Q1018 WeakPolarHBondContact O-CB 3.46Å; Q1014-Q1018 PolarHBondContact O-N 3.14Å; A1015-Q1018 PolarHBondContact O-N 2.77Å; T1016-Q1018 VanDerWaalsContact C-N 3.27Å; T1016-Q1018 PolarHBondContact O-N 3.2Å; Q1018-S1021 WeakPolarHBondContact CA-OG 3.01Å; Q1018-S1021 PolarHBondContact O-OG 2.69Å; Q1018-K1022 WeakPolarHBondContact O-CB 3.38Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.29Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-K1022 PolarHBondContact O-N 3.32Å
1019V94.4Very high93.8Very high76 Ų7694.5 Ų94.546%0.46150%0.502SS..Hα-helixtrans-71-47.5173.4170.20000110.8A1015 T1016 S1021 K1022 Q1023A1015-V1019 WeakPolarHBondContact O-CG2 3.33Å; A1015-V1019 PolarHBondContact O-N 2.89Å; T1016-V1019 PolarHBondContact O-N 2.75Å; V1019-S1021 PolarHBondContact O-N 3.48Å; V1019-K1022 PolarHBondContact O-N 3.39Å; V1019-Q1023 HydrophobicContact CG1-CG 4.37Å; V1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; V1019-Q1023 WeakPolarHBondContact O-CG 3.46Å; V1019-Q1023 PolarHBondContact O-N 3.07Å
1020E91.9Very high93.8Very high116 Ų11691.6 Ų91.654%0.54250%0.498SS..Hα-helixtrans-61.4-43.4179.7-70.6176.6159.500112.3T1016 Q1023 N1024T1016-E1020 HydrophobicContact CG2-CG 4.4Å; T1016-E1020 WeakPolarHBondContact O-CG 3.29Å; T1016-E1020 PolarHBondContact O-N 2.86Å; E1020-Q1023 PolarHBondContact O-N 2.74Å; E1020-N1024 VanDerWaalsContact O-CB 3.3Å; E1020-N1024 WeakPolarHBondContact O-CB 3.35Å; E1020-N1024 PolarHBondContact O-N 2.98Å
1021S91.7Very high93.8Very high61 Ų6194.9 Ų94.943%0.42750%0.503SS..Hα-helixtrans-67-37.1177.653.10000112.9S1017 Q1018 V1019 T1025S1017-S1021 WeakPolarHBondContact O-CB 3.47Å; S1017-S1021 PolarHBondContact O-N 3.22Å; S1017-S1021 PolarHBondContact O-OG 3.46Å; Q1018-S1021 WeakPolarHBondContact CA-OG 3.01Å; Q1018-S1021 PolarHBondContact O-OG 2.69Å; V1019-S1021 PolarHBondContact O-N 3.48Å; S1021-T1025 WeakPolarHBondContact O-CB 3.28Å; S1021-T1025 PolarHBondContact O-N 3.34Å; S1021-T1025 VanDerWaalsContact O-N 3.09Å; S1021-T1025 PolarHBondContact O-OG1 2.85Å
1022K93.5Very high93.7Very high110 Ų11098.8 Ų98.848%0.47851%0.513SS..Hα-helixtrans-62.3-52.5170.3-76.3168.9176.8171.10111.2Q1018 V1019 N1024 T1025 E1026Q1018-K1022 WeakPolarHBondContact O-CB 3.38Å; Q1018-K1022 WeakPolarHBondContact O-CD 3.29Å; Q1018-K1022 WeakPolarHBondContact O-CG 3.42Å; Q1018-K1022 PolarHBondContact O-N 3.32Å; V1019-K1022 PolarHBondContact O-N 3.39Å; K1022-N1024 PolarHBondContact O-N 3.44Å; K1022-T1025 WeakPolarHBondContact O-CB 3.07Å; K1022-T1025 PolarHBondContact O-N 3.22Å; K1022-T1025 VanDerWaalsContact O-N 3.13Å; K1022-E1026 PolarHBondContact O-N 3.16Å
1023Q94.3Very high93.7Very high116 Ų11699.1 Ų99.154%0.54251%0.511SS..Hα-helixtrans-58.1-44.6178.8-74.7179.6-6.800112.1V1019 E1020 T1025 E1026 L1027V1019-Q1023 HydrophobicContact CG1-CG 4.37Å; V1019-Q1023 WeakPolarHBondContact O-CB 3.44Å; V1019-Q1023 WeakPolarHBondContact O-CG 3.46Å; V1019-Q1023 PolarHBondContact O-N 3.07Å; E1020-Q1023 PolarHBondContact O-N 2.74Å; Q1023-T1025 VanDerWaalsContact C-N 3.31Å; Q1023-T1025 PolarHBondContact O-N 2.92Å; Q1023-E1026 PolarHBondContact O-N 3.03Å; Q1023-L1027 VanDerWaalsContact O-CB 3.22Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.34Å; Q1023-L1027 PolarHBondContact O-N 3.22Å
1024N93.4Very high93.7Very high105 Ų105100.2 Ų100.256%0.56152%0.517SS*.Hα-helixtrans-66.1-34179-164.425.6000112E1020 K1022 A1028E1020-N1024 VanDerWaalsContact O-CB 3.3Å; E1020-N1024 WeakPolarHBondContact O-CB 3.35Å; E1020-N1024 PolarHBondContact O-N 2.98Å; K1022-N1024 PolarHBondContact O-N 3.44Å; N1024-A1028 WeakPolarHBondContact O-CB 3.45Å; N1024-A1028 PolarHBondContact O-N 3.09Å
1025T92.4Very high93.7Very high81 Ų8196.8 Ų96.850%0.49751%0.509SS..Hα-helixtrans-66.8-42.6173.8-57.80000111.9S1021 K1022 Q1023 K1029S1021-T1025 WeakPolarHBondContact O-CB 3.28Å; S1021-T1025 PolarHBondContact O-N 3.34Å; S1021-T1025 VanDerWaalsContact O-N 3.09Å; S1021-T1025 PolarHBondContact O-OG1 2.85Å; K1022-T1025 WeakPolarHBondContact O-CB 3.07Å; K1022-T1025 PolarHBondContact O-N 3.22Å; K1022-T1025 VanDerWaalsContact O-N 3.13Å; Q1023-T1025 VanDerWaalsContact C-N 3.31Å; Q1023-T1025 PolarHBondContact O-N 2.92Å; T1025-K1029 WeakPolarHBondContact O-CG 3.44Å; T1025-K1029 PolarHBondContact O-N 2.97Å; T1025-K1029 VanDerWaalsContact O-N 3.1Å
1026E93.5Very high93.7Very high117 Ų117100.5 Ų100.555%0.54752%0.515SS..Hα-helixtrans-66.7-42.7175.3-70.6174.5178.600111.7K1022 Q1023 A1028 K1029 L1030K1022-E1026 PolarHBondContact O-N 3.16Å; Q1023-E1026 PolarHBondContact O-N 3.03Å; E1026-A1028 VanDerWaalsContact C-N 3.31Å; E1026-A1028 PolarHBondContact O-N 3.33Å; E1026-K1029 WeakPolarHBondContact O-CB 3.44Å; E1026-K1029 PolarHBondContact O-N 3.03Å; E1026-K1029 VanDerWaalsContact O-N 3.15Å; E1026-L1030 WeakPolarHBondContact O-CG 3.28Å; E1026-L1030 PolarHBondContact O-N 2.67Å
1027L94.6Very high93.7Very high77 Ų77101.9 Ų101.940%0.40352%0.523SS..Hα-helixtrans-66.2-33.8178.6-156.6159000111.4Q1023 R1031Q1023-L1027 VanDerWaalsContact O-CB 3.22Å; Q1023-L1027 WeakPolarHBondContact O-CB 3.34Å; Q1023-L1027 PolarHBondContact O-N 3.22Å; L1027-R1031 HydrophobicContact CD2-CG 4.28Å; L1027-R1031 VanDerWaalsContact CD2-NE 3.32Å; L1027-R1031 WeakPolarHBondContact O-CB 3.48Å; L1027-R1031 VanDerWaalsContact O-CG 3.31Å; L1027-R1031 WeakPolarHBondContact O-CG 3.49Å; L1027-R1031 PolarHBondContact O-N 2.93Å
1028A93.6Very high93.7Very high52 Ų52103.4 Ų103.443%0.4353%0.526SS..Hα-helixtrans-64.7-45.1169.300000112.5N1024 E1026 R1031 Q1032N1024-A1028 WeakPolarHBondContact O-CB 3.45Å; N1024-A1028 PolarHBondContact O-N 3.09Å; E1026-A1028 VanDerWaalsContact C-N 3.31Å; E1026-A1028 PolarHBondContact O-N 3.33Å; A1028-R1031 PolarHBondContact O-N 3.25Å; A1028-Q1032 PolarHBondContact O-N 3.49Å
1029K94.6Very high93.9Very high123 Ų123105 Ų10554%0.53553%0.531SS..Hα-helixtrans-60.1-47.1174.2-73176179.9177.90111.8T1025 E1026 R1031 Q1032 E1033T1025-K1029 WeakPolarHBondContact O-CG 3.44Å; T1025-K1029 PolarHBondContact O-N 2.97Å; T1025-K1029 VanDerWaalsContact O-N 3.1Å; E1026-K1029 WeakPolarHBondContact O-CB 3.44Å; E1026-K1029 PolarHBondContact O-N 3.03Å; E1026-K1029 VanDerWaalsContact O-N 3.15Å; K1029-R1031 VanDerWaalsContact C-N 3.33Å; K1029-R1031 PolarHBondContact O-N 2.59Å; K1029-Q1032 WeakPolarHBondContact O-CA 3.46Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; K1029-Q1032 PolarHBondContact O-N 3.23Å; K1029-E1033 PolarHBondContact O-N 2.98Å
1030L95Very high93.9Very high103 Ų103105.1 Ų105.154%0.53953%0.527SS..Hα-helixtrans-61.2-38.8178-70.9170000112.2E1026 E1033 L1034E1026-L1030 WeakPolarHBondContact O-CG 3.28Å; E1026-L1030 PolarHBondContact O-N 2.67Å; L1030-E1033 PolarHBondContact O-N 3.17Å; L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 VanDerWaalsContact O-CG 3.29Å; L1030-L1034 WeakPolarHBondContact O-CG 3.46Å; L1030-L1034 PolarHBondContact O-N 2.82Å
1031R93.8Very high93.9Very high163 Ų163103.7 Ų103.762%0.61552%0.522SS*.Hα-helixtrans-63.2-41.2171.8-77171.31731590.5112.1L1027 A1028 K1029 S1035L1027-R1031 HydrophobicContact CD2-CG 4.28Å; L1027-R1031 VanDerWaalsContact CD2-NE 3.32Å; L1027-R1031 WeakPolarHBondContact O-CB 3.48Å; L1027-R1031 VanDerWaalsContact O-CG 3.31Å; L1027-R1031 WeakPolarHBondContact O-CG 3.49Å; L1027-R1031 PolarHBondContact O-N 2.93Å; A1028-R1031 PolarHBondContact O-N 3.25Å; K1029-R1031 VanDerWaalsContact C-N 3.33Å; K1029-R1031 PolarHBondContact O-N 2.59Å; R1031-S1035 PolarHBondContact O-N 3.31Å
1032Q93.7Very high94.1Very high136 Ų136104 Ų10464%0.63652%0.522SS*.Hα-helixtrans-64.3-45.2176.1-170.3-179.113.800111.5A1028 K1029 S1035 K1036A1028-Q1032 PolarHBondContact O-N 3.49Å; K1029-Q1032 WeakPolarHBondContact O-CA 3.46Å; K1029-Q1032 WeakPolarHBondContact O-CB 3.42Å; K1029-Q1032 PolarHBondContact O-N 3.23Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 2.91Å; Q1032-S1035 PolarHBondContact O-OG 2.94Å; Q1032-K1036 PolarHBondContact O-N 3.46Å
1033E94.1Very high94.2Very high118 Ų118103.7 Ų103.755%0.55152%0.522SS*.Hα-helixtrans-63.9-43.5177.2-72.1-176.3170.400111.9K1029 L1030 S1035 K1036 V1037K1029-E1033 PolarHBondContact O-N 2.98Å; L1030-E1033 PolarHBondContact O-N 3.17Å; E1033-S1035 VanDerWaalsContact C-N 3.3Å; E1033-S1035 PolarHBondContact O-N 2.97Å; E1033-K1036 PolarHBondContact O-N 2.99Å; E1033-K1036 VanDerWaalsContact O-N 3.12Å; E1033-V1037 WeakPolarHBondContact O-CB 2.96Å; E1033-V1037 WeakPolarHBondContact O-CG2 3.11Å; E1033-V1037 PolarHBondContact O-N 2.77Å
1034L94.2Very high94.2Very high122 Ų122102.8 Ų102.864%0.63952%0.516SS*.Hα-helixtrans-57.3-41.5172-76.5169.7000112L1030 K1036 N1038L1030-L1034 WeakPolarHBondContact O-CB 3.44Å; L1030-L1034 VanDerWaalsContact O-CG 3.29Å; L1030-L1034 WeakPolarHBondContact O-CG 3.46Å; L1030-L1034 PolarHBondContact O-N 2.82Å; L1034-K1036 VanDerWaalsContact C-N 3.34Å; L1034-K1036 PolarHBondContact O-N 3Å; L1034-N1038 VanDerWaalsContact O-CB 3.23Å; L1034-N1038 WeakPolarHBondContact O-CB 3.42Å; L1034-N1038 PolarHBondContact O-N 2.79Å
1035S94Very high94.1Very high75 Ų75100.7 Ų100.752%0.52451%0.509SS..Hα-helixtrans-63.4-39.4176830000112.4R1031 Q1032 E1033 K1039R1031-S1035 PolarHBondContact O-N 3.31Å; Q1032-S1035 WeakPolarHBondContact O-CB 3.42Å; Q1032-S1035 PolarHBondContact O-N 2.91Å; Q1032-S1035 PolarHBondContact O-OG 2.94Å; E1033-S1035 VanDerWaalsContact C-N 3.3Å; E1033-S1035 PolarHBondContact O-N 2.97Å; S1035-K1039 WeakPolarHBondContact O-CB 3.44Å; S1035-K1039 PolarHBondContact O-N 3Å
1036K95.1Very high94.1Very high132 Ų132102.9 Ų102.957%0.57451%0.514SS*.Hα-helixtrans-69.5-48.5178.9-175-173.2174.9-166.10111.4Q1032 E1033 L1034 N1038 K1039 E1040Q1032-K1036 PolarHBondContact O-N 3.46Å; E1033-K1036 PolarHBondContact O-N 2.99Å; E1033-K1036 VanDerWaalsContact O-N 3.12Å; L1034-K1036 VanDerWaalsContact C-N 3.34Å; L1034-K1036 PolarHBondContact O-N 3Å; K1036-N1038 VanDerWaalsContact C-N 3.3Å; K1036-N1038 PolarHBondContact O-N 2.97Å; K1036-K1039 WeakPolarHBondContact O-CB 3.28Å; K1036-K1039 PolarHBondContact O-N 3.13Å; K1036-K1039 VanDerWaalsContact O-N 3.17Å; K1036-E1040 WeakPolarHBondContact CE-OE1 3.47Å; K1036-E1040 WeakPolarHBondContact O-CG 2.84Å; K1036-E1040 PolarHBondContact O-N 3.42Å
1037V93.9Very high94.2Very high88 Ų8898.5 Ų98.553%0.53350%0.498SS..Hα-helixtrans-62.2-37.7176.7172.40000111.2E1033 E1040 L1041E1033-V1037 WeakPolarHBondContact O-CB 2.96Å; E1033-V1037 WeakPolarHBondContact O-CG2 3.11Å; E1033-V1037 PolarHBondContact O-N 2.77Å; V1037-E1040 CarbonylContact O-C 3.44Å; V1037-E1040 PolarHBondContact O-N 3.22Å; V1037-L1041 WeakPolarHBondContact O-CB 2.87Å; V1037-L1041 PolarHBondContact O-N 3.18Å
1038N94.2Very high94Very high100 Ų10096.7 Ų96.754%0.53549%0.492SS..Hα-helixtrans-67.6-40.5174.2-169.642.3000111.9L1034 K1036 L1041 V1042L1034-N1038 VanDerWaalsContact O-CB 3.23Å; L1034-N1038 WeakPolarHBondContact O-CB 3.42Å; L1034-N1038 PolarHBondContact O-N 2.79Å; K1036-N1038 VanDerWaalsContact C-N 3.3Å; K1036-N1038 PolarHBondContact O-N 2.97Å; N1038-L1041 WeakPolarHBondContact O-CB 3.17Å; N1038-L1041 PolarHBondContact O-N 2.83Å; N1038-L1041 VanDerWaalsContact O-N 3.15Å; N1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; N1038-V1042 PolarHBondContact O-N 2.86Å
1039K95.7Very high93.9Very high133 Ų133102.1 Ų102.158%0.57850%0.501SS*.Hα-helixtrans-61-46.1172-179.3173171.1176.50111.5S1035 K1036 L1041 V1042 E1043S1035-K1039 WeakPolarHBondContact O-CB 3.44Å; S1035-K1039 PolarHBondContact O-N 3Å; K1036-K1039 WeakPolarHBondContact O-CB 3.28Å; K1036-K1039 PolarHBondContact O-N 3.13Å; K1036-K1039 VanDerWaalsContact O-N 3.17Å; K1039-L1041 PolarHBondContact O-N 2.88Å; K1039-V1042 PolarHBondContact O-N 2.91Å; K1039-E1043 WeakPolarHBondContact CE-OE1 3.19Å; K1039-E1043 HydrophobicContact CG-CG 4.39Å; K1039-E1043 IonicContact NZ-OE1 3.46Å; K1039-E1043 VanDerWaalsContact O-CB 3.31Å; K1039-E1043 WeakPolarHBondContact O-CB 3.09Å; K1039-E1043 WeakPolarHBondContact O-CG 3.39Å; K1039-E1043 PolarHBondContact O-N 3.1Å
1040E93.8Very high93.8Very high80 Ų8099.9 Ų99.937%0.37449%0.493SS..Hα-helixtrans-66.3-21.2174.2-70-179.9-150.100113.5K1036 V1037 K1044K1036-E1040 WeakPolarHBondContact CE-OE1 3.47Å; K1036-E1040 WeakPolarHBondContact O-CG 2.84Å; K1036-E1040 PolarHBondContact O-N 3.42Å; V1037-E1040 CarbonylContact O-C 3.44Å; V1037-E1040 PolarHBondContact O-N 3.22Å; E1040-K1044 VanDerWaalsContact O-CB 3.22Å; E1040-K1044 WeakPolarHBondContact O-CB 3.33Å; E1040-K1044 WeakPolarHBondContact O-CG 3.44Å; E1040-K1044 PolarHBondContact O-N 2.75Å
1041L93.8Very high93.5Very high86 Ų8697.8 Ų97.845%0.4548%0.48SS..Hα-helixtrans-77.4-48.6171.6-179.161.7000111.4K148 V1037 N1038 K1039 K1044 S1045K148-L1041 HydrophobicContact CD-CD1 4.32Å; V1037-L1041 WeakPolarHBondContact O-CB 2.87Å; V1037-L1041 PolarHBondContact O-N 3.18Å; N1038-L1041 WeakPolarHBondContact O-CB 3.17Å; N1038-L1041 PolarHBondContact O-N 2.83Å; N1038-L1041 VanDerWaalsContact O-N 3.15Å; K1039-L1041 PolarHBondContact O-N 2.88Å; L1041-K1044 CarbonylContact O-C 3.39Å; L1041-K1044 PolarHBondContact O-N 2.81Å; L1041-S1045 WeakPolarHBondContact O-CB 3.43Å; L1041-S1045 PolarHBondContact O-N 3.12Å; L1041-S1045 PolarHBondContact O-OG 2.76Å
1042V95.5Very high93.3Very high68 Ų6893.3 Ų93.341%0.41247%0.466SS..Hα-helixtrans-58.6-51.9172.8174.70000109.5N1038 K1039 K1044 S1045 E1046N1038-V1042 WeakPolarHBondContact O-CG2 3.18Å; N1038-V1042 PolarHBondContact O-N 2.86Å; K1039-V1042 PolarHBondContact O-N 2.91Å; V1042-K1044 PolarHBondContact O-N 2.97Å; V1042-S1045 CarbonylContact O-C 3.57Å; V1042-S1045 WeakPolarHBondContact O-CA 3.38Å; V1042-S1045 PolarHBondContact O-N 2.84Å; V1042-S1045 PolarHBondContact O-OG 2.77Å; V1042-E1046 PolarHBondContact O-N 3.47Å
1043E94.5Very high93.3Very high103 Ų10390.9 Ų90.948%0.48146%0.455SS..Hα-helixtrans-59.3-41.9177.4-75.4-179.3-172.100112.3K1039 S1045 A1047K1039-E1043 WeakPolarHBondContact CE-OE1 3.19Å; K1039-E1043 HydrophobicContact CG-CG 4.39Å; K1039-E1043 IonicContact NZ-OE1 3.46Å; K1039-E1043 VanDerWaalsContact O-CB 3.31Å; K1039-E1043 WeakPolarHBondContact O-CB 3.09Å; K1039-E1043 WeakPolarHBondContact O-CG 3.39Å; K1039-E1043 PolarHBondContact O-N 3.1Å; E1043-S1045 VanDerWaalsContact C-N 3.27Å; E1043-S1045 PolarHBondContact O-N 3.49Å; E1043-A1047 VanDerWaalsContact O-CA 3.27Å; E1043-A1047 WeakPolarHBondContact O-CA 3.46Å; E1043-A1047 WeakPolarHBondContact O-CB 3.37Å; E1043-A1047 PolarHBondContact O-N 2.84Å
1044K94Very high93.2Very high96 Ų9689.2 Ų89.242%0.41745%0.447SS..Hα-helixtrans-75.5-6.5172.5-72-177.71761740114.4K148 E1040 L1041 V1042 A1047 S1048K148-K1044 HydrophobicContact CD-CB 3.89Å; K148-K1044 HydrophobicContact CD-CD 4.17Å; E1040-K1044 VanDerWaalsContact O-CB 3.22Å; E1040-K1044 WeakPolarHBondContact O-CB 3.33Å; E1040-K1044 WeakPolarHBondContact O-CG 3.44Å; E1040-K1044 PolarHBondContact O-N 2.75Å; L1041-K1044 CarbonylContact O-C 3.39Å; L1041-K1044 PolarHBondContact O-N 2.81Å; V1042-K1044 PolarHBondContact O-N 2.97Å; K1044-A1047 CarbonylContact O-C 3.51Å; K1044-A1047 VanDerWaalsContact O-C 3.25Å; K1044-S1048 PolarHBondContact O-N 2.86Å
1045S91.2Very high93Very high61 Ų6190.9 Ų90.943%0.42745%0.445SS..Hα-helixtrans-99.9-35.4174.576.80000112.8L1041 V1042 E1043 A1047 S1048 R1049L1041-S1045 WeakPolarHBondContact O-CB 3.43Å; L1041-S1045 PolarHBondContact O-N 3.12Å; L1041-S1045 PolarHBondContact O-OG 2.76Å; V1042-S1045 CarbonylContact O-C 3.57Å; V1042-S1045 WeakPolarHBondContact O-CA 3.38Å; V1042-S1045 PolarHBondContact O-N 2.84Å; V1042-S1045 PolarHBondContact O-OG 2.77Å; E1043-S1045 VanDerWaalsContact C-N 3.27Å; E1043-S1045 PolarHBondContact O-N 3.49Å; S1045-A1047 VanDerWaalsContact C-N 3.31Å; S1045-S1048 CarbonylContact O-C 3.58Å; S1045-S1048 WeakPolarHBondContact O-CA 3.32Å; S1045-S1048 WeakPolarHBondContact O-CB 3.38Å; S1045-S1048 PolarHBondContact O-N 2.82Å; S1045-R1049 PolarHBondContact O-N 2.89Å
1046E94.3Very high93Very high127 Ų12792.6 Ų92.659%0.59344%0.443SS*.Hα-helixtrans-69.1-34.5160.1-71.5-161.2-172.100111V1042 S1048 R1049 Q1050V1042-E1046 PolarHBondContact O-N 3.47Å; E1046-S1048 PolarHBondContact O-N 2.89Å; E1046-R1049 VanDerWaalsContact C-N 3.34Å; E1046-R1049 CarbonylContact O-C 3.58Å; E1046-R1049 WeakPolarHBondContact O-CA 3.36Å; E1046-R1049 PolarHBondContact O-N 2.96Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; E1046-Q1050 PolarHBondContact O-N 2.83Å
1047A94.2Very high92.8Very high25 Ų2587.7 Ų87.721%0.20743%0.427CS..THydrogen-bonded Turntrans-84.821161.700000112.8K145 V146 E1043 K1044 S1045K145-A1047 VanDerWaalsContact CB-C 3.41Å; K145-A1047 WeakPolarHBondContact CB-O 3.22Å; K145-A1047 HydrophobicContact CD-CB 3.68Å; K145-A1047 WeakPolarHBondContact CD-O 3.31Å; K145-A1047 WeakPolarHBondContact CG-O 3.5Å; V146-A1047 CarbonylContact O-C 3.55Å; E1043-A1047 VanDerWaalsContact O-CA 3.27Å; E1043-A1047 WeakPolarHBondContact O-CA 3.46Å; E1043-A1047 WeakPolarHBondContact O-CB 3.37Å; E1043-A1047 PolarHBondContact O-N 2.84Å; K1044-A1047 CarbonylContact O-C 3.51Å; K1044-A1047 VanDerWaalsContact O-C 3.25Å; S1045-A1047 VanDerWaalsContact C-N 3.31Å
1048S90.5Very high92.8Very high40 Ų4088.4 Ų88.428%0.2843%0.427SS..THydrogen-bonded Turntrans-108.64.5144.6-162.20000112.4K145 V146 A147 K1044 S1045 E1046K145-S1048 CarbonylContact C-O 3.56Å; K145-S1048 PolarHBondContact N-O 2.85Å; K145-S1048 CarbonylContact O-C 3.6Å; K145-S1048 WeakPolarHBondContact O-CA 3.32Å; K145-S1048 PolarHBondContact O-OG 3.27Å; V146-S1048 WeakPolarHBondContact O-CA 3.25Å; V146-S1048 VanDerWaalsContact O-CB 3.27Å; V146-S1048 WeakPolarHBondContact O-CB 3.43Å; V146-S1048 PolarHBondContact O-N 2.91Å; V146-S1048 PolarHBondContact O-OG 2.9Å; A147-S1048 VanDerWaalsContact CB-CB 3.45Å; A147-S1048 WeakPolarHBondContact CB-OG 3.36Å; K1044-S1048 PolarHBondContact O-N 2.86Å; S1045-S1048 CarbonylContact O-C 3.58Å; S1045-S1048 WeakPolarHBondContact O-CA 3.32Å; S1045-S1048 WeakPolarHBondContact O-CB 3.38Å; S1045-S1048 PolarHBondContact O-N 2.82Å; E1046-S1048 PolarHBondContact O-N 2.89Å
1049R92.6Very high92.6Very high165 Ų16589.2 Ų89.262%0.62343%0.428SS*.SBendtrans-131.547.4176.3-143.6170.3168.7167.1-5108.3K144 K145 S1045 E1046K144-R1049 VanDerWaalsContact CA-C 3.49Å; K144-R1049 HydrophobicContact CB-CG 4.2Å; K144-R1049 WeakPolarHBondContact CB-O 3.37Å; K144-R1049 HydrophobicContact CD-CG 4.28Å; K144-R1049 WeakPolarHBondContact CD-O 3.31Å; K144-R1049 WeakPolarHBondContact CE-O 3.45Å; K144-R1049 VanDerWaalsContact CG-C 3.44Å; K144-R1049 WeakPolarHBondContact CG-O 3.39Å; K144-R1049 PolarHBondContact NZ-O 2.82Å; K144-R1049 VanDerWaalsContact O-CA 3.32Å; K144-R1049 WeakPolarHBondContact O-CA 3.45Å; K145-R1049 VanDerWaalsContact N-CA 3.34Å; S1045-R1049 PolarHBondContact O-N 2.89Å; E1046-R1049 VanDerWaalsContact C-N 3.34Å; E1046-R1049 CarbonylContact O-C 3.58Å; E1046-R1049 WeakPolarHBondContact O-CA 3.36Å; E1046-R1049 PolarHBondContact O-N 2.96Å
1050Q92.1Very high92.5Very high76 Ų7685.6 Ų85.636%0.35542%0.423SS..SBendtrans-144.92.2175.7-79.9-152.8-3600123.5E143 K144 K145 E1046E143-Q1050 WeakPolarHBondContact CA-O 3.43Å; E143-Q1050 HydrophobicContact CG-CB 4.15Å; E143-Q1050 HydrophobicContact CG-CG 4.05Å; E143-Q1050 VanDerWaalsContact CG-O 3.25Å; E143-Q1050 WeakPolarHBondContact CG-O 3.41Å; E143-Q1050 WeakPolarHBondContact OE1-CG 3.38Å; E143-Q1050 PolarHBondContact OE1-NE2 2.88Å; K144-Q1050 PolarHBondContact N-O 3.5Å; K145-Q1050 VanDerWaalsContact CB-C 3.41Å; K145-Q1050 VanDerWaalsContact CB-CA 3.48Å; K145-Q1050 HydrophobicContact CB-CB 3.88Å; K145-Q1050 HydrophobicContact CD-CB 3.63Å; K145-Q1050 HydrophobicContact CG-CB 3.83Å; E1046-Q1050 WeakPolarHBondContact O-CG 3.49Å; E1046-Q1050 PolarHBondContact O-N 2.83Å
1051E88.3Confident92.4Very high59 Ų5988 Ų8828%0.27643%0.432SS..SBendtrans-142.1-29.3160.8151.9-70.2144.800117K144 K145 V146 Q1053 Q1054 R1055K144-E1051 VanDerWaalsContact C-C 3.46Å; K145-E1051 VanDerWaalsContact CA-CA 3.43Å; K145-E1051 VanDerWaalsContact CA-OE2 3.24Å; K145-E1051 WeakPolarHBondContact CA-OE2 3.4Å; K145-E1051 HydrophobicContact CB-CB 4.19Å; K145-E1051 HydrophobicContact CG-CB 3.6Å; V146-E1051 PolarHBondContact N-OE2 2.86Å; E1051-Q1053 PolarHBondContact O-N 2.95Å; E1051-Q1054 HydrophobicContact CB-CB 4.39Å; E1051-Q1054 CarbonylContact O-C 3.59Å; E1051-Q1054 VanDerWaalsContact O-C 3.27Å; E1051-Q1054 WeakPolarHBondContact O-CA 3.33Å; E1051-Q1054 WeakPolarHBondContact O-CB 3.31Å; E1051-Q1054 PolarHBondContact O-N 2.91Å; E1051-R1055 PolarHBondContact O-N 3.12Å
1052E89.4Confident92.2Very high70 Ų7086.4 Ų86.433%0.32743%0.431SS..Hα-helixtrans-57.6-44-180-172.3-98.334.600115.3K144 Q1054 R1055 K1056K144-E1052 WeakPolarHBondContact O-CB 3.33Å; K144-E1052 PolarHBondContact O-N 2.96Å; E1052-Q1054 PolarHBondContact O-N 2.86Å; E1052-R1055 CarbonylContact O-C 3.56Å; E1052-R1055 WeakPolarHBondContact O-CA 3.41Å; E1052-R1055 VanDerWaalsContact O-CB 3.28Å; E1052-R1055 WeakPolarHBondContact O-CB 3.38Å; E1052-R1055 PolarHBondContact O-N 2.78Å; E1052-K1056 PolarHBondContact O-N 2.95Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1056 IonicContact OE1-NZ 3.74Å; E1052-K1056 PolarHBondContact OE1-NZ 2.9Å; E1052-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E1052-K1056 IonicContact OE2-NZ 2.57Å; E1052-K1056 PolarHBondContact OE2-NZ 3.14Å
1053Q93.6Very high92Very high84 Ų8485.7 Ų85.739%0.39343%0.433SS..Hα-helixtrans-63.7-20.4164.8-53.6171.7-2.700112.9K142 E143 K144 E1051 A1057K142-Q1053 CarbonylContact O-C 3.3Å; E143-Q1053 CarbonylContact O-C 3.52Å; E143-Q1053 VanDerWaalsContact O-CB 3.27Å; E143-Q1053 WeakPolarHBondContact O-CB 3.38Å; K144-Q1053 VanDerWaalsContact CA-N 3.35Å; K144-Q1053 HydrophobicContact CB-CB 3.83Å; K144-Q1053 HydrophobicContact CB-CG 3.75Å; K144-Q1053 PolarHBondContact O-N 2.9Å; E1051-Q1053 PolarHBondContact O-N 2.95Å; Q1053-A1057 VanDerWaalsContact O-CB 3.3Å; Q1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Q1053-A1057 PolarHBondContact O-N 2.9Å
1054Q92Very high91.8Very high83 Ų8384.6 Ų84.639%0.38843%0.433SS..Hα-helixtrans-73.1-38.6166.4-159.7-176.1-32.300111.1K142 E143 E1051 E1052 A1057 L1058K142-Q1054 WeakPolarHBondContact O-CA 3.34Å; K142-Q1054 WeakPolarHBondContact O-CB 3.38Å; K142-Q1054 PolarHBondContact O-N 2.85Å; K142-Q1054 VanDerWaalsContact O-N 3.12Å; E143-Q1054 PolarHBondContact O-N 3.04Å; E1051-Q1054 HydrophobicContact CB-CB 4.39Å; E1051-Q1054 CarbonylContact O-C 3.59Å; E1051-Q1054 VanDerWaalsContact O-C 3.27Å; E1051-Q1054 WeakPolarHBondContact O-CA 3.33Å; E1051-Q1054 WeakPolarHBondContact O-CB 3.31Å; E1051-Q1054 PolarHBondContact O-N 2.91Å; E1052-Q1054 PolarHBondContact O-N 2.86Å; Q1054-A1057 CarbonylContact O-C 3.56Å; Q1054-A1057 PolarHBondContact O-N 3.47Å; Q1054-L1058 HydrophobicContact CG-CD1 4.41Å; Q1054-L1058 VanDerWaalsContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.36Å; Q1054-L1058 PolarHBondContact O-N 2.97Å
1055R90Very high91.7Very high158 Ų15886.1 Ų86.160%0.59644%0.44SS*.Hα-helixtrans-61.3-44.8168.5175.9-179170.2-176.5-2.3110E1051 E1052 A1057 L1058 E1059E1051-R1055 PolarHBondContact O-N 3.12Å; E1052-R1055 CarbonylContact O-C 3.56Å; E1052-R1055 WeakPolarHBondContact O-CA 3.41Å; E1052-R1055 VanDerWaalsContact O-CB 3.28Å; E1052-R1055 WeakPolarHBondContact O-CB 3.38Å; E1052-R1055 PolarHBondContact O-N 2.78Å; R1055-A1057 VanDerWaalsContact C-N 3.35Å; R1055-A1057 PolarHBondContact O-N 3.26Å; R1055-L1058 CarbonylContact O-C 3.52Å; R1055-L1058 PolarHBondContact O-N 3.11Å; R1055-E1059 WeakPolarHBondContact O-CB 3.4Å; R1055-E1059 PolarHBondContact O-N 3.26Å
1056K93.6Very high91.6Very high110 Ų11089.4 Ų89.448%0.47845%0.448SS..Hα-helixtrans-62.6-37171.3-69.7175.2178.1140.10112.7E1052 A1060E1052-K1056 PolarHBondContact O-N 2.95Å; E1052-K1056 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1056 IonicContact OE1-NZ 3.74Å; E1052-K1056 PolarHBondContact OE1-NZ 2.9Å; E1052-K1056 WeakPolarHBondContact OE2-CE 3.35Å; E1052-K1056 IonicContact OE2-NZ 2.57Å; E1052-K1056 PolarHBondContact OE2-NZ 3.14Å; K1056-A1060 VanDerWaalsContact O-CB 3.25Å; K1056-A1060 WeakPolarHBondContact O-CB 3.49Å; K1056-A1060 PolarHBondContact O-N 2.94Å
1057A92.4Very high91.6Very high29 Ų2990.6 Ų90.624%0.2445%0.452CS..Hα-helixtrans-70.7-34.8175.200000112.6Q1053 Q1054 R1055 K1061Q1053-A1057 VanDerWaalsContact O-CB 3.3Å; Q1053-A1057 WeakPolarHBondContact O-CB 3.49Å; Q1053-A1057 PolarHBondContact O-N 2.9Å; Q1054-A1057 CarbonylContact O-C 3.56Å; Q1054-A1057 PolarHBondContact O-N 3.47Å; R1055-A1057 VanDerWaalsContact C-N 3.35Å; R1055-A1057 PolarHBondContact O-N 3.26Å; A1057-K1061 WeakPolarHBondContact O-CB 3.43Å; A1057-K1061 WeakPolarHBondContact O-CG 3.27Å; A1057-K1061 PolarHBondContact O-N 2.95Å
1058L92.5Very high91.5Very high104 Ų10494.5 Ų94.555%0.54547%0.466SS..Hα-helixtrans-73.9-36.2173.9-72.9168.3000111.6Q1054 R1055 K1061 A1062Q1054-L1058 HydrophobicContact CG-CD1 4.41Å; Q1054-L1058 VanDerWaalsContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CB 3.29Å; Q1054-L1058 WeakPolarHBondContact O-CG 3.36Å; Q1054-L1058 PolarHBondContact O-N 2.97Å; R1055-L1058 CarbonylContact O-C 3.52Å; R1055-L1058 PolarHBondContact O-N 3.11Å; L1058-K1061 PolarHBondContact O-N 3.44Å; L1058-A1062 WeakPolarHBondContact O-CB 3.25Å; L1058-A1062 PolarHBondContact O-N 3.28Å
1059E90.6Very high91.5Very high117 Ų11796.9 Ų96.955%0.54748%0.479SS..Hα-helixtrans-69-41.5174.6-175.9167.6-143.400110.9R1055 A1062 A1063R1055-E1059 WeakPolarHBondContact O-CB 3.4Å; R1055-E1059 PolarHBondContact O-N 3.26Å; E1059-A1062 PolarHBondContact O-N 2.93Å; E1059-A1063 WeakPolarHBondContact O-CB 3.37Å; E1059-A1063 PolarHBondContact O-N 2.89Å
1060A93.2Very high91.5Very high57 Ų5793.8 Ų93.847%0.47147%0.474SS..Hα-helixtrans-61.8-42.2169.300000112K1056 A1063 T1064K1056-A1060 VanDerWaalsContact O-CB 3.25Å; K1056-A1060 WeakPolarHBondContact O-CB 3.49Å; K1056-A1060 PolarHBondContact O-N 2.94Å; A1060-A1063 PolarHBondContact O-N 3.31Å; A1060-T1064 PolarHBondContact O-N 2.84Å; A1060-T1064 PolarHBondContact O-OG1 3.44Å
1061K93.3Very high91.5Very high129 Ų12996.7 Ų96.756%0.56149%0.487SS*.Hα-helixtrans-63.1-43.8172.9-79.4-178.9175.2-166.40112.1A1057 L1058 A1063 T1064 F1065A1057-K1061 WeakPolarHBondContact O-CB 3.43Å; A1057-K1061 WeakPolarHBondContact O-CG 3.27Å; A1057-K1061 PolarHBondContact O-N 2.95Å; L1058-K1061 PolarHBondContact O-N 3.44Å; K1061-A1063 VanDerWaalsContact C-N 3.34Å; K1061-A1063 PolarHBondContact O-N 3.34Å; K1061-T1064 WeakPolarHBondContact CA-OG1 3.23Å; K1061-T1064 PolarHBondContact O-N 3.05Å; K1061-T1064 VanDerWaalsContact O-N 3.15Å; K1061-T1064 PolarHBondContact O-OG1 2.92Å; K1061-F1065 HydrophobicContact CB-CE2 4.46Å; K1061-F1065 WeakPolarHBondContact O-CD2 3.4Å; K1061-F1065 PolarHBondContact O-N 3.05Å
1062A87.7Confident91.6Very high53 Ų5399.9 Ų99.944%0.43851%0.505SS..Hα-helixtrans-59.7-45176.100000111L1058 E1059 T1064 F1065 E1066L1058-A1062 WeakPolarHBondContact O-CB 3.25Å; L1058-A1062 PolarHBondContact O-N 3.28Å; E1059-A1062 PolarHBondContact O-N 2.93Å; A1062-T1064 VanDerWaalsContact C-N 3.33Å; A1062-T1064 PolarHBondContact O-N 3.29Å; A1062-F1065 PolarHBondContact O-N 2.84Å; A1062-E1066 WeakPolarHBondContact O-CB 3.42Å; A1062-E1066 PolarHBondContact O-N 3.05Å
1063A92.6Very high91.6Very high54 Ų54102.5 Ų102.545%0.44652%0.518SS..Hα-helixtrans-62.3-35.8174.500000112.9E1059 A1060 K1061 K1067E1059-A1063 WeakPolarHBondContact O-CB 3.37Å; E1059-A1063 PolarHBondContact O-N 2.89Å; A1060-A1063 PolarHBondContact O-N 3.31Å; K1061-A1063 VanDerWaalsContact C-N 3.34Å; K1061-A1063 PolarHBondContact O-N 3.34Å; A1063-K1067 WeakPolarHBondContact O-CB 3.43Å; A1063-K1067 PolarHBondContact O-N 3.32Å
1064T90.7Very high91.5Very high80 Ų80100.6 Ų100.649%0.49152%0.516SS..Hα-helixtrans-68.8-38.8172.950.90000113.1A1060 K1061 A1062 K1067 Q1068A1060-T1064 PolarHBondContact O-N 2.84Å; A1060-T1064 PolarHBondContact O-OG1 3.44Å; K1061-T1064 WeakPolarHBondContact CA-OG1 3.23Å; K1061-T1064 PolarHBondContact O-N 3.05Å; K1061-T1064 VanDerWaalsContact O-N 3.15Å; K1061-T1064 PolarHBondContact O-OG1 2.92Å; A1062-T1064 VanDerWaalsContact C-N 3.33Å; A1062-T1064 PolarHBondContact O-N 3.29Å; T1064-K1067 PolarHBondContact O-N 2.89Å; T1064-Q1068 WeakPolarHBondContact O-CG 2.91Å; T1064-Q1068 PolarHBondContact O-N 2.8Å
1065F92.1Very high91.4Very high127 Ų12799.9 Ų99.956%0.55752%0.521SS*.Hα-helixtrans-69.5-39.6174.2-71-56.6000112K1061 A1062 K1067 Q1068 V1069K1061-F1065 HydrophobicContact CB-CE2 4.46Å; K1061-F1065 WeakPolarHBondContact O-CD2 3.4Å; K1061-F1065 PolarHBondContact O-N 3.05Å; A1062-F1065 PolarHBondContact O-N 2.84Å; F1065-K1067 VanDerWaalsContact C-N 3.32Å; F1065-K1067 PolarHBondContact O-N 2.89Å; F1065-Q1068 PolarHBondContact O-N 2.71Å; F1065-Q1068 VanDerWaalsContact O-N 3.17Å; F1065-V1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-V1069 PolarHBondContact O-N 2.91Å
1066E88.2Confident91.4Very high130 Ų13097.7 Ų97.761%0.60752%0.517SS*.Hα-helixtrans-60.5-42.2173.6-174.6173-157.700110.9A1062 Q1068 V1069 L1070A1062-E1066 WeakPolarHBondContact O-CB 3.42Å; A1062-E1066 PolarHBondContact O-N 3.05Å; E1066-Q1068 PolarHBondContact O-N 2.71Å; E1066-V1069 PolarHBondContact O-N 2.98Å; E1066-L1070 HydrophobicContact CG-CD1 4.21Å; E1066-L1070 WeakPolarHBondContact O-CB 3.22Å; E1066-L1070 VanDerWaalsContact O-CG 3.28Å; E1066-L1070 WeakPolarHBondContact O-CG 3.46Å; E1066-L1070 PolarHBondContact O-N 3.12Å
1067K93.7Very high91.3Very high152 Ų15297.4 Ų97.466%0.66152%0.516SS*.Hα-helixtrans-61.7-42.1172.7-172.6-180177.7-1750112.5A1063 T1064 F1065 L1070 Q1071A1063-K1067 WeakPolarHBondContact O-CB 3.43Å; A1063-K1067 PolarHBondContact O-N 3.32Å; T1064-K1067 PolarHBondContact O-N 2.89Å; F1065-K1067 VanDerWaalsContact C-N 3.32Å; F1065-K1067 PolarHBondContact O-N 2.89Å; K1067-L1070 PolarHBondContact O-N 2.87Å; K1067-Q1071 WeakPolarHBondContact O-CB 3.47Å; K1067-Q1071 PolarHBondContact O-N 3.01Å
1068Q92.4Very high91.2Very high108 Ų108102.1 Ų102.151%0.50553%0.533SS..Hα-helixtrans-64.4-43.3175.2-75.4177.3-13.700111.9T1064 F1065 E1066 L1070 Q1071 L1072T1064-Q1068 WeakPolarHBondContact O-CG 2.91Å; T1064-Q1068 PolarHBondContact O-N 2.8Å; F1065-Q1068 PolarHBondContact O-N 2.71Å; F1065-Q1068 VanDerWaalsContact O-N 3.17Å; E1066-Q1068 PolarHBondContact O-N 2.71Å; Q1068-L1070 PolarHBondContact O-N 2.96Å; Q1068-Q1071 PolarHBondContact O-N 2.95Å; Q1068-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1068-L1072 WeakPolarHBondContact O-CG 3.05Å; Q1068-L1072 PolarHBondContact O-N 3.05Å
1069V89.6Confident90.9Very high90 Ų90100 Ų10055%0.54553%0.526SS..Hα-helixtrans-62.7-41.8176.1169.90000111.1F1065 E1066 L1072 Q1073F1065-V1069 WeakPolarHBondContact O-CG2 3.24Å; F1065-V1069 PolarHBondContact O-N 2.91Å; E1066-V1069 PolarHBondContact O-N 2.98Å; V1069-L1072 PolarHBondContact O-N 2.94Å; V1069-Q1073 VanDerWaalsContact O-CB 3.22Å; V1069-Q1073 WeakPolarHBondContact O-CB 3.44Å; V1069-Q1073 PolarHBondContact O-N 3Å
1070L92.9Very high90.6Very high100 Ų10099.3 Ų99.352%0.52452%0.523SS..Hα-helixtrans-64.9-37.1174.7-72.7169.3000112.4E1066 K1067 Q1068 Q1073 A1074E1066-L1070 HydrophobicContact CG-CD1 4.21Å; E1066-L1070 WeakPolarHBondContact O-CB 3.22Å; E1066-L1070 VanDerWaalsContact O-CG 3.28Å; E1066-L1070 WeakPolarHBondContact O-CG 3.46Å; E1066-L1070 PolarHBondContact O-N 3.12Å; K1067-L1070 PolarHBondContact O-N 2.87Å; Q1068-L1070 PolarHBondContact O-N 2.96Å; L1070-Q1073 PolarHBondContact O-N 2.95Å; L1070-A1074 WeakPolarHBondContact O-CB 3.48Å; L1070-A1074 PolarHBondContact O-N 3.26Å
1071Q93Very high90.4Very high137 Ų137101.3 Ų101.364%0.6452%0.523SS*.Hα-helixtrans-68.3-44175.3-176.2174.6-500111.9K1067 Q1068 Q1073 A1074 S1075K1067-Q1071 WeakPolarHBondContact O-CB 3.47Å; K1067-Q1071 PolarHBondContact O-N 3.01Å; Q1068-Q1071 PolarHBondContact O-N 2.95Å; Q1071-Q1073 VanDerWaalsContact C-N 3.33Å; Q1071-A1074 PolarHBondContact O-N 3.13Å; Q1071-S1075 PolarHBondContact O-N 3.3Å
1072L90.4Very high90.2Very high125 Ų12598 Ų9865%0.65452%0.519SS*.Hα-helixtrans-64-38.7173.8-71.3169.9000111.5Q1068 V1069 S1075 H1076Q1068-L1072 WeakPolarHBondContact O-CB 3.43Å; Q1068-L1072 WeakPolarHBondContact O-CG 3.05Å; Q1068-L1072 PolarHBondContact O-N 3.05Å; V1069-L1072 PolarHBondContact O-N 2.94Å; L1072-S1075 PolarHBondContact O-N 2.86Å; L1072-H1076 VanDerWaalsContact O-CB 3.31Å; L1072-H1076 WeakPolarHBondContact O-CB 3.15Å; L1072-H1076 PolarHBondContact O-N 2.94Å
1073Q88.9Confident90.3Very high126 Ų126101 Ų10159%0.58953%0.528SS*.Hα-helixtrans-68.2-34.5175.9-172.617332.800112.4V1069 L1070 Q1071 K1077V1069-Q1073 VanDerWaalsContact O-CB 3.22Å; V1069-Q1073 WeakPolarHBondContact O-CB 3.44Å; V1069-Q1073 PolarHBondContact O-N 3Å; L1070-Q1073 PolarHBondContact O-N 2.95Å; Q1071-Q1073 VanDerWaalsContact C-N 3.33Å; Q1073-K1077 VanDerWaalsContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1073-K1077 PolarHBondContact O-N 3.08Å
1074A91.5Very high90Very high43 Ų43103 Ų10336%0.35553%0.527SS..Hα-helixtrans-65.4-49.1171.400000111.1L1070 Q1071 H1076 K1077 E1078L1070-A1074 WeakPolarHBondContact O-CB 3.48Å; L1070-A1074 PolarHBondContact O-N 3.26Å; Q1071-A1074 PolarHBondContact O-N 3.13Å; A1074-H1076 PolarHBondContact O-N 2.94Å; A1074-K1077 WeakPolarHBondContact O-CB 3.31Å; A1074-K1077 PolarHBondContact O-N 2.97Å; A1074-K1077 VanDerWaalsContact O-N 3.11Å; A1074-E1078 WeakPolarHBondContact O-CG 3.42Å; A1074-E1078 PolarHBondContact O-N 3Å
1075S90.7Very high90.1Very high69 Ų69105.8 Ų105.848%0.48353%0.533SS..Hα-helixtrans-61.8-41178.2-178.80000112.9Q1071 L1072 K1077 E1078 S1079Q1071-S1075 PolarHBondContact O-N 3.3Å; L1072-S1075 PolarHBondContact O-N 2.86Å; S1075-K1077 VanDerWaalsContact C-N 3.34Å; S1075-K1077 PolarHBondContact O-N 3.14Å; S1075-E1078 PolarHBondContact O-N 3.29Å; S1075-S1079 PolarHBondContact O-N 2.96Å; S1075-S1079 PolarHBondContact O-OG 2.97Å
1076H89.3Confident90Very high111 Ų111108 Ų10851%0.51454%0.537SS..Hα-helixtrans-61.7-41.5172.7-173.3-72.8000111.8L1072 A1074 E1078 S1079 E1080L1072-H1076 VanDerWaalsContact O-CB 3.31Å; L1072-H1076 WeakPolarHBondContact O-CB 3.15Å; L1072-H1076 PolarHBondContact O-N 2.94Å; A1074-H1076 PolarHBondContact O-N 2.94Å; H1076-E1078 VanDerWaalsContact C-N 3.35Å; H1076-S1079 PolarHBondContact O-N 2.93Å; H1076-S1079 PolarHBondContact O-OG 3.14Å; H1076-E1080 IonicContact CE1-OE1 3.18Å; H1076-E1080 PolarHBondContact CE1-OE1 3.05Å; H1076-E1080 IonicContact CE1-OE2 3.62Å; H1076-E1080 PolarHBondContact CE1-OE2 2.88Å; H1076-E1080 IonicContact ND1-OE1 2.83Å; H1076-E1080 IonicContact ND1-OE2 2.7Å; H1076-E1080 PolarHBondContact ND1-OE2 2.86Å; H1076-E1080 WeakPolarHBondContact O-CB 3.07Å; H1076-E1080 WeakPolarHBondContact O-CG 3.07Å; H1076-E1080 PolarHBondContact O-N 3.25Å
1077K91.5Very high90.2Very high105 Ų105106.5 Ų106.546%0.45753%0.533SS..Hα-helixtrans-69.1-34177.8-176.2-179.9165.6-67.30112.1Q1073 A1074 S1075 E1081Q1073-K1077 VanDerWaalsContact O-CB 3.26Å; Q1073-K1077 WeakPolarHBondContact O-CB 3.33Å; Q1073-K1077 PolarHBondContact O-N 3.08Å; A1074-K1077 WeakPolarHBondContact O-CB 3.31Å; A1074-K1077 PolarHBondContact O-N 2.97Å; A1074-K1077 VanDerWaalsContact O-N 3.11Å; S1075-K1077 VanDerWaalsContact C-N 3.34Å; S1075-K1077 PolarHBondContact O-N 3.14Å; K1077-E1081 WeakPolarHBondContact CE-OE1 3.23Å; K1077-E1081 IonicContact NZ-OE1 2.67Å; K1077-E1081 PolarHBondContact NZ-OE1 3.04Å; K1077-E1081 IonicContact NZ-OE2 2.71Å; K1077-E1081 WeakPolarHBondContact O-CB 2.88Å; K1077-E1081 WeakPolarHBondContact O-CG 3.34Å; K1077-E1081 PolarHBondContact O-N 3.48Å
1078E90.9Very high90Very high128 Ų128103.8 Ų103.860%0.59852%0.523SS*.Hα-helixtrans-68.4-39.2174.3-74.1166-173.200111.7A1074 S1075 H1076 E1081 A1082A1074-E1078 WeakPolarHBondContact O-CG 3.42Å; A1074-E1078 PolarHBondContact O-N 3Å; S1075-E1078 PolarHBondContact O-N 3.29Å; H1076-E1078 VanDerWaalsContact C-N 3.35Å; E1078-E1081 PolarHBondContact O-N 3.43Å; E1078-A1082 WeakPolarHBondContact O-CB 3.43Å; E1078-A1082 PolarHBondContact O-N 3.13Å
1079S84.9Confident90Very high58 Ų58102.3 Ų102.341%0.40652%0.516SS..Hα-helixtrans-72.3-36.917466.20000112.7S1075 H1076 A1082 L1083S1075-S1079 PolarHBondContact O-N 2.96Å; S1075-S1079 PolarHBondContact O-OG 2.97Å; H1076-S1079 PolarHBondContact O-N 2.93Å; H1076-S1079 PolarHBondContact O-OG 3.14Å; S1079-A1082 PolarHBondContact O-N 2.95Å; S1079-L1083 WeakPolarHBondContact O-CB 3.31Å; S1079-L1083 VanDerWaalsContact O-CG 3.31Å; S1079-L1083 WeakPolarHBondContact O-CG 3.48Å; S1079-L1083 PolarHBondContact O-N 2.93Å
1080E85.7Confident90.2Very high104 Ų104102 Ų10249%0.48651%0.514SS..Hα-helixtrans-58.6-46168.2-77.6175.4122.800111.6H1076 A1082 L1083 Q1084H1076-E1080 IonicContact CE1-OE1 3.18Å; H1076-E1080 PolarHBondContact CE1-OE1 3.05Å; H1076-E1080 IonicContact CE1-OE2 3.62Å; H1076-E1080 PolarHBondContact CE1-OE2 2.88Å; H1076-E1080 IonicContact ND1-OE1 2.83Å; H1076-E1080 IonicContact ND1-OE2 2.7Å; H1076-E1080 PolarHBondContact ND1-OE2 2.86Å; H1076-E1080 WeakPolarHBondContact O-CB 3.07Å; H1076-E1080 WeakPolarHBondContact O-CG 3.07Å; H1076-E1080 PolarHBondContact O-N 3.25Å; E1080-A1082 VanDerWaalsContact C-N 3.34Å; E1080-A1082 PolarHBondContact O-N 3.01Å; E1080-L1083 PolarHBondContact O-N 3.17Å; E1080-Q1084 VanDerWaalsContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.32Å; E1080-Q1084 PolarHBondContact O-N 3Å
1081E89.4Confident90Very high98 Ų98100.6 Ų100.646%0.45851%0.51SS..Hα-helixtrans-67.8-30.9177.7-77.5179.7-171.200113K1077 E1078 K1085K1077-E1081 WeakPolarHBondContact CE-OE1 3.23Å; K1077-E1081 IonicContact NZ-OE1 2.67Å; K1077-E1081 PolarHBondContact NZ-OE1 3.04Å; K1077-E1081 IonicContact NZ-OE2 2.71Å; K1077-E1081 WeakPolarHBondContact O-CB 2.88Å; K1077-E1081 WeakPolarHBondContact O-CG 3.34Å; K1077-E1081 PolarHBondContact O-N 3.48Å; E1078-E1081 PolarHBondContact O-N 3.43Å; E1081-K1085 WeakPolarHBondContact O-CG 3.49Å; E1081-K1085 PolarHBondContact O-N 3.37Å; E1081-K1085 VanDerWaalsContact O-N 3.14Å
1082A87.7Confident89.9Confident59 Ų5999.6 Ų99.649%0.48850%0.5SS..Hα-helixtrans-71.2-44.5172.800000112.3E1078 S1079 E1080 K1085 R1086E1078-A1082 WeakPolarHBondContact O-CB 3.43Å; E1078-A1082 PolarHBondContact O-N 3.13Å; S1079-A1082 PolarHBondContact O-N 2.95Å; E1080-A1082 VanDerWaalsContact C-N 3.34Å; E1080-A1082 PolarHBondContact O-N 3.01Å; A1082-K1085 PolarHBondContact O-N 3.04Å; A1082-R1086 PolarHBondContact O-N 3.19Å
1083L89.7Confident89.8Confident118 Ų11898.4 Ų98.462%0.61849%0.491SS*.Hα-helixtrans-63.9-41.7175.3-73.1170.3000111.4S1079 E1080 R1086 L1087S1079-L1083 WeakPolarHBondContact O-CB 3.31Å; S1079-L1083 VanDerWaalsContact O-CG 3.31Å; S1079-L1083 WeakPolarHBondContact O-CG 3.48Å; S1079-L1083 PolarHBondContact O-N 2.93Å; E1080-L1083 PolarHBondContact O-N 3.17Å; L1083-R1086 PolarHBondContact O-N 2.69Å; L1083-L1087 WeakPolarHBondContact O-CB 3.37Å; L1083-L1087 PolarHBondContact O-N 2.94Å
1084Q86.5Confident90Very high94 Ų9497 Ų9744%0.43949%0.487SS..Hα-helixtrans-60.6-45.2175.6179.358.733.500111.7E1080 R1086 L1087 E1088E1080-Q1084 VanDerWaalsContact O-CB 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.32Å; E1080-Q1084 PolarHBondContact O-N 3Å; Q1084-R1086 VanDerWaalsContact C-N 3.32Å; Q1084-R1086 PolarHBondContact O-N 2.77Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; Q1084-E1088 WeakPolarHBondContact CG-OE1 3.23Å; Q1084-E1088 PolarHBondContact NE2-OE1 3.37Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-E1088 PolarHBondContact O-N 3.09Å
1085K93.1Very high90Very high139 Ų13998 Ų9860%0.60449%0.491SS*.Hα-helixtrans-59.9-40.6173.4-79.4173.9179.3172.20112.7E1081 A1082 E1088 E1089E1081-K1085 WeakPolarHBondContact O-CG 3.49Å; E1081-K1085 PolarHBondContact O-N 3.37Å; E1081-K1085 VanDerWaalsContact O-N 3.14Å; A1082-K1085 PolarHBondContact O-N 3.04Å; K1085-E1088 PolarHBondContact O-N 3.04Å; K1085-E1089 PolarHBondContact O-N 3.27Å
1086R90.4Very high90Very high173 Ų173101.7 Ų101.765%0.65349%0.494SS*.Hα-helixtrans-70.2-33.5178.6-164.8169.2-177.780.7-2.7112A1082 L1083 Q1084 E1089 V1090A1082-R1086 PolarHBondContact O-N 3.19Å; L1083-R1086 PolarHBondContact O-N 2.69Å; Q1084-R1086 VanDerWaalsContact C-N 3.32Å; Q1084-R1086 PolarHBondContact O-N 2.77Å; R1086-E1089 WeakPolarHBondContact O-CB 3.25Å; R1086-E1089 PolarHBondContact O-N 3.26Å; R1086-V1090 WeakPolarHBondContact O-CG2 3.48Å; R1086-V1090 PolarHBondContact O-N 2.7Å
1087L91.4Very high90Very high100 Ų10099.1 Ų99.152%0.52449%0.493SS..Hα-helixtrans-67.1-41.3170.9-178.761.2000111.5L1083 Q1084 E1089 V1090 T1091L1083-L1087 WeakPolarHBondContact O-CB 3.37Å; L1083-L1087 PolarHBondContact O-N 2.94Å; Q1084-L1087 PolarHBondContact O-N 2.93Å; L1087-E1089 VanDerWaalsContact C-N 3.28Å; L1087-E1089 PolarHBondContact O-N 2.88Å; L1087-V1090 PolarHBondContact O-N 3.23Å; L1087-T1091 VanDerWaalsContact O-CB 3.29Å; L1087-T1091 WeakPolarHBondContact O-CB 3.48Å; L1087-T1091 PolarHBondContact O-N 2.91Å; L1087-T1091 PolarHBondContact O-OG1 3.44Å
1088E90.8Very high89.8Confident94 Ų9499.8 Ų99.844%0.43950%0.497SS..Hα-helixtrans-64.6-31.5172.6-73.1168.8-159.600112.5Q1084 K1085 R1092Q1084-E1088 WeakPolarHBondContact CG-OE1 3.23Å; Q1084-E1088 PolarHBondContact NE2-OE1 3.37Å; Q1084-E1088 WeakPolarHBondContact O-CG 3.29Å; Q1084-E1088 PolarHBondContact O-N 3.09Å; K1085-E1088 PolarHBondContact O-N 3.04Å; E1088-R1092 WeakPolarHBondContact O-CB 3.26Å; E1088-R1092 VanDerWaalsContact O-CG 3.28Å; E1088-R1092 WeakPolarHBondContact O-CG 3.38Å; E1088-R1092 PolarHBondContact O-N 2.87Å; E1088-R1092 PolarHBondContact O-NE 2.98Å; E1088-R1092 VanDerWaalsContact O-NE 3.13Å
1089E91.2Very high89.8Confident78 Ų7897.6 Ų97.636%0.36449%0.493SS..Hα-helixtrans-65.2-56.6171.8-162.3112.3-9200112K1085 R1086 L1087 T1091 R1092 E1093K1085-E1089 PolarHBondContact O-N 3.27Å; R1086-E1089 WeakPolarHBondContact O-CB 3.25Å; R1086-E1089 PolarHBondContact O-N 3.26Å; L1087-E1089 VanDerWaalsContact C-N 3.28Å; L1087-E1089 PolarHBondContact O-N 2.88Å; E1089-T1091 PolarHBondContact O-N 3.31Å; E1089-R1092 VanDerWaalsContact CA-NH2 3.27Å; E1089-R1092 CarbonylContact O-C 3.58Å; E1089-R1092 WeakPolarHBondContact O-CA 3.06Å; E1089-R1092 WeakPolarHBondContact O-CB 3.21Å; E1089-R1092 PolarHBondContact O-N 3.23Å; E1089-R1092 IonicContact OE1-CZ 3.89Å; E1089-R1092 IonicContact OE1-NH1 3.35Å; E1089-R1092 PolarHBondContact OE1-NH1 3Å; E1089-R1092 IonicContact OE1-NH2 2.88Å; E1089-R1092 PolarHBondContact OE1-NH2 2.93Å; E1089-E1093 WeakPolarHBondContact O-CG 3.32Å; E1089-E1093 PolarHBondContact O-N 3.09Å
1090V93.3Very high90.1Very high82 Ų8298.2 Ų98.250%0.49750%0.497SS..Hα-helixtrans-58.5-36.6176.8172.10000110.9R1086 L1087 E1093 L1094R1086-V1090 WeakPolarHBondContact O-CG2 3.48Å; R1086-V1090 PolarHBondContact O-N 2.7Å; L1087-V1090 PolarHBondContact O-N 3.23Å; V1090-E1093 PolarHBondContact O-N 3.3Å; V1090-L1094 VanDerWaalsContact O-CB 3.3Å; V1090-L1094 WeakPolarHBondContact O-CB 3.37Å; V1090-L1094 PolarHBondContact O-N 3.02Å
1091T89.9Confident90.2Very high72 Ų7298.8 Ų98.844%0.44250%0.5SS..Hα-helixtrans-66.1-42.6174.7-56.20000111.9L1087 E1089 E1093 C1095L1087-T1091 VanDerWaalsContact O-CB 3.29Å; L1087-T1091 WeakPolarHBondContact O-CB 3.48Å; L1087-T1091 PolarHBondContact O-N 2.91Å; L1087-T1091 PolarHBondContact O-OG1 3.44Å; E1089-T1091 PolarHBondContact O-N 3.31Å; T1091-E1093 VanDerWaalsContact C-N 3.3Å; T1091-E1093 PolarHBondContact O-N 3.48Å; T1091-C1095 WeakPolarHBondContact O-CB 3.41Å; T1091-C1095 PolarHBondContact O-N 2.83Å; T1091-C1095 PolarHBondContact O-SG 3.11Å
1092R90.7Very high90.2Very high116 Ų11696.9 Ų96.944%0.43850%0.5SS..Hα-helixtrans-65.4-31.3173.8-78.7178-74.4114.6-9.7112.6E1088 E1089 R1096E1088-R1092 WeakPolarHBondContact O-CB 3.26Å; E1088-R1092 VanDerWaalsContact O-CG 3.28Å; E1088-R1092 WeakPolarHBondContact O-CG 3.38Å; E1088-R1092 PolarHBondContact O-N 2.87Å; E1088-R1092 PolarHBondContact O-NE 2.98Å; E1088-R1092 VanDerWaalsContact O-NE 3.13Å; E1089-R1092 VanDerWaalsContact CA-NH2 3.27Å; E1089-R1092 CarbonylContact O-C 3.58Å; E1089-R1092 WeakPolarHBondContact O-CA 3.06Å; E1089-R1092 WeakPolarHBondContact O-CB 3.21Å; E1089-R1092 PolarHBondContact O-N 3.23Å; E1089-R1092 IonicContact OE1-CZ 3.89Å; E1089-R1092 IonicContact OE1-NH1 3.35Å; E1089-R1092 PolarHBondContact OE1-NH1 3Å; E1089-R1092 IonicContact OE1-NH2 2.88Å; E1089-R1092 PolarHBondContact OE1-NH2 2.93Å; R1092-R1096 VanDerWaalsContact O-CG 3.29Å; R1092-R1096 WeakPolarHBondContact O-CG 3.4Å; R1092-R1096 PolarHBondContact O-N 2.95Å; R1092-R1096 PolarHBondContact O-NE 3.14Å
1093E88.7Confident90.4Very high99 Ų9998.6 Ų98.646%0.46350%0.501SS..Hα-helixtrans-76-45.2176.7-73.2173.5175.700111.3E1089 V1090 T1091 C1095 R1096 A1097E1089-E1093 WeakPolarHBondContact O-CG 3.32Å; E1089-E1093 PolarHBondContact O-N 3.09Å; V1090-E1093 PolarHBondContact O-N 3.3Å; T1091-E1093 VanDerWaalsContact C-N 3.3Å; T1091-E1093 PolarHBondContact O-N 3.48Å; E1093-C1095 VanDerWaalsContact C-N 3.33Å; E1093-C1095 PolarHBondContact O-N 2.92Å; E1093-R1096 PolarHBondContact O-N 2.83Å; E1093-R1096 VanDerWaalsContact O-N 3.09Å; E1093-R1096 IonicContact OE1-NH2 3.47Å; E1093-A1097 WeakPolarHBondContact O-CB 3.42Å; E1093-A1097 PolarHBondContact O-N 3.06Å
1094L91.7Very high90.5Very high97 Ų9798.9 Ų98.951%0.50850%0.503SS..Hα-helixtrans-58-43.4172.5-178.361.2000111.7V1090 R1096 A1097 Q1098V1090-L1094 VanDerWaalsContact O-CB 3.3Å; V1090-L1094 WeakPolarHBondContact O-CB 3.37Å; V1090-L1094 PolarHBondContact O-N 3.02Å; L1094-R1096 VanDerWaalsContact C-N 3.33Å; L1094-R1096 PolarHBondContact O-N 3Å; L1094-A1097 PolarHBondContact O-N 2.87Å; L1094-Q1098 HydrophobicContact CD1-CG 4.25Å; L1094-Q1098 HydrophobicContact CG-CG 4.49Å; L1094-Q1098 WeakPolarHBondContact O-CB 3.32Å; L1094-Q1098 VanDerWaalsContact O-CG 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.42Å; L1094-Q1098 PolarHBondContact O-N 3.37Å
1095C91.6Very high90.7Very high64 Ų64102.5 Ų102.543%0.43251%0.513SS..Hα-helixtrans-63.4-37.8175.3-680000112.4T1091 E1093 T1099T1091-C1095 WeakPolarHBondContact O-CB 3.41Å; T1091-C1095 PolarHBondContact O-N 2.83Å; T1091-C1095 PolarHBondContact O-SG 3.11Å; E1093-C1095 VanDerWaalsContact C-N 3.33Å; E1093-C1095 PolarHBondContact O-N 2.92Å; C1095-T1099 WeakPolarHBondContact O-CB 3.44Å; C1095-T1099 PolarHBondContact O-N 2.98Å; C1095-T1099 PolarHBondContact O-OG1 2.88Å
1096R91.2Very high90.6Very high146 Ų14697.6 Ų97.655%0.55150%0.498SS*.Hα-helixtrans-68.2-43.6175.2-77.7179.3-74.4175.12.5111.5R1092 E1093 L1094 T1099 S1100R1092-R1096 VanDerWaalsContact O-CG 3.29Å; R1092-R1096 WeakPolarHBondContact O-CG 3.4Å; R1092-R1096 PolarHBondContact O-N 2.95Å; R1092-R1096 PolarHBondContact O-NE 3.14Å; E1093-R1096 PolarHBondContact O-N 2.83Å; E1093-R1096 VanDerWaalsContact O-N 3.09Å; E1093-R1096 IonicContact OE1-NH2 3.47Å; L1094-R1096 VanDerWaalsContact C-N 3.33Å; L1094-R1096 PolarHBondContact O-N 3Å; R1096-T1099 PolarHBondContact O-N 2.65Å; R1096-S1100 WeakPolarHBondContact O-CB 3.4Å; R1096-S1100 PolarHBondContact O-N 2.98Å
1097A90.3Very high90.6Very high58 Ų5893.2 Ų93.248%0.47949%0.487SS..Hα-helixtrans-63.1-44.6175.600000112.2E1093 L1094 T1099 S1100 H1101E1093-A1097 WeakPolarHBondContact O-CB 3.42Å; E1093-A1097 PolarHBondContact O-N 3.06Å; L1094-A1097 PolarHBondContact O-N 2.87Å; A1097-T1099 PolarHBondContact O-N 2.99Å; A1097-S1100 WeakPolarHBondContact O-CB 3.26Å; A1097-S1100 PolarHBondContact O-N 3.05Å; A1097-H1101 WeakPolarHBondContact O-CB 3.08Å; A1097-H1101 PolarHBondContact O-N 2.6Å
1098Q85.8Confident90.5Very high118 Ų11891.3 Ų91.355%0.55149%0.486SS*.Hα-helixtrans-62.8-39.4174.5-74.7177.2-2.800112.3L1094 H1101 A1102L1094-Q1098 HydrophobicContact CD1-CG 4.25Å; L1094-Q1098 HydrophobicContact CG-CG 4.49Å; L1094-Q1098 WeakPolarHBondContact O-CB 3.32Å; L1094-Q1098 VanDerWaalsContact O-CG 3.28Å; L1094-Q1098 WeakPolarHBondContact O-CG 3.42Å; L1094-Q1098 PolarHBondContact O-N 3.37Å; Q1098-H1101 PolarHBondContact O-N 2.7Å; Q1098-A1102 VanDerWaalsContact O-CB 3.32Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-A1102 PolarHBondContact O-N 2.98Å
1099T91.3Very high90.6Very high82 Ų8292.5 Ų92.550%0.50349%0.491SS..Hα-helixtrans-65.9-42.1174.8-55.10000111.1C1095 R1096 A1097 A1102 N1103C1095-T1099 WeakPolarHBondContact O-CB 3.44Å; C1095-T1099 PolarHBondContact O-N 2.98Å; C1095-T1099 PolarHBondContact O-OG1 2.88Å; R1096-T1099 PolarHBondContact O-N 2.65Å; A1097-T1099 PolarHBondContact O-N 2.99Å; T1099-A1102 PolarHBondContact O-N 2.86Å; T1099-N1103 VanDerWaalsContact O-CG 3.29Å; T1099-N1103 PolarHBondContact O-N 2.88Å
1100S91.7Very high90.7Very high72 Ų7294 Ų9450%0.50350%0.497SS..Hα-helixtrans-59.7-49.7174.6-168.70000111.4R1096 A1097 A1102 N1103 L1104R1096-S1100 WeakPolarHBondContact O-CB 3.4Å; R1096-S1100 PolarHBondContact O-N 2.98Å; A1097-S1100 WeakPolarHBondContact O-CB 3.26Å; A1097-S1100 PolarHBondContact O-N 3.05Å; S1100-A1102 VanDerWaalsContact C-N 3.32Å; S1100-A1102 PolarHBondContact O-N 2.98Å; S1100-N1103 PolarHBondContact O-N 3.04Å; S1100-L1104 WeakPolarHBondContact O-CB 3.5Å; S1100-L1104 PolarHBondContact O-N 3.06Å
1101H86.9Confident90.6Very high116 Ų11692.6 Ų92.654%0.53749%0.493SS..Hα-helixtrans-62.7-35.3176.2-173.2-40.5000112.4A1097 Q1098 R1105A1097-H1101 WeakPolarHBondContact O-CB 3.08Å; A1097-H1101 PolarHBondContact O-N 2.6Å; Q1098-H1101 PolarHBondContact O-N 2.7Å; H1101-R1105 WeakPolarHBondContact O-CB 3.45Å; H1101-R1105 PolarHBondContact O-N 3.16Å
1102A91.1Very high90.7Very high57 Ų5795.7 Ų95.747%0.47150%0.503SS..Hα-helixtrans-65.7-42.2175.600000111.7Q1098 T1099 S1100 A1106Q1098-A1102 VanDerWaalsContact O-CB 3.32Å; Q1098-A1102 WeakPolarHBondContact O-CB 3.46Å; Q1098-A1102 PolarHBondContact O-N 2.98Å; T1099-A1102 PolarHBondContact O-N 2.86Å; S1100-A1102 VanDerWaalsContact C-N 3.32Å; S1100-A1102 PolarHBondContact O-N 2.98Å; A1102-A1106 PolarHBondContact O-N 3.25Å
1103N91.5Very high90.6Very high95 Ų9594.6 Ų94.651%0.50850%0.503SS..Hα-helixtrans-63.9-49.7173.5-65.4-13.1000110.9T1099 S1100 R1105 A1106 D1107T1099-N1103 VanDerWaalsContact O-CG 3.29Å; T1099-N1103 PolarHBondContact O-N 2.88Å; S1100-N1103 PolarHBondContact O-N 3.04Å; N1103-R1105 VanDerWaalsContact C-N 3.28Å; N1103-R1105 PolarHBondContact O-N 2.98Å; N1103-A1106 CarbonylContact O-C 3.58Å; N1103-A1106 WeakPolarHBondContact O-CA 3.49Å; N1103-A1106 WeakPolarHBondContact O-CB 3.28Å; N1103-A1106 PolarHBondContact O-N 3.25Å; N1103-D1107 PolarHBondContact O-N 3.42Å
1104L91.3Very high90.8Very high125 Ų12596 Ų9665%0.65451%0.509SS*.Hα-helixtrans-58.8-38.4-179.9-144.377.4000112.2S1100 D1107 A1108S1100-L1104 WeakPolarHBondContact O-CB 3.5Å; S1100-L1104 PolarHBondContact O-N 3.06Å; L1104-D1107 PolarHBondContact O-N 3.07Å; L1104-A1108 WeakPolarHBondContact O-CB 3.33Å; L1104-A1108 PolarHBondContact O-N 3.25Å
1105R91.1Very high90.7Very high170 Ų17097.7 Ų97.764%0.64251%0.514SS*.Hα-helixtrans-65-43.9172.1172.7174.3-92.9150.9-5.1111.8H1101 N1103 D1107 A1108 E1109H1101-R1105 WeakPolarHBondContact O-CB 3.45Å; H1101-R1105 PolarHBondContact O-N 3.16Å; N1103-R1105 VanDerWaalsContact C-N 3.28Å; N1103-R1105 PolarHBondContact O-N 2.98Å; R1105-D1107 VanDerWaalsContact C-N 3.31Å; R1105-D1107 PolarHBondContact O-N 2.89Å; R1105-A1108 PolarHBondContact O-N 3.26Å; R1105-E1109 WeakPolarHBondContact O-CB 3.42Å; R1105-E1109 PolarHBondContact O-N 3.06Å
1106A90.9Very high90.8Very high35 Ų35100.2 Ų100.229%0.28952%0.52SS..Hα-helixtrans-68.2-29.4178.300000112.8A1102 N1103 K1110A1102-A1106 PolarHBondContact O-N 3.25Å; N1103-A1106 CarbonylContact O-C 3.58Å; N1103-A1106 WeakPolarHBondContact O-CA 3.49Å; N1103-A1106 WeakPolarHBondContact O-CB 3.28Å; N1103-A1106 PolarHBondContact O-N 3.25Å; A1106-K1110 WeakPolarHBondContact O-CE 3.01Å; A1106-K1110 VanDerWaalsContact O-CG 3.25Å; A1106-K1110 WeakPolarHBondContact O-CG 3.09Å; A1106-K1110 PolarHBondContact O-N 3.1Å; A1106-K1110 VanDerWaalsContact O-N 3.14Å
1107D90.6Very high90.9Very high82 Ų82100.1 Ų100.144%0.43952%0.52SS..Hα-helixtrans-78.3-36.2174.2-67.8-37.9000111.9N1103 L1104 R1105 K1110 A1111N1103-D1107 PolarHBondContact O-N 3.42Å; L1104-D1107 PolarHBondContact O-N 3.07Å; R1105-D1107 VanDerWaalsContact C-N 3.31Å; R1105-D1107 PolarHBondContact O-N 2.89Å; D1107-K1110 PolarHBondContact O-N 3.1Å; D1107-K1110 IonicContact OD1-NZ 3.19Å; D1107-K1110 PolarHBondContact OD1-NZ 2.81Å; D1107-A1111 WeakPolarHBondContact O-CB 3.37Å; D1107-A1111 PolarHBondContact O-N 2.83Å
1108A90Very high90.9Very high59 Ų59101.3 Ų101.349%0.48852%0.521SS..Hα-helixtrans-63.4-38.7168.800000112.4L1104 R1105 A1111 Q1112L1104-A1108 WeakPolarHBondContact O-CB 3.33Å; L1104-A1108 PolarHBondContact O-N 3.25Å; R1105-A1108 PolarHBondContact O-N 3.26Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; A1108-Q1112 PolarHBondContact O-N 2.78Å
1109E91.8Very high91.3Very high120 Ų12098.1 Ų98.156%0.56151%0.514SS*.Hα-helixtrans-63.9-42.6174.7-172169.8-154.100111.4R1105 Q1112 E1113R1105-E1109 WeakPolarHBondContact O-CB 3.42Å; R1105-E1109 PolarHBondContact O-N 3.06Å; E1109-Q1112 PolarHBondContact O-N 2.98Å; E1109-E1113 PolarHBondContact O-N 2.96Å
1110K92.6Very high91.3Very high110 Ų11098.2 Ų98.248%0.47851%0.509SS..Hα-helixtrans-62.6-40.4171.2-68.5163.7-151.9162.30112.6A1106 D1107 Q1112 E1113 Q1114A1106-K1110 WeakPolarHBondContact O-CE 3.01Å; A1106-K1110 VanDerWaalsContact O-CG 3.25Å; A1106-K1110 WeakPolarHBondContact O-CG 3.09Å; A1106-K1110 PolarHBondContact O-N 3.1Å; A1106-K1110 VanDerWaalsContact O-N 3.14Å; D1107-K1110 PolarHBondContact O-N 3.1Å; D1107-K1110 IonicContact OD1-NZ 3.19Å; D1107-K1110 PolarHBondContact OD1-NZ 2.81Å; K1110-Q1112 VanDerWaalsContact C-N 3.32Å; K1110-E1113 PolarHBondContact O-N 2.72Å; K1110-Q1114 WeakPolarHBondContact O-CB 3.31Å; K1110-Q1114 WeakPolarHBondContact O-CG 3.18Å; K1110-Q1114 PolarHBondContact O-N 3.35Å
1111A92.1Very high91.4Very high51 Ų51100.2 Ų100.242%0.42151%0.514SS..Hα-helixtrans-65.2-38.3176.800000111.2D1107 A1108 Q1114 Q1115D1107-A1111 WeakPolarHBondContact O-CB 3.37Å; D1107-A1111 PolarHBondContact O-N 2.83Å; A1108-A1111 PolarHBondContact O-N 3.31Å; A1111-Q1114 PolarHBondContact O-N 2.95Å; A1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; A1111-Q1115 PolarHBondContact O-N 3.18Å
1112Q91.7Very high91.7Very high138 Ų138100.5 Ų100.565%0.64552%0.515SS*.Hα-helixtrans-65.9-42.7172.8-172.5176.20.100112A1108 E1109 K1110 Q1114 Q1115 Q1116A1108-Q1112 WeakPolarHBondContact O-CB 3.49Å; A1108-Q1112 PolarHBondContact O-N 2.78Å; E1109-Q1112 PolarHBondContact O-N 2.98Å; K1110-Q1112 VanDerWaalsContact C-N 3.32Å; Q1112-Q1114 VanDerWaalsContact C-N 3.33Å; Q1112-Q1114 PolarHBondContact O-N 2.96Å; Q1112-Q1115 PolarHBondContact O-N 3.09Å; Q1112-Q1116 WeakPolarHBondContact O-CB 3.26Å; Q1112-Q1116 PolarHBondContact O-N 3.26Å
1113E89.8Confident91.8Very high92 Ų92101.3 Ų101.343%0.4352%0.517SS..Hα-helixtrans-59.3-42.3171.3-80.1-166.8-144.600112E1109 K1110 Q1116 R1117E1109-E1113 PolarHBondContact O-N 2.96Å; K1110-E1113 PolarHBondContact O-N 2.72Å; E1113-Q1116 PolarHBondContact O-N 2.82Å; E1113-R1117 VanDerWaalsContact O-CG 3.22Å; E1113-R1117 WeakPolarHBondContact O-CG 3.44Å; E1113-R1117 PolarHBondContact O-N 2.74Å; E1113-R1117 IonicContact OE2-CZ 2.61Å; E1113-R1117 IonicContact OE2-NE 2.61Å; E1113-R1117 IonicContact OE2-NH2 2.8Å; E1113-R1117 PolarHBondContact OE2-NH2 3.11Å
1114Q91Very high91.9Very high128 Ų128102.3 Ų102.360%0.59852%0.517SS*.Hα-helixtrans-64-45.6176.6-75.9175.4-10.400111.2K1110 A1111 Q1112 Q1116 R1117 V1118K1110-Q1114 WeakPolarHBondContact O-CB 3.31Å; K1110-Q1114 WeakPolarHBondContact O-CG 3.18Å; K1110-Q1114 PolarHBondContact O-N 3.35Å; A1111-Q1114 PolarHBondContact O-N 2.95Å; Q1112-Q1114 VanDerWaalsContact C-N 3.33Å; Q1112-Q1114 PolarHBondContact O-N 2.96Å; Q1114-Q1116 VanDerWaalsContact C-N 3.32Å; Q1114-Q1116 PolarHBondContact O-N 3.26Å; Q1114-R1117 PolarHBondContact O-N 2.94Å; Q1114-V1118 WeakPolarHBondContact O-CG2 3Å; Q1114-V1118 PolarHBondContact O-N 2.9Å
1115Q90.7Very high92Very high133 Ų133101.6 Ų101.662%0.62151%0.513SS*.Hα-helixtrans-61.3-39.9176.3-172.964.18.600111.9A1111 Q1112 V1118 A1119A1111-Q1115 WeakPolarHBondContact O-CB 3.4Å; A1111-Q1115 PolarHBondContact O-N 3.18Å; Q1112-Q1115 PolarHBondContact O-N 3.09Å; Q1115-V1118 PolarHBondContact O-N 3.29Å; Q1115-A1119 WeakPolarHBondContact O-CB 3.48Å; Q1115-A1119 PolarHBondContact O-N 3.16Å
1116Q92.6Very high92.1Very high118 Ų11898.6 Ų98.655%0.55151%0.506SS*.Hα-helixtrans-65.1-41.7174.5-176.8173.2-15.800111.9Q1112 E1113 Q1114 V1118 A1119 E1120Q1112-Q1116 WeakPolarHBondContact O-CB 3.26Å; Q1112-Q1116 PolarHBondContact O-N 3.26Å; E1113-Q1116 PolarHBondContact O-N 2.82Å; Q1114-Q1116 VanDerWaalsContact C-N 3.32Å; Q1114-Q1116 PolarHBondContact O-N 3.26Å; Q1116-V1118 VanDerWaalsContact C-N 3.34Å; Q1116-V1118 PolarHBondContact O-N 3.02Å; Q1116-A1119 PolarHBondContact O-N 3.28Å; Q1116-E1120 PolarHBondContact O-N 2.99Å
1117R93.5Very high92.2Very high143 Ų143100.7 Ų100.754%0.5452%0.519SS..Hα-helixtrans-64.9-37174.8-68168.6-160.5-1658112.1E1113 Q1114 E1120 L1121E1113-R1117 VanDerWaalsContact O-CG 3.22Å; E1113-R1117 WeakPolarHBondContact O-CG 3.44Å; E1113-R1117 PolarHBondContact O-N 2.74Å; E1113-R1117 IonicContact OE2-CZ 2.61Å; E1113-R1117 IonicContact OE2-NE 2.61Å; E1113-R1117 IonicContact OE2-NH2 2.8Å; E1113-R1117 PolarHBondContact OE2-NH2 3.11Å; Q1114-R1117 PolarHBondContact O-N 2.94Å; R1117-E1120 PolarHBondContact O-N 2.9Å; R1117-L1121 WeakPolarHBondContact O-CB 3.39Å; R1117-L1121 VanDerWaalsContact O-CG 3.25Å; R1117-L1121 WeakPolarHBondContact O-CG 2.96Å; R1117-L1121 PolarHBondContact O-N 2.87Å
1118V92.1Very high92.2Very high84 Ų8499.2 Ų99.251%0.50952%0.515SS..Hα-helixtrans-65.4-43.8173.4169.90000110.7Q1114 Q1115 Q1116 L1121 H1122Q1114-V1118 WeakPolarHBondContact O-CG2 3Å; Q1114-V1118 PolarHBondContact O-N 2.9Å; Q1115-V1118 PolarHBondContact O-N 3.29Å; Q1116-V1118 VanDerWaalsContact C-N 3.34Å; Q1116-V1118 PolarHBondContact O-N 3.02Å; V1118-L1121 PolarHBondContact O-N 3.14Å; V1118-H1122 WeakPolarHBondContact O-CB 3.46Å; V1118-H1122 PolarHBondContact O-N 3Å
1119A92.5Very high92.3Very high50 Ų50100.9 Ų100.941%0.41351%0.513SS..Hα-helixtrans-61.9-43.9174.600000112.1Q1115 Q1116 L1121 H1122 S1123Q1115-A1119 WeakPolarHBondContact O-CB 3.48Å; Q1115-A1119 PolarHBondContact O-N 3.16Å; Q1116-A1119 PolarHBondContact O-N 3.28Å; A1119-L1121 PolarHBondContact O-N 3.5Å; A1119-H1122 WeakPolarHBondContact O-CB 2.92Å; A1119-H1122 PolarHBondContact O-N 3.24Å; A1119-S1123 PolarHBondContact O-N 2.9Å; A1119-S1123 PolarHBondContact O-OG 3.19Å
1120E91.9Very high92.3Very high85 Ų8599.6 Ų99.640%0.39751%0.513SS..Hα-helixtrans-60.6-41.3173.5-81.2-172.7-140.300113Q1116 R1117 S1123 K1124Q1116-E1120 PolarHBondContact O-N 2.99Å; R1117-E1120 PolarHBondContact O-N 2.9Å; E1120-S1123 PolarHBondContact O-N 3.27Å; E1120-K1124 WeakPolarHBondContact O-CB 3.45Å; E1120-K1124 VanDerWaalsContact O-CD 3.3Å; E1120-K1124 WeakPolarHBondContact O-CD 2.93Å; E1120-K1124 WeakPolarHBondContact O-CG 3.48Å; E1120-K1124 PolarHBondContact O-N 3.4Å; E1120-K1124 IonicContact OE2-NZ 2.74Å; E1120-K1124 PolarHBondContact OE2-NZ 2.97Å
1121L94.2Very high92.4Very high113 Ų113100.2 Ų100.259%0.59252%0.518SS*.Hα-helixtrans-66.9-38.5176.1-74.6169.5000111.2R1117 V1118 A1119 K1124 L1125R1117-L1121 WeakPolarHBondContact O-CB 3.39Å; R1117-L1121 VanDerWaalsContact O-CG 3.25Å; R1117-L1121 WeakPolarHBondContact O-CG 2.96Å; R1117-L1121 PolarHBondContact O-N 2.87Å; V1118-L1121 PolarHBondContact O-N 3.14Å; A1119-L1121 PolarHBondContact O-N 3.5Å; L1121-K1124 PolarHBondContact O-N 3Å; L1121-L1125 WeakPolarHBondContact O-CB 2.98Å; L1121-L1125 PolarHBondContact O-N 3.3Å
1122H93.1Very high92.4Very high122 Ų122102.1 Ų102.157%0.56552%0.524SS*.Hα-helixtrans-63.2-45.5173.7-171.5-66.5000111.7V1118 A1119 K1124 L1125 Q1126V1118-H1122 WeakPolarHBondContact O-CB 3.46Å; V1118-H1122 PolarHBondContact O-N 3Å; A1119-H1122 WeakPolarHBondContact O-CB 2.92Å; A1119-H1122 PolarHBondContact O-N 3.24Å; H1122-K1124 VanDerWaalsContact C-N 3.34Å; H1122-K1124 PolarHBondContact O-N 3.27Å; H1122-L1125 PolarHBondContact O-N 3.45Å; H1122-Q1126 WeakPolarHBondContact O-CB 3.25Å; H1122-Q1126 PolarHBondContact O-N 3.31Å
1123S92.2Very high92.6Very high74 Ų74100.7 Ų100.752%0.51752%0.515SS..Hα-helixtrans-63.5-38.1175.5-59.50000112.4A1119 E1120 S1127A1119-S1123 PolarHBondContact O-N 2.9Å; A1119-S1123 PolarHBondContact O-OG 3.19Å; E1120-S1123 PolarHBondContact O-N 3.27Å; S1123-S1127 WeakPolarHBondContact O-CB 3.34Å; S1123-S1127 PolarHBondContact O-N 3.37Å
1124K94.2Very high92.7Very high116 Ų11698.5 Ų98.550%0.50451%0.511SS..Hα-helixtrans-66.4-43.7174.6-72.3159.7-168.4155.80111.5E1120 L1121 H1122 S1127 S1128E1120-K1124 WeakPolarHBondContact O-CB 3.45Å; E1120-K1124 VanDerWaalsContact O-CD 3.3Å; E1120-K1124 WeakPolarHBondContact O-CD 2.93Å; E1120-K1124 WeakPolarHBondContact O-CG 3.48Å; E1120-K1124 PolarHBondContact O-N 3.4Å; E1120-K1124 IonicContact OE2-NZ 2.74Å; E1120-K1124 PolarHBondContact OE2-NZ 2.97Å; L1121-K1124 PolarHBondContact O-N 3Å; H1122-K1124 VanDerWaalsContact C-N 3.34Å; H1122-K1124 PolarHBondContact O-N 3.27Å; K1124-S1127 WeakPolarHBondContact O-CB 3.15Å; K1124-S1127 PolarHBondContact O-N 3.49Å; K1124-S1128 PolarHBondContact O-N 3.36Å; K1124-S1128 PolarHBondContact O-OG 2.89Å
1125L93.3Very high92.8Very high111 Ų11197 Ų9758%0.58150%0.502SS*.Hα-helixtrans-60-50.4175.318062.6000110.9L1121 H1122 S1127 S1128 E1129L1121-L1125 WeakPolarHBondContact O-CB 2.98Å; L1121-L1125 PolarHBondContact O-N 3.3Å; H1122-L1125 PolarHBondContact O-N 3.45Å; L1125-S1127 VanDerWaalsContact C-N 3.31Å; L1125-S1127 PolarHBondContact O-N 3.17Å; L1125-S1128 WeakPolarHBondContact CA-OG 3.48Å; L1125-S1128 CarbonylContact O-C 3.58Å; L1125-S1128 PolarHBondContact O-N 3.35Å; L1125-S1128 VanDerWaalsContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-OG 3.33Å; L1125-E1129 WeakPolarHBondContact O-CB 3.01Å; L1125-E1129 PolarHBondContact O-N 2.89Å
1126Q94.3Very high92.9Very high106 Ų10693.9 Ų93.950%0.49549%0.494SS..Hα-helixtrans-60.3-38.9177.7-170177.21700112.1H1122 E1129 V1130H1122-Q1126 WeakPolarHBondContact O-CB 3.25Å; H1122-Q1126 PolarHBondContact O-N 3.31Å; Q1126-E1129 PolarHBondContact O-N 2.86Å; Q1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; Q1126-V1130 PolarHBondContact O-N 2.94Å
1127S92Very high92.9Very high79 Ų7994.3 Ų94.355%0.55250%0.496SS*.Hα-helixtrans-61.9-45.6172.7-169.70000111.8S1123 K1124 L1125 E1129 V1130 E1131S1123-S1127 WeakPolarHBondContact O-CB 3.34Å; S1123-S1127 PolarHBondContact O-N 3.37Å; K1124-S1127 WeakPolarHBondContact O-CB 3.15Å; K1124-S1127 PolarHBondContact O-N 3.49Å; L1125-S1127 VanDerWaalsContact C-N 3.31Å; L1125-S1127 PolarHBondContact O-N 3.17Å; S1127-E1129 VanDerWaalsContact C-N 3.32Å; S1127-E1129 PolarHBondContact O-N 3.21Å; S1127-V1130 PolarHBondContact O-N 3.19Å; S1127-E1131 PolarHBondContact O-N 3.45Å
1128S89.9Confident92.9Very high51 Ų5191.5 Ų91.536%0.35749%0.489SS..Hα-helixtrans-69-28.7176.561.60000113.1K1124 L1125 E1131 V1132K1124-S1128 PolarHBondContact O-N 3.36Å; K1124-S1128 PolarHBondContact O-OG 2.89Å; L1125-S1128 WeakPolarHBondContact CA-OG 3.48Å; L1125-S1128 CarbonylContact O-C 3.58Å; L1125-S1128 PolarHBondContact O-N 3.35Å; L1125-S1128 VanDerWaalsContact O-N 3.1Å; L1125-S1128 PolarHBondContact O-OG 3.33Å; S1128-E1131 PolarHBondContact O-N 3.03Å; S1128-V1132 WeakPolarHBondContact O-CB 3.28Å; S1128-V1132 VanDerWaalsContact O-CG2 3.24Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; S1128-V1132 PolarHBondContact O-N 3.42Å
1129E92.9Very high92.9Very high94 Ų9492.9 Ų92.944%0.43949%0.493SS..Hα-helixtrans-70.3-40.1175.2-165.9-166.1153.500111.3L1125 Q1126 S1127 K1133L1125-E1129 WeakPolarHBondContact O-CB 3.01Å; L1125-E1129 PolarHBondContact O-N 2.89Å; Q1126-E1129 PolarHBondContact O-N 2.86Å; S1127-E1129 VanDerWaalsContact C-N 3.32Å; S1127-E1129 PolarHBondContact O-N 3.21Å; E1129-K1133 WeakPolarHBondContact O-CB 3.34Å; E1129-K1133 VanDerWaalsContact O-CG 3.26Å; E1129-K1133 WeakPolarHBondContact O-CG 3.35Å; E1129-K1133 PolarHBondContact O-N 3.39Å; E1129-K1133 VanDerWaalsContact OE1-CE 3.28Å; E1129-K1133 WeakPolarHBondContact OE1-CE 2.9Å; E1129-K1133 IonicContact OE1-NZ 2.78Å; E1129-K1133 PolarHBondContact OE1-NZ 3.2Å
1130V92.7Very high92.9Very high93 Ų9394.3 Ų94.356%0.56450%0.5SS*.Hα-helixtrans-66.2-41.6172.1171.30000111.1Q1126 S1127 K1133 S1134Q1126-V1130 WeakPolarHBondContact O-CG2 3.31Å; Q1126-V1130 PolarHBondContact O-N 2.94Å; S1127-V1130 PolarHBondContact O-N 3.19Å; V1130-K1133 PolarHBondContact O-N 3.11Å; V1130-S1134 WeakPolarHBondContact O-CB 3.35Å; V1130-S1134 PolarHBondContact O-N 2.95Å
1131E93.5Very high92.9Very high124 Ų12493.7 Ų93.758%0.57951%0.505SS*.Hα-helixtrans-63.3-44.1175.3-172.5174-169.100111.7S1127 S1128 S1134 K1135S1127-E1131 PolarHBondContact O-N 3.45Å; S1128-E1131 PolarHBondContact O-N 3.03Å; E1131-S1134 PolarHBondContact O-N 2.73Å; E1131-K1135 WeakPolarHBondContact O-CB 2.96Å; E1131-K1135 VanDerWaalsContact O-CG 3.3Å; E1131-K1135 WeakPolarHBondContact O-CG 3.34Å; E1131-K1135 PolarHBondContact O-N 3.4Å
1132V93.2Very high92.9Very high91 Ų9193 Ų9355%0.55250%0.501SS*.Hα-helixtrans-63.6-40.7174.7166.90000111.7S1128 K1135 C1136S1128-V1132 WeakPolarHBondContact O-CB 3.28Å; S1128-V1132 VanDerWaalsContact O-CG2 3.24Å; S1128-V1132 WeakPolarHBondContact O-CG2 3.49Å; S1128-V1132 PolarHBondContact O-N 3.42Å; V1132-K1135 PolarHBondContact O-N 2.93Å; V1132-C1136 PolarHBondContact O-N 2.96Å; V1132-C1136 PolarHBondContact O-SG 3.13Å; V1132-C1136 VanDerWaalsContact O-SG 3.36Å
1133K94.4Very high92.9Very high107 Ų10792.6 Ų92.647%0.46550%0.5SS..Hα-helixtrans-62.2-48.5174.8-76.5169.9-174.9172.60111.7E1129 V1130 K1135 C1136 E1137E1129-K1133 WeakPolarHBondContact O-CB 3.34Å; E1129-K1133 VanDerWaalsContact O-CG 3.26Å; E1129-K1133 WeakPolarHBondContact O-CG 3.35Å; E1129-K1133 PolarHBondContact O-N 3.39Å; E1129-K1133 VanDerWaalsContact OE1-CE 3.28Å; E1129-K1133 WeakPolarHBondContact OE1-CE 2.9Å; E1129-K1133 IonicContact OE1-NZ 2.78Å; E1129-K1133 PolarHBondContact OE1-NZ 3.2Å; V1130-K1133 PolarHBondContact O-N 3.11Å; K1133-K1135 VanDerWaalsContact C-N 3.29Å; K1133-K1135 PolarHBondContact O-N 3.49Å; K1133-C1136 CarbonylContact O-C 3.58Å; K1133-C1136 WeakPolarHBondContact O-CA 3.05Å; K1133-C1136 WeakPolarHBondContact O-CB 3.47Å; K1133-C1136 PolarHBondContact O-N 2.99Å; K1133-E1137 WeakPolarHBondContact O-CG 3.17Å; K1133-E1137 PolarHBondContact O-N 2.86Å
1134S93.5Very high93Very high47 Ų4790.7 Ų90.733%0.32949%0.492SS..Hα-helixtrans-58-39.7174.3175.20000112V1130 E1131 E1137 E1138V1130-S1134 WeakPolarHBondContact O-CB 3.35Å; V1130-S1134 PolarHBondContact O-N 2.95Å; E1131-S1134 PolarHBondContact O-N 2.73Å; S1134-E1137 PolarHBondContact O-N 3.42Å; S1134-E1138 WeakPolarHBondContact O-CG 3.44Å; S1134-E1138 PolarHBondContact O-N 3.05Å
1135K93.4Very high93Very high95 Ų9590.6 Ų90.641%0.41349%0.493SS..Hα-helixtrans-69.8-32.5174-67.9-67.3166.8-139.90113.5E1131 V1132 K1133 E1138 L1139E1131-K1135 WeakPolarHBondContact O-CB 2.96Å; E1131-K1135 VanDerWaalsContact O-CG 3.3Å; E1131-K1135 WeakPolarHBondContact O-CG 3.34Å; E1131-K1135 PolarHBondContact O-N 3.4Å; V1132-K1135 PolarHBondContact O-N 2.93Å; K1133-K1135 VanDerWaalsContact C-N 3.29Å; K1133-K1135 PolarHBondContact O-N 3.49Å; K1135-E1138 WeakPolarHBondContact CD-OE2 3.18Å; K1135-E1138 IonicContact NZ-OE1 2.76Å; K1135-E1138 PolarHBondContact NZ-OE1 3.33Å; K1135-E1138 IonicContact NZ-OE2 3.87Å; K1135-E1138 PolarHBondContact NZ-OE2 2.97Å; K1135-L1139 VanDerWaalsContact O-CB 3.28Å; K1135-L1139 WeakPolarHBondContact O-CB 3.46Å; K1135-L1139 WeakPolarHBondContact O-CG 3.46Å; K1135-L1139 PolarHBondContact O-N 3.42Å
1136C91.9Very high93Very high68 Ų6890.7 Ų90.746%0.45949%0.494SS..Hα-helixtrans-68.3-34.8170.4-73.70000112.2V1132 K1133 S1140V1132-C1136 PolarHBondContact O-N 2.96Å; V1132-C1136 PolarHBondContact O-SG 3.13Å; V1132-C1136 VanDerWaalsContact O-SG 3.36Å; K1133-C1136 CarbonylContact O-C 3.58Å; K1133-C1136 WeakPolarHBondContact O-CA 3.05Å; K1133-C1136 WeakPolarHBondContact O-CB 3.47Å; K1133-C1136 PolarHBondContact O-N 2.99Å; C1136-S1140 VanDerWaalsContact O-CB 3.26Å; C1136-S1140 WeakPolarHBondContact O-CB 3.2Å; C1136-S1140 PolarHBondContact O-N 2.71Å; C1136-S1140 PolarHBondContact O-OG 3.33Å
1137E91.9Very high93Very high127 Ų12791.7 Ų91.759%0.59350%0.496SS*.Hα-helixtrans-69.7-43.7174.4-70.4161-166.800111.6K1133 S1134 S1140 S1141K1133-E1137 WeakPolarHBondContact O-CG 3.17Å; K1133-E1137 PolarHBondContact O-N 2.86Å; S1134-E1137 PolarHBondContact O-N 3.42Å; E1137-S1140 PolarHBondContact O-N 3.45Å; E1137-S1141 WeakPolarHBondContact O-CB 3.43Å; E1137-S1141 PolarHBondContact O-N 3.06Å; E1137-S1141 PolarHBondContact O-OG 2.83Å
1138E93.6Very high93Very high84 Ų8493.9 Ų93.939%0.39350%0.498SS..Hα-helixtrans-57.6-50.3169.3-76.5176.1-151.100111.6S1134 K1135 S1140 S1141 L1142S1134-E1138 WeakPolarHBondContact O-CG 3.44Å; S1134-E1138 PolarHBondContact O-N 3.05Å; K1135-E1138 WeakPolarHBondContact CD-OE2 3.18Å; K1135-E1138 IonicContact NZ-OE1 2.76Å; K1135-E1138 PolarHBondContact NZ-OE1 3.33Å; K1135-E1138 IonicContact NZ-OE2 3.87Å; K1135-E1138 PolarHBondContact NZ-OE2 2.97Å; E1138-S1140 VanDerWaalsContact C-N 3.32Å; E1138-S1140 PolarHBondContact O-N 2.84Å; E1138-S1141 WeakPolarHBondContact O-CB 3.38Å; E1138-S1141 PolarHBondContact O-N 3.07Å; E1138-L1142 WeakPolarHBondContact O-CB 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.22Å; E1138-L1142 PolarHBondContact O-N 3.46Å
1139L92.6Very high93.2Very high113 Ų11393.7 Ų93.759%0.59250%0.5SS*.Hα-helixtrans-63.2-36.6178.6-76.2169.9000112.3K1135 H1143K1135-L1139 VanDerWaalsContact O-CB 3.28Å; K1135-L1139 WeakPolarHBondContact O-CB 3.46Å; K1135-L1139 WeakPolarHBondContact O-CG 3.46Å; K1135-L1139 PolarHBondContact O-N 3.42Å; L1139-H1143 WeakPolarHBondContact O-CB 3.47Å; L1139-H1143 PolarHBondContact O-N 2.96Å
1140S92.4Very high93.2Very high81 Ų8198.5 Ų98.557%0.56651%0.513SS*.Hα-helixtrans-66.7-38.9174.7-61.90000111.5C1136 E1137 E1138 H1143 G1144C1136-S1140 VanDerWaalsContact O-CB 3.26Å; C1136-S1140 WeakPolarHBondContact O-CB 3.2Å; C1136-S1140 PolarHBondContact O-N 2.71Å; C1136-S1140 PolarHBondContact O-OG 3.33Å; E1137-S1140 PolarHBondContact O-N 3.45Å; E1138-S1140 VanDerWaalsContact C-N 3.32Å; E1138-S1140 PolarHBondContact O-N 2.84Å; S1140-H1143 PolarHBondContact O-N 3.3Å; S1140-G1144 PolarHBondContact O-N 2.99Å
1141S92.5Very high93.2Very high71 Ų7196.4 Ų96.450%0.49751%0.506SS..Hα-helixtrans-67-46.8176.2-55.40000111.6E1137 E1138 H1143 G1144 Q1145E1137-S1141 WeakPolarHBondContact O-CB 3.43Å; E1137-S1141 PolarHBondContact O-N 3.06Å; E1137-S1141 PolarHBondContact O-OG 2.83Å; E1138-S1141 WeakPolarHBondContact O-CB 3.38Å; E1138-S1141 PolarHBondContact O-N 3.07Å; S1141-H1143 VanDerWaalsContact C-N 3.32Å; S1141-H1143 PolarHBondContact O-N 3.39Å; S1141-G1144 WeakPolarHBondContact O-CA 3.48Å; S1141-G1144 PolarHBondContact O-N 3.4Å; S1141-Q1145 WeakPolarHBondContact O-CG 3.13Å; S1141-Q1145 PolarHBondContact O-N 3.43Å
1142L93.9Very high93.2Very high98 Ų9895.8 Ų95.851%0.51350%0.503SS..Hα-helixtrans-63.7-35.8174.3-71.2170.2000112E1138 Q1145 L1146E1138-L1142 WeakPolarHBondContact O-CB 3.3Å; E1138-L1142 WeakPolarHBondContact O-CG 3.22Å; E1138-L1142 PolarHBondContact O-N 3.46Å; L1142-Q1145 PolarHBondContact O-N 2.57Å; L1142-L1146 VanDerWaalsContact O-CB 3.24Å; L1142-L1146 WeakPolarHBondContact O-CB 3.47Å; L1142-L1146 PolarHBondContact O-N 2.87Å
1143H93.6Very high93.1Very high115 Ų11596.3 Ų96.353%0.53250%0.503SS..Hα-helixtrans-69.9-32.2174.1-178.669.9000112.4L1139 S1140 S1141 K1147L1139-H1143 WeakPolarHBondContact O-CB 3.47Å; L1139-H1143 PolarHBondContact O-N 2.96Å; S1140-H1143 PolarHBondContact O-N 3.3Å; S1141-H1143 VanDerWaalsContact C-N 3.32Å; S1141-H1143 PolarHBondContact O-N 3.39Å; H1143-K1147 WeakPolarHBondContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CG 3.48Å; H1143-K1147 PolarHBondContact O-N 2.87Å
1144G93.3Very high93Very high34 Ų3494 Ų9435%0.35150%0.501SS..Hα-helixtrans-61.6-55.2167.800000111.6S1140 S1141 L1146 K1147 E1148S1140-G1144 PolarHBondContact O-N 2.99Å; S1141-G1144 WeakPolarHBondContact O-CA 3.48Å; S1141-G1144 PolarHBondContact O-N 3.4Å; G1144-L1146 VanDerWaalsContact C-N 3.28Å; G1144-L1146 PolarHBondContact O-N 3.31Å; G1144-K1147 WeakPolarHBondContact O-CB 3.44Å; G1144-K1147 PolarHBondContact O-N 2.84Å; G1144-E1148 WeakPolarHBondContact O-CB 3.41Å; G1144-E1148 PolarHBondContact O-N 2.93Å
1145Q94Very high93Very high114 Ų11497.5 Ų97.553%0.53351%0.511SS..Hα-helixtrans-57.9-38.5176.6-68.6170.75.800112.4S1141 L1142 E1148 A1149S1141-Q1145 WeakPolarHBondContact O-CG 3.13Å; S1141-Q1145 PolarHBondContact O-N 3.43Å; L1142-Q1145 PolarHBondContact O-N 2.57Å; Q1145-E1148 PolarHBondContact O-N 3.11Å; Q1145-A1149 VanDerWaalsContact O-CB 3.27Å; Q1145-A1149 WeakPolarHBondContact O-CB 3.32Å; Q1145-A1149 PolarHBondContact O-N 3.44Å
1146L93.3Very high93Very high113 Ų11398 Ų9859%0.59252%0.518SS*.Hα-helixtrans-69-32.4176.4-176.163.7000112.7L1142 G1144 R1150L1142-L1146 VanDerWaalsContact O-CB 3.24Å; L1142-L1146 WeakPolarHBondContact O-CB 3.47Å; L1142-L1146 PolarHBondContact O-N 2.87Å; G1144-L1146 VanDerWaalsContact C-N 3.28Å; G1144-L1146 PolarHBondContact O-N 3.31Å; L1146-R1150 WeakPolarHBondContact O-CB 3.23Å; L1146-R1150 PolarHBondContact O-N 3.4Å; L1146-R1150 VanDerWaalsContact O-N 3.12Å
1147K94.2Very high93Very high126 Ų12697.7 Ų97.755%0.54851%0.514SS..Hα-helixtrans-70.4-42.8171.6-85.2168.1161162.60111.6H1143 G1144 R1150 A1151H1143-K1147 WeakPolarHBondContact O-CB 3.24Å; H1143-K1147 WeakPolarHBondContact O-CG 3.48Å; H1143-K1147 PolarHBondContact O-N 2.87Å; G1144-K1147 WeakPolarHBondContact O-CB 3.44Å; G1144-K1147 PolarHBondContact O-N 2.84Å; K1147-R1150 PolarHBondContact O-N 2.97Å; K1147-A1151 WeakPolarHBondContact O-CB 3.44Å; K1147-A1151 PolarHBondContact O-N 3.28Å
1148E92.9Very high93Very high125 Ų12597.3 Ų97.358%0.58451%0.512SS*.Hα-helixtrans-62.6-56.1177.8-172.9164.7-136.700110.8G1144 Q1145 R1150 A1151 E1152G1144-E1148 WeakPolarHBondContact O-CB 3.41Å; G1144-E1148 PolarHBondContact O-N 2.93Å; Q1145-E1148 PolarHBondContact O-N 3.11Å; E1148-R1150 PolarHBondContact O-N 3.06Å; E1148-R1150 VanDerWaalsContact O-N 3.16Å; E1148-A1151 CarbonylContact O-C 3.57Å; E1148-A1151 WeakPolarHBondContact O-CA 3.35Å; E1148-A1151 WeakPolarHBondContact O-CB 3.43Å; E1148-A1151 PolarHBondContact O-N 3.5Å; E1148-E1152 WeakPolarHBondContact O-CG 3.2Å; E1148-E1152 PolarHBondContact O-N 3.26Å
1149A92.7Very high92.9Very high48 Ų48101.4 Ų101.440%0.39752%0.524SS..Hα-helixtrans-58.6-30.3174.800000113.1Q1145 N1153Q1145-A1149 VanDerWaalsContact O-CB 3.27Å; Q1145-A1149 WeakPolarHBondContact O-CB 3.32Å; Q1145-A1149 PolarHBondContact O-N 3.44Å; A1149-N1153 WeakPolarHBondContact O-CB 3.48Å; A1149-N1153 PolarHBondContact O-N 2.85Å
1150R93.6Very high92.9Very high194 Ų194100.4 Ų100.473%0.73252%0.518SS*.Hα-helixtrans-72-38.9172.4-176.6174.5-178.2166.12.4112.2L1146 K1147 E1148 N1153 S1154L1146-R1150 WeakPolarHBondContact O-CB 3.23Å; L1146-R1150 PolarHBondContact O-N 3.4Å; L1146-R1150 VanDerWaalsContact O-N 3.12Å; K1147-R1150 PolarHBondContact O-N 2.97Å; E1148-R1150 PolarHBondContact O-N 3.06Å; E1148-R1150 VanDerWaalsContact O-N 3.16Å; R1150-N1153 PolarHBondContact O-N 3.06Å; R1150-S1154 PolarHBondContact O-N 2.96Å; R1150-S1154 PolarHBondContact O-OG 2.92Å
1151A92.9Very high92.9Very high49 Ų49103.1 Ų103.141%0.40552%0.516SS..Hα-helixtrans-67.5-42.6175.300000111.4K1147 E1148 S1154 Q1155K1147-A1151 WeakPolarHBondContact O-CB 3.44Å; K1147-A1151 PolarHBondContact O-N 3.28Å; E1148-A1151 CarbonylContact O-C 3.57Å; E1148-A1151 WeakPolarHBondContact O-CA 3.35Å; E1148-A1151 WeakPolarHBondContact O-CB 3.43Å; E1148-A1151 PolarHBondContact O-N 3.5Å; A1151-S1154 PolarHBondContact O-N 3.22Å; A1151-Q1155 WeakPolarHBondContact O-CG 3.17Å; A1151-Q1155 PolarHBondContact O-N 3.15Å
1152E93.7Very high92.8Very high112 Ų112102.7 Ų102.752%0.52351%0.514SS..Hα-helixtrans-57.4-48.1170.5-68.9-178148.200111.3E1148 S1154 Q1155 L1156E1148-E1152 WeakPolarHBondContact O-CG 3.2Å; E1148-E1152 PolarHBondContact O-N 3.26Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.08Å; E1152-Q1155 CarbonylContact O-C 3.6Å; E1152-Q1155 PolarHBondContact O-N 3.21Å; E1152-Q1155 VanDerWaalsContact O-N 3.13Å; E1152-L1156 WeakPolarHBondContact O-CB 3.49Å; E1152-L1156 WeakPolarHBondContact O-CG 3.24Å; E1152-L1156 PolarHBondContact O-N 3.13Å
1153N91.6Very high92.7Very high101 Ų101102.6 Ų102.654%0.5451%0.512SS..Hα-helixtrans-66.5-34-179.8-159.6-17.3000112.1A1149 R1150 L1156 T1157A1149-N1153 WeakPolarHBondContact O-CB 3.48Å; A1149-N1153 PolarHBondContact O-N 2.85Å; R1150-N1153 PolarHBondContact O-N 3.06Å; N1153-L1156 PolarHBondContact O-N 3.09Å; N1153-T1157 WeakPolarHBondContact O-CB 3.27Å; N1153-T1157 PolarHBondContact O-N 3.23Å; N1153-T1157 PolarHBondContact O-OG1 3.06Å
1154S91.9Very high92.4Very high60 Ų60102.2 Ų102.242%0.4251%0.511SS..Hα-helixtrans-62.3-47167.6-72.90000112.3R1150 A1151 E1152 L1156 T1157 E1158R1150-S1154 PolarHBondContact O-N 2.96Å; R1150-S1154 PolarHBondContact O-OG 2.92Å; A1151-S1154 PolarHBondContact O-N 3.22Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.08Å; S1154-L1156 VanDerWaalsContact C-N 3.34Å; S1154-L1156 PolarHBondContact O-N 3.06Å; S1154-T1157 WeakPolarHBondContact O-CB 3.38Å; S1154-T1157 PolarHBondContact O-N 3.05Å; S1154-E1158 WeakPolarHBondContact O-CG 3.23Å; S1154-E1158 PolarHBondContact O-N 3.21Å
1155Q93.2Very high92Very high119 Ų119103.3 Ų103.356%0.55652%0.517SS*.Hα-helixtrans-63.6-37.5176.4-71.5-179.128.700112.5A1151 E1152 E1158 R1159A1151-Q1155 WeakPolarHBondContact O-CG 3.17Å; A1151-Q1155 PolarHBondContact O-N 3.15Å; E1152-Q1155 CarbonylContact O-C 3.6Å; E1152-Q1155 PolarHBondContact O-N 3.21Å; E1152-Q1155 VanDerWaalsContact O-N 3.13Å; Q1155-E1158 PolarHBondContact O-N 3.17Å; Q1155-R1159 WeakPolarHBondContact O-CB 3.44Å; Q1155-R1159 VanDerWaalsContact O-CG 3.28Å; Q1155-R1159 WeakPolarHBondContact O-CG 3.31Å; Q1155-R1159 PolarHBondContact O-N 3.28Å
1156L93.6Very high91.6Very high106 Ų106103.7 Ų103.756%0.55552%0.522SS*.Hα-helixtrans-66-41173.7-71.9171000111E1152 N1153 S1154 E1158 R1159 I1160E1152-L1156 WeakPolarHBondContact O-CB 3.49Å; E1152-L1156 WeakPolarHBondContact O-CG 3.24Å; E1152-L1156 PolarHBondContact O-N 3.13Å; N1153-L1156 PolarHBondContact O-N 3.09Å; S1154-L1156 VanDerWaalsContact C-N 3.34Å; S1154-L1156 PolarHBondContact O-N 3.06Å; L1156-E1158 VanDerWaalsContact C-N 3.34Å; L1156-E1158 PolarHBondContact O-N 3.08Å; L1156-R1159 PolarHBondContact O-N 3.16Å; L1156-I1160 WeakPolarHBondContact O-CB 3.41Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.39Å; L1156-I1160 VanDerWaalsContact O-CG1 3.24Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.49Å; L1156-I1160 PolarHBondContact O-N 3.12Å
1157T92.1Very high91Very high62 Ų62103.7 Ų103.738%0.3852%0.522SS..Hα-helixtrans-63.4-39.5174.5-56.90000111.6N1153 S1154 R1161N1153-T1157 WeakPolarHBondContact O-CB 3.27Å; N1153-T1157 PolarHBondContact O-N 3.23Å; N1153-T1157 PolarHBondContact O-OG1 3.06Å; S1154-T1157 WeakPolarHBondContact O-CB 3.38Å; S1154-T1157 PolarHBondContact O-N 3.05Å; T1157-R1161 WeakPolarHBondContact O-CB 3.42Å; T1157-R1161 PolarHBondContact O-N 3Å
1158E90.5Very high90.4Very high118 Ų118104.6 Ų104.655%0.55153%0.528SS*.Hα-helixtrans-69.8-37174.3-73.9174.8177.200112.6S1154 Q1155 L1156 R1161 S1162S1154-E1158 WeakPolarHBondContact O-CG 3.23Å; S1154-E1158 PolarHBondContact O-N 3.21Å; Q1155-E1158 PolarHBondContact O-N 3.17Å; L1156-E1158 VanDerWaalsContact C-N 3.34Å; L1156-E1158 PolarHBondContact O-N 3.08Å; E1158-R1161 PolarHBondContact O-N 3.08Å; E1158-S1162 VanDerWaalsContact O-CB 3.3Å; E1158-S1162 WeakPolarHBondContact O-CB 3.36Å; E1158-S1162 PolarHBondContact O-N 3.24Å
1159R93.5Very high89.7Confident171 Ų171101.3 Ų101.365%0.64552%0.522SS*.Hα-helixtrans-64.9-43.7172.8-79.2-79.5154.471.30.9111.9Q1155 L1156 S1162 I1163Q1155-R1159 WeakPolarHBondContact O-CB 3.44Å; Q1155-R1159 VanDerWaalsContact O-CG 3.28Å; Q1155-R1159 WeakPolarHBondContact O-CG 3.31Å; Q1155-R1159 PolarHBondContact O-N 3.28Å; L1156-R1159 PolarHBondContact O-N 3.16Å; R1159-S1162 PolarHBondContact O-N 3.08Å; R1159-I1163 WeakPolarHBondContact O-CD1 3.47Å; R1159-I1163 VanDerWaalsContact O-CG1 3.26Å; R1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; R1159-I1163 PolarHBondContact O-N 2.99Å
1160I91.9Very high89Confident91 Ų91100.3 Ų100.347%0.46752%0.516SS..Hα-helixtrans-59.1-53.6173.6-71.9163.3000109.4L1156 S1162 I1163 E1164L1156-I1160 WeakPolarHBondContact O-CB 3.41Å; L1156-I1160 WeakPolarHBondContact O-CD1 3.39Å; L1156-I1160 VanDerWaalsContact O-CG1 3.24Å; L1156-I1160 WeakPolarHBondContact O-CG1 3.49Å; L1156-I1160 PolarHBondContact O-N 3.12Å; I1160-S1162 VanDerWaalsContact C-N 3.26Å; I1160-S1162 PolarHBondContact O-N 3.3Å; I1160-I1163 CarbonylContact O-C 3.53Å; I1160-I1163 WeakPolarHBondContact O-CA 3.45Å; I1160-I1163 PolarHBondContact O-N 2.82Å; I1160-E1164 HydrophobicContact CG2-CG 4.21Å; I1160-E1164 WeakPolarHBondContact CG2-OE1 3.4Å; I1160-E1164 WeakPolarHBondContact O-CG 3.39Å; I1160-E1164 PolarHBondContact O-N 3.37Å
1161R92.3Very high88.3Confident138 Ų13897.5 Ų97.552%0.52151%0.512SS..Hα-helixtrans-57.6-36.7177.6-165.5-173.2-56.1115.85.1113.4T1157 E1158 E1164 A1165T1157-R1161 WeakPolarHBondContact O-CB 3.42Å; T1157-R1161 PolarHBondContact O-N 3Å; E1158-R1161 PolarHBondContact O-N 3.08Å; R1161-E1164 WeakPolarHBondContact CA-OE2 3.41Å; R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.29Å
1162S90.8Very high87.4Confident63 Ų6397.8 Ų97.844%0.44151%0.514SS..Hα-helixtrans-71-31.1175.7-174.20000112.9E1158 R1159 I1160 L1166E1158-S1162 VanDerWaalsContact O-CB 3.3Å; E1158-S1162 WeakPolarHBondContact O-CB 3.36Å; E1158-S1162 PolarHBondContact O-N 3.24Å; R1159-S1162 PolarHBondContact O-N 3.08Å; I1160-S1162 VanDerWaalsContact C-N 3.26Å; I1160-S1162 PolarHBondContact O-N 3.3Å; S1162-L1166 WeakPolarHBondContact O-CB 3.31Å; S1162-L1166 WeakPolarHBondContact O-CD1 3.5Å; S1162-L1166 WeakPolarHBondContact O-CG 3.38Å; S1162-L1166 PolarHBondContact O-N 2.88Å
1163I90.5Very high86.5Confident95 Ų9599.2 Ų99.249%0.48752%0.521SS..Hα-helixtrans-76.1-42.9174.5-70163000109.9R1159 I1160 L1166 L1167R1159-I1163 WeakPolarHBondContact O-CD1 3.47Å; R1159-I1163 VanDerWaalsContact O-CG1 3.26Å; R1159-I1163 WeakPolarHBondContact O-CG1 3.5Å; R1159-I1163 PolarHBondContact O-N 2.99Å; I1160-I1163 CarbonylContact O-C 3.53Å; I1160-I1163 WeakPolarHBondContact O-CA 3.45Å; I1160-I1163 PolarHBondContact O-N 2.82Å; I1163-L1166 PolarHBondContact O-N 2.95Å; I1163-L1167 HydrophobicContact CG2-CD1 3.9Å; I1163-L1167 HydrophobicContact CG2-CG 4.36Å; I1163-L1167 WeakPolarHBondContact O-CG 3.26Å; I1163-L1167 PolarHBondContact O-N 3.47Å
1164E87.2Confident85.7Confident107 Ų107100 Ų10050%0.553%0.525SS..Hα-helixtrans-55.8-52173.5-70.4168156.800110.5I1160 R1161 L1166 L1167 E1168I1160-E1164 HydrophobicContact CG2-CG 4.21Å; I1160-E1164 WeakPolarHBondContact CG2-OE1 3.4Å; I1160-E1164 WeakPolarHBondContact O-CG 3.39Å; I1160-E1164 PolarHBondContact O-N 3.37Å; R1161-E1164 WeakPolarHBondContact CA-OE2 3.41Å; E1164-L1166 VanDerWaalsContact C-N 3.29Å; E1164-L1166 PolarHBondContact O-N 2.66Å; E1164-L1167 PolarHBondContact O-N 3.44Å; E1164-L1167 VanDerWaalsContact O-N 3.15Å; E1164-E1168 VanDerWaalsContact O-CB 3.31Å; E1164-E1168 WeakPolarHBondContact O-CB 3.23Å; E1164-E1168 PolarHBondContact O-N 3.23Å
1165A85.7Confident84.8Confident57 Ų57101.5 Ų101.547%0.47153%0.531SS..Hα-helixtrans-61.8-32177.400000113.8R1161 A1169R1161-A1165 WeakPolarHBondContact O-CB 3.28Å; R1161-A1165 PolarHBondContact O-N 3.29Å; A1165-A1169 VanDerWaalsContact O-CB 3.22Å; A1165-A1169 WeakPolarHBondContact O-CB 3.44Å; A1165-A1169 PolarHBondContact O-N 3.02Å
1166L85.4Confident84Confident123 Ų123103.1 Ų103.164%0.64454%0.539SS*.Hα-helixtrans-73.7-38174.4-76.7169.2000112.4S1162 I1163 E1164 G1170S1162-L1166 WeakPolarHBondContact O-CB 3.31Å; S1162-L1166 WeakPolarHBondContact O-CD1 3.5Å; S1162-L1166 WeakPolarHBondContact O-CG 3.38Å; S1162-L1166 PolarHBondContact O-N 2.88Å; I1163-L1166 PolarHBondContact O-N 2.95Å; E1164-L1166 VanDerWaalsContact C-N 3.29Å; E1164-L1166 PolarHBondContact O-N 2.66Å; L1166-G1170 PolarHBondContact O-N 3.1Å
1167L80.6Confident83.1Confident112 Ų112100.6 Ų100.659%0.58653%0.533SS*.Hα-helixtrans-67.3-40.2174.2-71.8168.7000111.4I1163 E1164 G1170 Q1171I1163-L1167 HydrophobicContact CG2-CD1 3.9Å; I1163-L1167 HydrophobicContact CG2-CG 4.36Å; I1163-L1167 WeakPolarHBondContact O-CG 3.26Å; I1163-L1167 PolarHBondContact O-N 3.47Å; E1164-L1167 PolarHBondContact O-N 3.44Å; E1164-L1167 VanDerWaalsContact O-N 3.15Å; L1167-G1170 PolarHBondContact O-N 3.29Å; L1167-Q1171 WeakPolarHBondContact O-CG 3.29Å; L1167-Q1171 PolarHBondContact O-N 2.88Å
1168E81.6Confident82.2Confident145 Ų145101.1 Ų101.168%0.67854%0.54SS*.Hα-helixtrans-71.6-39180-159.1161.8-124.100111.3E1164 Q1171 A1172E1164-E1168 VanDerWaalsContact O-CB 3.31Å; E1164-E1168 WeakPolarHBondContact O-CB 3.23Å; E1164-E1168 PolarHBondContact O-N 3.23Å; E1168-Q1171 PolarHBondContact O-N 3.46Å; E1168-A1172 WeakPolarHBondContact O-CB 3.4Å; E1168-A1172 PolarHBondContact O-N 2.95Å
1169A78Confident81.5Confident57 Ų57101.4 Ų101.447%0.47154%0.541SS..Hα-helixtrans-63.8-39.4168.500000112.5A1165 A1172 Q1173A1165-A1169 VanDerWaalsContact O-CB 3.22Å; A1165-A1169 WeakPolarHBondContact O-CB 3.44Å; A1165-A1169 PolarHBondContact O-N 3.02Å; A1169-A1172 PolarHBondContact O-N 3.16Å; A1169-Q1173 PolarHBondContact O-N 3.37Å
1170G78.4Confident80.7Confident26 Ų2696 Ų9627%0.26853%0.533SS..Hα-helixtrans-61.5-49173.700000112.2L1166 L1167 A1172 Q1173 D1174L1166-G1170 PolarHBondContact O-N 3.1Å; L1167-G1170 PolarHBondContact O-N 3.29Å; G1170-A1172 VanDerWaalsContact C-N 3.33Å; G1170-A1172 PolarHBondContact O-N 2.94Å; G1170-Q1173 PolarHBondContact O-N 2.98Å; G1170-Q1173 VanDerWaalsContact O-N 3.12Å; G1170-D1174 PolarHBondContact O-N 3.02Å
1171Q78.6Confident80Confident136 Ų13697.4 Ų97.464%0.63654%0.538SS*.Hα-helixtrans-62.8-36.9175.7-73.8-174.710.200112.6L1167 E1168 Q1173 T1175L1167-Q1171 WeakPolarHBondContact O-CG 3.29Å; L1167-Q1171 PolarHBondContact O-N 2.88Å; E1168-Q1171 PolarHBondContact O-N 3.46Å; Q1171-Q1173 VanDerWaalsContact C-N 3.33Å; Q1171-T1175 WeakPolarHBondContact O-CB 3.36Å; Q1171-T1175 VanDerWaalsContact O-CG2 3.31Å; Q1171-T1175 WeakPolarHBondContact O-CG2 3.28Å; Q1171-T1175 PolarHBondContact O-N 3.44Å; Q1171-T1175 PolarHBondContact O-OG1 3.1Å
1172A74.9Confident79.2Confident55 Ų5593.3 Ų93.346%0.45553%0.533SS..Hα-helixtrans-62.9-39.9173.100000111.8E1168 A1169 G1170 T1175 Q1176E1168-A1172 WeakPolarHBondContact O-CB 3.4Å; E1168-A1172 PolarHBondContact O-N 2.95Å; A1169-A1172 PolarHBondContact O-N 3.16Å; G1170-A1172 VanDerWaalsContact C-N 3.33Å; G1170-A1172 PolarHBondContact O-N 2.94Å; A1172-T1175 PolarHBondContact O-OG1 3.43Å; A1172-Q1176 VanDerWaalsContact O-CB 3.27Å; A1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; A1172-Q1176 PolarHBondContact O-N 2.69Å
1173Q75.2Confident78.7Confident142 Ų14294.6 Ų94.666%0.66454%0.535SS*.Hα-helixtrans-70-44.6176.8-171.8171.7-4.500112.3A1169 G1170 Q1171 Q1176 A1177A1169-Q1173 PolarHBondContact O-N 3.37Å; G1170-Q1173 PolarHBondContact O-N 2.98Å; G1170-Q1173 VanDerWaalsContact O-N 3.12Å; Q1171-Q1173 VanDerWaalsContact C-N 3.33Å; Q1173-Q1176 PolarHBondContact O-N 3.42Å; Q1173-A1177 WeakPolarHBondContact O-CB 3.43Å; Q1173-A1177 PolarHBondContact O-N 2.84Å
1174D73.1Confident78.3Confident116 Ų11694.9 Ų94.962%0.6253%0.534SS*.Hα-helixtrans-65.2-41.3177.8-76.5-22000111.9G1170 A1177 S1178G1170-D1174 PolarHBondContact O-N 3.02Å; D1174-A1177 PolarHBondContact O-N 2.91Å; D1174-S1178 VanDerWaalsContact O-CB 3.27Å; D1174-S1178 WeakPolarHBondContact O-CB 3.47Å; D1174-S1178 PolarHBondContact O-N 2.86Å
1175T73.7Confident78.1Confident92 Ų9295.5 Ų95.556%0.56454%0.537SS*.Hα-helixtrans-68.5-37.7175.851.40000112.1Q1171 A1172 H1179Q1171-T1175 WeakPolarHBondContact O-CB 3.36Å; Q1171-T1175 VanDerWaalsContact O-CG2 3.31Å; Q1171-T1175 WeakPolarHBondContact O-CG2 3.28Å; Q1171-T1175 PolarHBondContact O-N 3.44Å; Q1171-T1175 PolarHBondContact O-OG1 3.1Å; A1172-T1175 PolarHBondContact O-OG1 3.43Å; T1175-H1179 VanDerWaalsContact O-CB 3.29Å; T1175-H1179 WeakPolarHBondContact O-CB 3.33Å; T1175-H1179 PolarHBondContact O-N 3.29Å
1176Q76.9Confident78.1Confident153 Ų15398 Ų9872%0.71554%0.539SS*.Hα-helixtrans-65.5-41173.3-171.517516.100111.9A1172 Q1173 A1180A1172-Q1176 VanDerWaalsContact O-CB 3.27Å; A1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; A1172-Q1176 PolarHBondContact O-N 2.69Å; Q1173-Q1176 PolarHBondContact O-N 3.42Å; Q1176-A1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-A1180 PolarHBondContact O-N 3.48Å
1177A74Confident77.9Confident53 Ų5396.3 Ų96.344%0.43853%0.534SS..Hα-helixtrans-64.8-4817600000111.8Q1173 D1174 H1179 A1180 E1181Q1173-A1177 WeakPolarHBondContact O-CB 3.43Å; Q1173-A1177 PolarHBondContact O-N 2.84Å; D1174-A1177 PolarHBondContact O-N 2.91Å; A1177-H1179 VanDerWaalsContact C-N 3.35Å; A1177-H1179 PolarHBondContact O-N 3.27Å; A1177-A1180 WeakPolarHBondContact O-CB 3.47Å; A1177-A1180 PolarHBondContact O-N 3.02Å; A1177-A1180 VanDerWaalsContact O-N 3.14Å; A1177-E1181 PolarHBondContact O-N 3.18Å
1178S73.5Confident78.2Confident74 Ų7497.5 Ų97.552%0.51753%0.531SS..Hα-helixtrans-62.4-39.5177.3-174.70000112.2D1174 A1180 E1181 A1182D1174-S1178 VanDerWaalsContact O-CB 3.27Å; D1174-S1178 WeakPolarHBondContact O-CB 3.47Å; D1174-S1178 PolarHBondContact O-N 2.86Å; S1178-A1180 VanDerWaalsContact C-N 3.33Å; S1178-A1180 PolarHBondContact O-N 3.4Å; S1178-E1181 PolarHBondContact O-N 2.88Å; S1178-A1182 WeakPolarHBondContact O-CB 3.17Å; S1178-A1182 PolarHBondContact O-N 3.5Å
1179H75.8Confident78.4Confident123 Ų12395.7 Ų95.757%0.56953%0.525SS*.Hα-helixtrans-68.4-32.2175.3-160-16.6000112.3T1175 A1177 N1183T1175-H1179 VanDerWaalsContact O-CB 3.29Å; T1175-H1179 WeakPolarHBondContact O-CB 3.33Å; T1175-H1179 PolarHBondContact O-N 3.29Å; A1177-H1179 VanDerWaalsContact C-N 3.35Å; A1177-H1179 PolarHBondContact O-N 3.27Å; H1179-N1183 PolarHBondContact O-N 3.49Å; H1179-N1183 PolarHBondContact O-ND2 2.95Å
1180A75.8Confident78.7Confident58 Ų5899.1 Ų99.148%0.47953%0.53SS..Hα-helixtrans-69.5-43.5172.800000112.2Q1176 A1177 S1178 N1183 Q1184Q1176-A1180 WeakPolarHBondContact O-CB 3.44Å; Q1176-A1180 PolarHBondContact O-N 3.48Å; A1177-A1180 WeakPolarHBondContact O-CB 3.47Å; A1177-A1180 PolarHBondContact O-N 3.02Å; A1177-A1180 VanDerWaalsContact O-N 3.14Å; S1178-A1180 VanDerWaalsContact C-N 3.33Å; S1178-A1180 PolarHBondContact O-N 3.4Å; A1180-N1183 PolarHBondContact O-N 3.26Å; A1180-Q1184 PolarHBondContact O-N 2.9Å
1181E77.3Confident79.1Confident121 Ų121103.9 Ų103.957%0.56555%0.545SS*.Hα-helixtrans-61.5-43.4172.4-76.4-161.2123.900111.9A1177 S1178 N1183 Q1184 Q1185A1177-E1181 PolarHBondContact O-N 3.18Å; S1178-E1181 PolarHBondContact O-N 2.88Å; E1181-N1183 VanDerWaalsContact C-N 3.33Å; E1181-N1183 PolarHBondContact O-N 3.32Å; E1181-Q1184 WeakPolarHBondContact O-CB 3.36Å; E1181-Q1184 PolarHBondContact O-N 3.05Å; E1181-Q1184 VanDerWaalsContact O-N 3.1Å; E1181-Q1185 WeakPolarHBondContact O-CG 3.03Å; E1181-Q1185 PolarHBondContact O-N 3.41Å
1182A76Confident79.4Confident52 Ų52102.1 Ų102.143%0.4354%0.539SS..Hα-helixtrans-58.8-44.2176.100000111.6S1178 Q1184 Q1185 Q1186S1178-A1182 WeakPolarHBondContact O-CB 3.17Å; S1178-A1182 PolarHBondContact O-N 3.5Å; A1182-Q1184 PolarHBondContact O-N 3.49Å; A1182-Q1185 PolarHBondContact O-N 2.61Å; A1182-Q1186 VanDerWaalsContact O-CB 3.28Å; A1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; A1182-Q1186 PolarHBondContact O-N 3.24Å
1183N80.5Confident80.1Confident89 Ų89106.2 Ų106.248%0.47655%0.549SS..Hα-helixtrans-65.2-36.2174-77.1-28.7000112.5H1179 A1180 E1181 T1187H1179-N1183 PolarHBondContact O-N 3.49Å; H1179-N1183 PolarHBondContact O-ND2 2.95Å; A1180-N1183 PolarHBondContact O-N 3.26Å; E1181-N1183 VanDerWaalsContact C-N 3.33Å; E1181-N1183 PolarHBondContact O-N 3.32Å; N1183-T1187 WeakPolarHBondContact O-CB 3.35Å; N1183-T1187 PolarHBondContact O-N 2.81Å; N1183-T1187 PolarHBondContact O-OG1 3.47Å
1184Q81.9Confident80.5Confident102 Ų102102.9 Ų102.948%0.47754%0.541SS..Hα-helixtrans-66.7-42175-167.1-174.963.300111.8A1180 E1181 A1182 T1187 R1188A1180-Q1184 PolarHBondContact O-N 2.9Å; E1181-Q1184 WeakPolarHBondContact O-CB 3.36Å; E1181-Q1184 PolarHBondContact O-N 3.05Å; E1181-Q1184 VanDerWaalsContact O-N 3.1Å; A1182-Q1184 PolarHBondContact O-N 3.49Å; Q1184-T1187 PolarHBondContact O-N 2.84Å; Q1184-R1188 PolarHBondContact O-N 3.4Å
1185Q82.8Confident81.4Confident120 Ų120102.8 Ų102.856%0.56154%0.537SS*.Hα-helixtrans-67.7-42.3175.2-68.3-164.82600111.8E1181 A1182 T1187 R1188 L1189E1181-Q1185 WeakPolarHBondContact O-CG 3.03Å; E1181-Q1185 PolarHBondContact O-N 3.41Å; A1182-Q1185 PolarHBondContact O-N 2.61Å; Q1185-T1187 PolarHBondContact O-N 2.84Å; Q1185-R1188 PolarHBondContact O-N 2.89Å; Q1185-L1189 WeakPolarHBondContact O-CB 3.38Å; Q1185-L1189 WeakPolarHBondContact O-CG 3.48Å; Q1185-L1189 PolarHBondContact O-N 3.14Å
1186Q85.3Confident82.1Confident108 Ų108102 Ų10251%0.50553%0.532SS..Hα-helixtrans-56.3-38.1172.5-175.782.889.300111.8A1182 K1190A1182-Q1186 VanDerWaalsContact O-CB 3.28Å; A1182-Q1186 WeakPolarHBondContact O-CB 3.28Å; A1182-Q1186 PolarHBondContact O-N 3.24Å; Q1186-K1190 WeakPolarHBondContact O-CG 3.29Å; Q1186-K1190 PolarHBondContact O-N 2.93Å
1187T82.8Confident82.7Confident88 Ų8898.1 Ų98.154%0.5452%0.522SS..Hα-helixtrans-71.2-48.6177.5-54.60000111.3N1183 Q1184 Q1185 L1189 K1190 E1191N1183-T1187 WeakPolarHBondContact O-CB 3.35Å; N1183-T1187 PolarHBondContact O-N 2.81Å; N1183-T1187 PolarHBondContact O-OG1 3.47Å; Q1184-T1187 PolarHBondContact O-N 2.84Å; Q1185-T1187 PolarHBondContact O-N 2.84Å; T1187-L1189 VanDerWaalsContact C-N 3.3Å; T1187-L1189 PolarHBondContact O-N 3.45Å; T1187-K1190 PolarHBondContact O-N 2.85Å; T1187-E1191 PolarHBondContact O-N 3.4Å
1188R86Confident83.3Confident137 Ų13799.2 Ų99.252%0.51753%0.526SS..Hα-helixtrans-59.5-37.2175-78.8-176.7172.4131.1-1.1113Q1184 Q1185 E1191 L1192Q1184-R1188 PolarHBondContact O-N 3.4Å; Q1185-R1188 PolarHBondContact O-N 2.89Å; R1188-E1191 PolarHBondContact O-N 3.32Å; R1188-L1192 WeakPolarHBondContact O-CB 3.47Å; R1188-L1192 PolarHBondContact O-N 2.96Å
1189L84.9Confident83.8Confident107 Ų107100 Ų10056%0.5652%0.524SS*.Hα-helixtrans-64.2-46176.5-79.3170000111.4Q1185 T1187 E1191 L1192 E1193Q1185-L1189 WeakPolarHBondContact O-CB 3.38Å; Q1185-L1189 WeakPolarHBondContact O-CG 3.48Å; Q1185-L1189 PolarHBondContact O-N 3.14Å; T1187-L1189 VanDerWaalsContact C-N 3.3Å; T1187-L1189 PolarHBondContact O-N 3.45Å; L1189-E1191 VanDerWaalsContact C-N 3.31Å; L1189-E1191 PolarHBondContact O-N 2.88Å; L1189-L1192 PolarHBondContact O-N 2.98Å; L1189-E1193 WeakPolarHBondContact O-CB 3.3Å; L1189-E1193 PolarHBondContact O-N 3.02Å
1190K86.3Confident84.4Confident130 Ų130100.2 Ų100.257%0.56553%0.525SS*.Hα-helixtrans-63-36.3174.8-73.6178.3176.6-177.90112.8Q1186 T1187 S1194Q1186-K1190 WeakPolarHBondContact O-CG 3.29Å; Q1186-K1190 PolarHBondContact O-N 2.93Å; T1187-K1190 PolarHBondContact O-N 2.85Å; K1190-S1194 VanDerWaalsContact O-CB 3.3Å; K1190-S1194 WeakPolarHBondContact O-CB 3.43Å; K1190-S1194 PolarHBondContact O-N 3.35Å
1191E86.2Confident85Confident126 Ų126103.5 Ų103.559%0.58953%0.528SS*.Hα-helixtrans-68-44176.3-171.7167.9-154.200111.7T1187 R1188 L1189 S1194 Q1195T1187-E1191 PolarHBondContact O-N 3.4Å; R1188-E1191 PolarHBondContact O-N 3.32Å; L1189-E1191 VanDerWaalsContact C-N 3.31Å; L1189-E1191 PolarHBondContact O-N 2.88Å; E1191-S1194 PolarHBondContact O-N 3.3Å; E1191-Q1195 VanDerWaalsContact O-CB 3.28Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 PolarHBondContact O-N 2.96Å
1192L84.2Confident85.4Confident98 Ų98103.2 Ų103.251%0.51353%0.527SS..Hα-helixtrans-63.1-43.1172.6-82.9162.4000112.6R1188 L1189 Q1195 V1196R1188-L1192 WeakPolarHBondContact O-CB 3.47Å; R1188-L1192 PolarHBondContact O-N 2.96Å; L1189-L1192 PolarHBondContact O-N 2.98Å; L1192-Q1195 PolarHBondContact O-N 3.5Å; L1192-V1196 WeakPolarHBondContact O-CG2 3.35Å; L1192-V1196 PolarHBondContact O-N 2.89Å
1193E89.9Confident85.7Confident141 Ų141104.9 Ų104.966%0.65953%0.532SS*.Hα-helixtrans-62.6-43.3178-174.3171.3-126.200111.3L1189 S1197L1189-E1193 WeakPolarHBondContact O-CB 3.3Å; L1189-E1193 PolarHBondContact O-N 3.02Å; E1193-S1197 WeakPolarHBondContact O-CB 3.4Å; E1193-S1197 PolarHBondContact O-N 3.48Å
1194S84.4Confident85.7Confident73 Ų73104.1 Ų104.151%0.5153%0.533SS..Hα-helixtrans-62-42.2170.9-171.60000112.2K1190 E1191 S1197 C1198K1190-S1194 VanDerWaalsContact O-CB 3.3Å; K1190-S1194 WeakPolarHBondContact O-CB 3.43Å; K1190-S1194 PolarHBondContact O-N 3.35Å; E1191-S1194 PolarHBondContact O-N 3.3Å; S1194-S1197 WeakPolarHBondContact O-CB 3.48Å; S1194-S1197 PolarHBondContact O-N 2.86Å; S1194-C1198 PolarHBondContact O-N 3.2Å; S1194-C1198 PolarHBondContact O-SG 2.82Å; S1194-C1198 VanDerWaalsContact O-SG 3.4Å
1195Q90.6Very high85.9Confident113 Ų113104 Ų10453%0.52853%0.533SS..Hα-helixtrans-67.8-40-179.2-164171.5109.800112.3E1191 L1192 C1198 L1199E1191-Q1195 VanDerWaalsContact O-CB 3.28Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.44Å; E1191-Q1195 PolarHBondContact O-N 2.96Å; L1192-Q1195 PolarHBondContact O-N 3.5Å; Q1195-C1198 PolarHBondContact O-N 3.02Å; Q1195-L1199 WeakPolarHBondContact O-CG 3.4Å; Q1195-L1199 PolarHBondContact O-N 3.2Å; Q1195-L1199 VanDerWaalsContact O-N 3.08Å
1196V88.6Confident86.1Confident75 Ų75104.2 Ų104.246%0.45554%0.537SS..Hα-helixtrans-63.2-46170.8170.90000110.3L1192 C1198 L1199 E1200L1192-V1196 WeakPolarHBondContact O-CG2 3.35Å; L1192-V1196 PolarHBondContact O-N 2.89Å; V1196-C1198 VanDerWaalsContact C-N 3.3Å; V1196-C1198 PolarHBondContact O-N 2.91Å; V1196-L1199 PolarHBondContact O-N 2.9Å; V1196-L1199 VanDerWaalsContact O-N 3.08Å; V1196-E1200 HydrophobicContact CG1-CG 4.18Å; V1196-E1200 WeakPolarHBondContact O-CG 3.32Å; V1196-E1200 PolarHBondContact O-N 2.8Å
1197S89.2Confident86.1Confident73 Ų73106.1 Ų106.151%0.5154%0.544SS..Hα-helixtrans-58.3-39.6177.9-166.70000112.8E1193 S1194 K1201E1193-S1197 WeakPolarHBondContact O-CB 3.4Å; E1193-S1197 PolarHBondContact O-N 3.48Å; S1194-S1197 WeakPolarHBondContact O-CB 3.48Å; S1194-S1197 PolarHBondContact O-N 2.86Å; S1197-K1201 WeakPolarHBondContact O-CB 3.46Å; S1197-K1201 PolarHBondContact O-N 3.34Å
1198C86.9Confident86.1Confident76 Ų76107.6 Ų107.651%0.51454%0.544SS..Hα-helixtrans-63.8-46172-71.30000112.7S1194 Q1195 V1196 K1201 E1202S1194-C1198 PolarHBondContact O-N 3.2Å; S1194-C1198 PolarHBondContact O-SG 2.82Å; S1194-C1198 VanDerWaalsContact O-SG 3.4Å; Q1195-C1198 PolarHBondContact O-N 3.02Å; V1196-C1198 VanDerWaalsContact C-N 3.3Å; V1196-C1198 PolarHBondContact O-N 2.91Å; C1198-K1201 WeakPolarHBondContact O-CB 3.44Å; C1198-K1201 PolarHBondContact O-N 3.24Å; C1198-E1202 PolarHBondContact O-N 3.49Å
1199L84.6Confident86.1Confident91 Ų91103.7 Ų103.748%0.47654%0.542SS..Hα-helixtrans-67.5-36.5-179.4-71.4168.1000112.8Q1195 V1196 K1201 T1203Q1195-L1199 WeakPolarHBondContact O-CG 3.4Å; Q1195-L1199 PolarHBondContact O-N 3.2Å; Q1195-L1199 VanDerWaalsContact O-N 3.08Å; V1196-L1199 PolarHBondContact O-N 2.9Å; V1196-L1199 VanDerWaalsContact O-N 3.08Å; L1199-K1201 VanDerWaalsContact C-N 3.3Å; L1199-T1203 VanDerWaalsContact O-CB 3.26Å; L1199-T1203 WeakPolarHBondContact O-CB 3.19Å; L1199-T1203 PolarHBondContact O-N 3.33Å; L1199-T1203 PolarHBondContact O-OG1 3.42Å
1200E87.6Confident86.1Confident127 Ų127103.4 Ų103.459%0.59354%0.539SS*.Hα-helixtrans-63.8-37.5172.5-73-175.1146.800111.5V1196 S1204V1196-E1200 HydrophobicContact CG1-CG 4.18Å; V1196-E1200 WeakPolarHBondContact O-CG 3.32Å; V1196-E1200 PolarHBondContact O-N 2.8Å; E1200-S1204 WeakPolarHBondContact O-CB 3.49Å; E1200-S1204 PolarHBondContact O-N 3.28Å; E1200-S1204 PolarHBondContact O-OG 3.24Å
1201K88.4Confident85.9Confident127 Ų127102 Ų10255%0.55253%0.534SS*.Hα-helixtrans-68.7-48.7176.1-168.3172.5-179.8-68.30111.9S1197 C1198 L1199 T1203 S1204 E1205S1197-K1201 WeakPolarHBondContact O-CB 3.46Å; S1197-K1201 PolarHBondContact O-N 3.34Å; C1198-K1201 WeakPolarHBondContact O-CB 3.44Å; C1198-K1201 PolarHBondContact O-N 3.24Å; L1199-K1201 VanDerWaalsContact C-N 3.3Å; K1201-T1203 VanDerWaalsContact C-N 3.32Å; K1201-T1203 PolarHBondContact O-N 3.13Å; K1201-S1204 WeakPolarHBondContact O-CB 3.46Å; K1201-S1204 PolarHBondContact O-N 2.74Å; K1201-S1204 VanDerWaalsContact O-N 3.13Å; K1201-E1205 IonicContact NZ-OE1 2.66Å; K1201-E1205 PolarHBondContact NZ-OE1 2.84Å; K1201-E1205 WeakPolarHBondContact O-CG 3.41Å; K1201-E1205 PolarHBondContact O-N 3.34Å
1202E87.3Confident85.7Confident115 Ų115100.3 Ų100.354%0.53753%0.526SS..Hα-helixtrans-57.5-44.3172.8-76.7-169132.900111.8C1198 S1204 E1205 L1206C1198-E1202 PolarHBondContact O-N 3.49Å; E1202-S1204 PolarHBondContact O-N 2.91Å; E1202-E1205 PolarHBondContact O-N 3.27Å; E1202-L1206 WeakPolarHBondContact O-CB 3.33Å; E1202-L1206 PolarHBondContact O-N 3.42Å
1203T80.9Confident85.7Confident86 Ų86101.3 Ų101.353%0.52853%0.528SS..Hα-helixtrans-62.3-33.7178.1-58.70000112L1199 K1201 K1207L1199-T1203 VanDerWaalsContact O-CB 3.26Å; L1199-T1203 WeakPolarHBondContact O-CB 3.19Å; L1199-T1203 PolarHBondContact O-N 3.33Å; L1199-T1203 PolarHBondContact O-OG1 3.42Å; K1201-T1203 VanDerWaalsContact C-N 3.32Å; K1201-T1203 PolarHBondContact O-N 3.13Å; T1203-K1207 WeakPolarHBondContact O-CB 3.32Å; T1203-K1207 PolarHBondContact O-N 3.48Å; T1203-K1207 VanDerWaalsContact O-N 3.11Å
1204S81Confident85.5Confident73 Ų7399.8 Ų99.851%0.5152%0.519SS..Hα-helixtrans-73.5-43.5176.3-59.70000111.9E1200 K1201 E1202 K1207 E1208E1200-S1204 WeakPolarHBondContact O-CB 3.49Å; E1200-S1204 PolarHBondContact O-N 3.28Å; E1200-S1204 PolarHBondContact O-OG 3.24Å; K1201-S1204 WeakPolarHBondContact O-CB 3.46Å; K1201-S1204 PolarHBondContact O-N 2.74Å; K1201-S1204 VanDerWaalsContact O-N 3.13Å; E1202-S1204 PolarHBondContact O-N 2.91Å; S1204-K1207 WeakPolarHBondContact O-CB 3.44Å; S1204-K1207 PolarHBondContact O-N 2.9Å; S1204-E1208 PolarHBondContact O-N 3Å
1205E86.7Confident85.4Confident99 Ų9998 Ų9846%0.46351%0.512SS..Hα-helixtrans-64.5-40.1176-71.9173.9-167.500111.8K1201 E1202 E1208 A1209K1201-E1205 IonicContact NZ-OE1 2.66Å; K1201-E1205 PolarHBondContact NZ-OE1 2.84Å; K1201-E1205 WeakPolarHBondContact O-CG 3.41Å; K1201-E1205 PolarHBondContact O-N 3.34Å; E1202-E1205 PolarHBondContact O-N 3.27Å; E1205-E1208 PolarHBondContact O-N 3.35Å; E1205-A1209 VanDerWaalsContact O-CB 3.3Å; E1205-A1209 WeakPolarHBondContact O-CB 3.43Å; E1205-A1209 PolarHBondContact O-N 3.25Å
1206L86.4Confident85.2Confident125 Ų12597.5 Ų97.565%0.65451%0.509SS*.Hα-helixtrans-62.5-38.9171.4-90.5153.8000112.6E1202 M1210E1202-L1206 WeakPolarHBondContact O-CB 3.33Å; E1202-L1206 PolarHBondContact O-N 3.42Å; L1206-M1210 WeakPolarHBondContact O-CB 3.39Å; L1206-M1210 PolarHBondContact O-N 3.18Å
1207K84.7Confident84.8Confident148 Ų14897.2 Ų97.264%0.64350%0.504SS*.Hα-helixtrans-63.4-47.3173.1-104.2179.2177173.80111.8T1203 S1204 M1210 E1211T1203-K1207 WeakPolarHBondContact O-CB 3.32Å; T1203-K1207 PolarHBondContact O-N 3.48Å; T1203-K1207 VanDerWaalsContact O-N 3.11Å; S1204-K1207 WeakPolarHBondContact O-CB 3.44Å; S1204-K1207 PolarHBondContact O-N 2.9Å; K1207-M1210 PolarHBondContact O-N 3.39Å; K1207-E1211 PolarHBondContact O-N 3.04Å
1208E84Confident84.7Confident119 Ų11998.3 Ų98.356%0.55651%0.505SS*.Hα-helixtrans-64.3-43.2178.7-159.7-161131.800110.9S1204 E1205 M1210 E1211 Q1212S1204-E1208 PolarHBondContact O-N 3Å; E1205-E1208 PolarHBondContact O-N 3.35Å; E1208-M1210 VanDerWaalsContact C-N 3.32Å; E1208-M1210 PolarHBondContact O-N 3.47Å; E1208-E1211 PolarHBondContact O-N 2.83Å; E1208-Q1212 WeakPolarHBondContact O-CB 3.35Å; E1208-Q1212 WeakPolarHBondContact O-CG 3.31Å; E1208-Q1212 PolarHBondContact O-N 2.85Å; E1208-Q1212 PolarHBondContact OE1-NE2 3.27Å
1209A84.6Confident84.7Confident55 Ų5598.4 Ų98.446%0.45550%0.5SS..Hα-helixtrans-59.6-41.2174.600000112.1E1205 Q1213E1205-A1209 VanDerWaalsContact O-CB 3.3Å; E1205-A1209 WeakPolarHBondContact O-CB 3.43Å; E1205-A1209 PolarHBondContact O-N 3.25Å; A1209-Q1213 VanDerWaalsContact O-CB 3.25Å; A1209-Q1213 WeakPolarHBondContact O-CB 3.47Å; A1209-Q1213 PolarHBondContact O-N 2.91Å
1210M84.6Confident84.7Confident101 Ų10198.7 Ų98.750%0.49850%0.502SS..Hα-helixtrans-65.5-43.2175.8-168.2-159.269.800112.1L1206 K1207 E1208 Q1213 K1214L1206-M1210 WeakPolarHBondContact O-CB 3.39Å; L1206-M1210 PolarHBondContact O-N 3.18Å; K1207-M1210 PolarHBondContact O-N 3.39Å; E1208-M1210 VanDerWaalsContact C-N 3.32Å; E1208-M1210 PolarHBondContact O-N 3.47Å; M1210-Q1213 PolarHBondContact O-N 3.12Å; M1210-K1214 HydrophobicContact CE-CD 4.37Å; M1210-K1214 PolarHBondContact O-N 2.69Å
1211E82.5Confident84.5Confident102 Ų102100.5 Ų100.548%0.47750%0.503SS..Hα-helixtrans-74.5-35.2-179.3-14665.7-150.100111.9K1207 E1208 Q1213 K1214 G1215K1207-E1211 PolarHBondContact O-N 3.04Å; E1208-E1211 PolarHBondContact O-N 2.83Å; E1211-Q1213 VanDerWaalsContact C-N 3.29Å; E1211-Q1213 PolarHBondContact O-N 3Å; E1211-K1214 PolarHBondContact O-N 2.96Å; E1211-K1214 WeakPolarHBondContact OE1-CD 3.33Å; E1211-K1214 IonicContact OE1-NZ 3.46Å; E1211-K1214 PolarHBondContact OE1-NZ 2.86Å; E1211-K1214 WeakPolarHBondContact OE2-CD 3.47Å; E1211-K1214 WeakPolarHBondContact OE2-CE 3.48Å; E1211-K1214 IonicContact OE2-NZ 3.22Å; E1211-K1214 PolarHBondContact OE2-NZ 3.48Å; E1211-G1215 PolarHBondContact O-N 2.98Å
1212Q83Confident84.2Confident89 Ų8998.8 Ų98.842%0.41650%0.497SS..Hα-helixtrans-58.4-40.9165.2-77.8-165.827.400111.3E1208 G1215 K1216E1208-Q1212 WeakPolarHBondContact O-CB 3.35Å; E1208-Q1212 WeakPolarHBondContact O-CG 3.31Å; E1208-Q1212 PolarHBondContact O-N 2.85Å; E1208-Q1212 PolarHBondContact OE1-NE2 3.27Å; Q1212-G1215 PolarHBondContact O-N 3.45Å; Q1212-K1216 WeakPolarHBondContact O-CB 3.44Å; Q1212-K1216 WeakPolarHBondContact O-CD 3.29Å; Q1212-K1216 WeakPolarHBondContact O-CG 3.39Å; Q1212-K1216 PolarHBondContact O-N 3.13Å
1213Q84.7Confident84.1Confident120 Ų12099.2 Ų99.256%0.56150%0.497SS*.Hα-helixtrans-72.4-36.6-179.1-169.667.3-8.500112.2A1209 M1210 E1211 N1217A1209-Q1213 VanDerWaalsContact O-CB 3.25Å; A1209-Q1213 WeakPolarHBondContact O-CB 3.47Å; A1209-Q1213 PolarHBondContact O-N 2.91Å; M1210-Q1213 PolarHBondContact O-N 3.12Å; E1211-Q1213 VanDerWaalsContact C-N 3.29Å; E1211-Q1213 PolarHBondContact O-N 3Å; Q1213-N1217 VanDerWaalsContact O-CB 3.26Å; Q1213-N1217 WeakPolarHBondContact O-CB 3.4Å; Q1213-N1217 PolarHBondContact O-N 3.02Å
1214K84.6Confident84.2Confident108 Ų108100.1 Ų100.147%0.4750%0.498SS..Hα-helixtrans-59.2-48165.4-81.5169168.2177.10111.3M1210 E1211 N1217 N1218M1210-K1214 HydrophobicContact CE-CD 4.37Å; M1210-K1214 PolarHBondContact O-N 2.69Å; E1211-K1214 PolarHBondContact O-N 2.96Å; E1211-K1214 WeakPolarHBondContact OE1-CD 3.33Å; E1211-K1214 IonicContact OE1-NZ 3.46Å; E1211-K1214 PolarHBondContact OE1-NZ 2.86Å; E1211-K1214 WeakPolarHBondContact OE2-CD 3.47Å; E1211-K1214 WeakPolarHBondContact OE2-CE 3.48Å; E1211-K1214 IonicContact OE2-NZ 3.22Å; E1211-K1214 PolarHBondContact OE2-NZ 3.48Å; K1214-N1217 CarbonylContact O-C 3.53Å; K1214-N1217 PolarHBondContact O-N 3.47Å; K1214-N1217 VanDerWaalsContact O-N 3.13Å; K1214-N1218 WeakPolarHBondContact O-CB 3.36Å; K1214-N1218 PolarHBondContact O-N 3.26Å
1215G83.1Confident84.1Confident35 Ų35105.3 Ų105.336%0.36151%0.507SS..Hα-helixtrans-54.3-55.217700000111.1E1211 Q1212 N1217 N1218 D1219E1211-G1215 PolarHBondContact O-N 2.98Å; Q1212-G1215 PolarHBondContact O-N 3.45Å; G1215-N1217 VanDerWaalsContact C-N 3.29Å; G1215-N1217 PolarHBondContact O-N 3.34Å; G1215-N1218 PolarHBondContact O-N 2.72Å; G1215-N1218 VanDerWaalsContact O-N 3.1Å; G1215-D1219 WeakPolarHBondContact O-CB 3.16Å; G1215-D1219 PolarHBondContact O-N 2.9Å
1216K84.9Confident84Confident104 Ų104106.4 Ų106.445%0.45251%0.51SS..Hα-helixtrans-56-38.5174.6-68.6159.4-165.4166.80112.6Q1212 L1220Q1212-K1216 WeakPolarHBondContact O-CB 3.44Å; Q1212-K1216 WeakPolarHBondContact O-CD 3.29Å; Q1212-K1216 WeakPolarHBondContact O-CG 3.39Å; Q1212-K1216 PolarHBondContact O-N 3.13Å; K1216-L1220 WeakPolarHBondContact O-CB 3.11Å; K1216-L1220 PolarHBondContact O-N 2.73Å
1217N81.6Confident83.7Confident68 Ų68103.1 Ų103.136%0.36450%0.501SS..Hα-helixtrans-72.3-36177.3-161.4-97.9000112.4Q1213 K1214 G1215 L1220 R1221Q1213-N1217 VanDerWaalsContact O-CB 3.26Å; Q1213-N1217 WeakPolarHBondContact O-CB 3.4Å; Q1213-N1217 PolarHBondContact O-N 3.02Å; K1214-N1217 CarbonylContact O-C 3.53Å; K1214-N1217 PolarHBondContact O-N 3.47Å; K1214-N1217 VanDerWaalsContact O-N 3.13Å; G1215-N1217 VanDerWaalsContact C-N 3.29Å; G1215-N1217 PolarHBondContact O-N 3.34Å; N1217-L1220 PolarHBondContact O-N 2.87Å; N1217-R1221 VanDerWaalsContact O-CG 3.31Å; N1217-R1221 WeakPolarHBondContact O-CG 3.5Å; N1217-R1221 PolarHBondContact O-N 3.25Å; N1217-R1221 VanDerWaalsContact OD1-CZ 3.26Å; N1217-R1221 PolarHBondContact OD1-NE 3.28Å; N1217-R1221 PolarHBondContact OD1-NH2 2.89Å
1218N86.1Confident83.3Confident97 Ų97103 Ų10352%0.51950%0.504SS..Hα-helixtrans-70.9-44175.6-156.861.8000110.7K1214 G1215 L1220 R1221 E1222K1214-N1218 WeakPolarHBondContact O-CB 3.36Å; K1214-N1218 PolarHBondContact O-N 3.26Å; G1215-N1218 PolarHBondContact O-N 2.72Å; G1215-N1218 VanDerWaalsContact O-N 3.1Å; N1218-L1220 VanDerWaalsContact C-N 3.27Å; N1218-L1220 PolarHBondContact O-N 2.89Å; N1218-R1221 PolarHBondContact O-N 3.28Å; N1218-R1221 VanDerWaalsContact O-N 3.1Å; N1218-E1222 WeakPolarHBondContact O-CB 3.24Å; N1218-E1222 PolarHBondContact O-N 2.9Å
1219D86.8Confident83.1Confident77 Ų77102.2 Ų102.241%0.41250%0.501SS..Hα-helixtrans-52.2-44.9167.4-112.847.8000111.3G1215 K1223G1215-D1219 WeakPolarHBondContact O-CB 3.16Å; G1215-D1219 PolarHBondContact O-N 2.9Å; D1219-K1223 WeakPolarHBondContact O-CB 3.36Å; D1219-K1223 VanDerWaalsContact O-CD 3.32Å; D1219-K1223 WeakPolarHBondContact O-CD 3.38Å; D1219-K1223 WeakPolarHBondContact O-CG 3.49Å; D1219-K1223 PolarHBondContact O-N 2.71Å; D1219-K1223 VanDerWaalsContact OD2-CE 3.25Å; D1219-K1223 WeakPolarHBondContact OD2-CE 3.34Å; D1219-K1223 IonicContact OD2-NZ 2.69Å; D1219-K1223 PolarHBondContact OD2-NZ 3.21Å
1220L84.2Confident82.7Confident98 Ų98102.2 Ų102.251%0.51350%0.501SS..Hα-helixtrans-68.3-34.8177.2-94.3163.8000113.2K1216 N1217 N1218 N1224K1216-L1220 WeakPolarHBondContact O-CB 3.11Å; K1216-L1220 PolarHBondContact O-N 2.73Å; N1217-L1220 PolarHBondContact O-N 2.87Å; N1218-L1220 VanDerWaalsContact C-N 3.27Å; N1218-L1220 PolarHBondContact O-N 2.89Å; L1220-N1224 VanDerWaalsContact O-CB 3.28Å; L1220-N1224 WeakPolarHBondContact O-CB 3.47Å; L1220-N1224 PolarHBondContact O-N 3.44Å; L1220-N1224 PolarHBondContact O-ND2 2.84Å
1221R84.4Confident82.4Confident164 Ų164101.9 Ų101.962%0.61950%0.501SS*.Hα-helixtrans-70.4-43.7173.8-71.9171.9-157.6-157.43.9111.3N1217 N1218 N1224 W1225N1217-R1221 VanDerWaalsContact O-CG 3.31Å; N1217-R1221 WeakPolarHBondContact O-CG 3.5Å; N1217-R1221 PolarHBondContact O-N 3.25Å; N1217-R1221 VanDerWaalsContact OD1-CZ 3.26Å; N1217-R1221 PolarHBondContact OD1-NE 3.28Å; N1217-R1221 PolarHBondContact OD1-NH2 2.89Å; N1218-R1221 PolarHBondContact O-N 3.28Å; N1218-R1221 VanDerWaalsContact O-N 3.1Å; R1221-N1224 PolarHBondContact O-N 2.99Å; R1221-W1225 WeakPolarHBondContact O-CB 3.42Å; R1221-W1225 PolarHBondContact O-N 3.36Å
1222E83Confident82.1Confident92 Ų9298.7 Ų98.743%0.4349%0.492SS..Hα-helixtrans-68.4-37.8178.3-162-171.1148.400111.1N1218 W1225 K1226N1218-E1222 WeakPolarHBondContact O-CB 3.24Å; N1218-E1222 PolarHBondContact O-N 2.9Å; E1222-W1225 PolarHBondContact O-N 3.39Å; E1222-K1226 HydrophobicContact CG-CD 4.22Å; E1222-K1226 VanDerWaalsContact O-CB 3.26Å; E1222-K1226 WeakPolarHBondContact O-CB 3.36Å; E1222-K1226 VanDerWaalsContact O-CG 3.32Å; E1222-K1226 WeakPolarHBondContact O-CG 3.25Å; E1222-K1226 PolarHBondContact O-N 3.05Å; E1222-K1226 VanDerWaalsContact OE1-CE 3.31Å; E1222-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1222-K1226 IonicContact OE1-NZ 2.68Å; E1222-K1226 PolarHBondContact OE1-NZ 2.78Å
1223K84Confident81.9Confident124 Ų12499 Ų9954%0.53950%0.496SS..Hα-helixtrans-68.4-39.1171.9-71.4164.5-163.1173.20112.1D1219 A1227D1219-K1223 WeakPolarHBondContact O-CB 3.36Å; D1219-K1223 VanDerWaalsContact O-CD 3.32Å; D1219-K1223 WeakPolarHBondContact O-CD 3.38Å; D1219-K1223 WeakPolarHBondContact O-CG 3.49Å; D1219-K1223 PolarHBondContact O-N 2.71Å; D1219-K1223 VanDerWaalsContact OD2-CE 3.25Å; D1219-K1223 WeakPolarHBondContact OD2-CE 3.34Å; D1219-K1223 IonicContact OD2-NZ 2.69Å; D1219-K1223 PolarHBondContact OD2-NZ 3.21Å; K1223-A1227 WeakPolarHBondContact O-CB 3.43Å; K1223-A1227 PolarHBondContact O-N 3.45Å
1224N82.6Confident81.4Confident104 Ų10496 Ų9656%0.55649%0.491SS*.Hα-helixtrans-67.2-41.8172.2-89.1-76.9000111.9L1220 R1221 A1227 M1228L1220-N1224 VanDerWaalsContact O-CB 3.28Å; L1220-N1224 WeakPolarHBondContact O-CB 3.47Å; L1220-N1224 PolarHBondContact O-N 3.44Å; L1220-N1224 PolarHBondContact O-ND2 2.84Å; R1221-N1224 PolarHBondContact O-N 2.99Å; N1224-A1227 PolarHBondContact O-N 3.09Å; N1224-M1228 WeakPolarHBondContact O-CB 3.45Å; N1224-M1228 PolarHBondContact O-N 2.97Å
1225W79.9Confident80.8Confident183 Ų18396.4 Ų96.469%0.69350%0.495SS*.Hα-helixtrans-60.4-54174.5-177-61.2000110R1221 E1222 A1227 M1228 E1229R1221-W1225 WeakPolarHBondContact O-CB 3.42Å; R1221-W1225 PolarHBondContact O-N 3.36Å; E1222-W1225 PolarHBondContact O-N 3.39Å; W1225-A1227 VanDerWaalsContact C-N 3.29Å; W1225-A1227 PolarHBondContact O-N 2.82Å; W1225-M1228 CarbonylContact O-C 3.57Å; W1225-M1228 PolarHBondContact O-N 2.82Å; W1225-M1228 VanDerWaalsContact O-N 3.11Å; W1225-E1229 VanDerWaalsContact CD1-OE2 3.25Å; W1225-E1229 PolarHBondContact NE1-OE2 2.95Å; W1225-E1229 VanDerWaalsContact O-CB 3.25Å; W1225-E1229 WeakPolarHBondContact O-CB 3.48Å; W1225-E1229 PolarHBondContact O-N 3.31Å
1226K83.9Confident80.4Confident121 Ų121102.2 Ų102.253%0.52651%0.506SS..Hα-helixtrans-61.3-37.4178.7-75.3173.3170.61730112.1E1222 A1230E1222-K1226 HydrophobicContact CG-CD 4.22Å; E1222-K1226 VanDerWaalsContact O-CB 3.26Å; E1222-K1226 WeakPolarHBondContact O-CB 3.36Å; E1222-K1226 VanDerWaalsContact O-CG 3.32Å; E1222-K1226 WeakPolarHBondContact O-CG 3.25Å; E1222-K1226 PolarHBondContact O-N 3.05Å; E1222-K1226 VanDerWaalsContact OE1-CE 3.31Å; E1222-K1226 WeakPolarHBondContact OE1-CE 3.42Å; E1222-K1226 IonicContact OE1-NZ 2.68Å; E1222-K1226 PolarHBondContact OE1-NZ 2.78Å; K1226-A1230 WeakPolarHBondContact O-CB 3.23Å; K1226-A1230 PolarHBondContact O-N 3.44Å
1227A80.2Confident80.1Confident56 Ų5699.1 Ų99.146%0.46350%0.5SS..Hα-helixtrans-68.1-39.7173.700000112K1223 N1224 W1225 L1231K1223-A1227 WeakPolarHBondContact O-CB 3.43Å; K1223-A1227 PolarHBondContact O-N 3.45Å; N1224-A1227 PolarHBondContact O-N 3.09Å; W1225-A1227 VanDerWaalsContact C-N 3.29Å; W1225-A1227 PolarHBondContact O-N 2.82Å; A1227-L1231 WeakPolarHBondContact O-CA 3.35Å; A1227-L1231 WeakPolarHBondContact O-CB 3.35Å; A1227-L1231 PolarHBondContact O-N 3.06Å
1228M77.3Confident79.6Confident145 Ų14599.6 Ų99.671%0.71451%0.508SS*.Hα-helixtrans-80.6-29.9-177.3-166.9171.9-170.800112.5N1224 W1225 A1232N1224-M1228 WeakPolarHBondContact O-CB 3.45Å; N1224-M1228 PolarHBondContact O-N 2.97Å; W1225-M1228 CarbonylContact O-C 3.57Å; W1225-M1228 PolarHBondContact O-N 2.82Å; W1225-M1228 VanDerWaalsContact O-N 3.11Å; M1228-A1232 WeakPolarHBondContact O-CB 3.47Å; M1228-A1232 PolarHBondContact O-N 3.21Å
1229E79.2Confident79Confident103 Ų10399.9 Ų99.948%0.48151%0.506SS..Hα-helixtrans-74.6-43.5169.3-178.3170.1-165.100110.4W1225 L1231 A1232 L1233W1225-E1229 VanDerWaalsContact CD1-OE2 3.25Å; W1225-E1229 PolarHBondContact NE1-OE2 2.95Å; W1225-E1229 VanDerWaalsContact O-CB 3.25Å; W1225-E1229 WeakPolarHBondContact O-CB 3.48Å; W1225-E1229 PolarHBondContact O-N 3.31Å; E1229-L1231 VanDerWaalsContact C-N 3.29Å; E1229-L1231 PolarHBondContact O-N 3.15Å; E1229-A1232 PolarHBondContact O-N 3.32Å; E1229-L1233 HydrophobicContact CG-CD1 4.19Å; E1229-L1233 VanDerWaalsContact O-CB 3.23Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 VanDerWaalsContact O-CG 3.28Å; E1229-L1233 WeakPolarHBondContact O-CG 3.43Å; E1229-L1233 PolarHBondContact O-N 3.03Å
1230A75.6Confident78.5Confident55 Ų55102.5 Ų102.546%0.45552%0.516SS..Hα-helixtrans-65.5-31.8170.500000112K1226 A1234K1226-A1230 WeakPolarHBondContact O-CB 3.23Å; K1226-A1230 PolarHBondContact O-N 3.44Å; A1230-A1234 WeakPolarHBondContact O-CA 3.45Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 3.49Å
1231L77.8Confident78.1Confident94 Ų94104.5 Ų104.549%0.49252%0.52SS..Hα-helixtrans-78.4-34175.8-171.9152.4000111.3A1227 E1229 A1234 E1235A1227-L1231 WeakPolarHBondContact O-CA 3.35Å; A1227-L1231 WeakPolarHBondContact O-CB 3.35Å; A1227-L1231 PolarHBondContact O-N 3.06Å; E1229-L1231 VanDerWaalsContact C-N 3.29Å; E1229-L1231 PolarHBondContact O-N 3.15Å; L1231-A1234 CarbonylContact O-C 3.53Å; L1231-A1234 PolarHBondContact O-N 3.24Å; L1231-E1235 VanDerWaalsContact CD2-CD 3.45Å; L1231-E1235 HydrophobicContact CD2-CG 3.89Å; L1231-E1235 WeakPolarHBondContact O-CA 3.34Å; L1231-E1235 WeakPolarHBondContact O-CB 3.48Å; L1231-E1235 VanDerWaalsContact O-CG 3.26Å; L1231-E1235 WeakPolarHBondContact O-CG 3.49Å; L1231-E1235 PolarHBondContact O-N 2.86Å
1232A76.6Confident77.8Confident36 Ų36101.4 Ų101.430%0.29852%0.515SS..Hα-helixtrans-74.4-33.7172.200000112.5M1228 E1229 R1236M1228-A1232 WeakPolarHBondContact O-CB 3.47Å; M1228-A1232 PolarHBondContact O-N 3.21Å; E1229-A1232 PolarHBondContact O-N 3.32Å; A1232-R1236 VanDerWaalsContact O-CB 3.28Å; A1232-R1236 WeakPolarHBondContact O-CB 3.37Å; A1232-R1236 PolarHBondContact O-N 3.32Å
1233L79.8Confident77.4Confident95 Ų95104.7 Ų104.750%0.49752%0.524SS..Hα-helixtrans-70.2-40.1168.4-74.9170.2000110.8E1229 A1237E1229-L1233 HydrophobicContact CG-CD1 4.19Å; E1229-L1233 VanDerWaalsContact O-CB 3.23Å; E1229-L1233 WeakPolarHBondContact O-CB 3.38Å; E1229-L1233 VanDerWaalsContact O-CG 3.28Å; E1229-L1233 WeakPolarHBondContact O-CG 3.43Å; E1229-L1233 PolarHBondContact O-N 3.03Å; L1233-A1237 WeakPolarHBondContact O-CA 3.42Å; L1233-A1237 WeakPolarHBondContact O-CB 3.45Å; L1233-A1237 PolarHBondContact O-N 3.18Å
1234A74.7Confident76.8Confident56 Ų56102 Ų10246%0.46352%0.521SS..Hα-helixtrans-72.1-29.8174.200000112.1A1230 L1231 C1238A1230-A1234 WeakPolarHBondContact O-CA 3.45Å; A1230-A1234 WeakPolarHBondContact O-CB 3.48Å; A1230-A1234 PolarHBondContact O-N 3.49Å; L1231-A1234 CarbonylContact O-C 3.53Å; L1231-A1234 PolarHBondContact O-N 3.24Å; A1234-C1238 VanDerWaalsContact O-CA 3.27Å; A1234-C1238 WeakPolarHBondContact O-CA 3.48Å; A1234-C1238 WeakPolarHBondContact O-CB 3.26Å; A1234-C1238 PolarHBondContact O-N 2.88Å
1235E72Confident76.4Confident118 Ų118102 Ų10255%0.55152%0.52SS*.Hα-helixtrans-73.4-45173.3-85.8-179.5155.100109.8L1231 C1238 E1239L1231-E1235 VanDerWaalsContact CD2-CD 3.45Å; L1231-E1235 HydrophobicContact CD2-CG 3.89Å; L1231-E1235 WeakPolarHBondContact O-CA 3.34Å; L1231-E1235 WeakPolarHBondContact O-CB 3.48Å; L1231-E1235 VanDerWaalsContact O-CG 3.26Å; L1231-E1235 WeakPolarHBondContact O-CG 3.49Å; L1231-E1235 PolarHBondContact O-N 2.86Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 3.2Å; E1235-E1239 VanDerWaalsContact O-CB 3.28Å; E1235-E1239 WeakPolarHBondContact O-CB 3.46Å; E1235-E1239 PolarHBondContact O-N 3.01Å
1236R74.5Confident76.2Confident156 Ų15696.2 Ų96.259%0.58951%0.505SS*.Hα-helixtrans-67.3-42176.1-160.4-178.9-53.8121.110.7111.6A1232 C1238 E1239 E1240A1232-R1236 VanDerWaalsContact O-CB 3.28Å; A1232-R1236 WeakPolarHBondContact O-CB 3.37Å; A1232-R1236 PolarHBondContact O-N 3.32Å; R1236-C1238 VanDerWaalsContact C-N 3.33Å; R1236-E1239 PolarHBondContact O-N 3.26Å; R1236-E1240 VanDerWaalsContact O-CB 3.22Å; R1236-E1240 WeakPolarHBondContact O-CB 3.46Å; R1236-E1240 PolarHBondContact O-N 2.89Å
1237A77.4Confident75.9Confident40 Ų4096.1 Ų96.133%0.33151%0.507SS..Hα-helixtrans-75.9-16.4173.700000113L1233 K1241L1233-A1237 WeakPolarHBondContact O-CA 3.42Å; L1233-A1237 WeakPolarHBondContact O-CB 3.45Å; L1233-A1237 PolarHBondContact O-N 3.18Å; A1237-K1241 WeakPolarHBondContact O-CA 3.29Å; A1237-K1241 WeakPolarHBondContact O-CB 3.4Å; A1237-K1241 WeakPolarHBondContact O-CD 3.4Å; A1237-K1241 WeakPolarHBondContact O-CG 3.28Å; A1237-K1241 PolarHBondContact O-N 2.9Å
1238C71.2Confident75.5Confident77 Ų7795.4 Ų95.452%0.5250%0.501SS..Hα-helixtrans-92.2-16.7168.6-169.60000111.1A1234 E1235 R1236 L1242A1234-C1238 VanDerWaalsContact O-CA 3.27Å; A1234-C1238 WeakPolarHBondContact O-CA 3.48Å; A1234-C1238 WeakPolarHBondContact O-CB 3.26Å; A1234-C1238 PolarHBondContact O-N 2.88Å; E1235-C1238 CarbonylContact O-C 3.59Å; E1235-C1238 PolarHBondContact O-N 3.2Å; R1236-C1238 VanDerWaalsContact C-N 3.33Å; C1238-L1242 VanDerWaalsContact O-CA 3.27Å; C1238-L1242 WeakPolarHBondContact O-CA 3.22Å; C1238-L1242 WeakPolarHBondContact O-CB 3.42Å; C1238-L1242 PolarHBondContact O-N 2.88Å
1239E73.5Confident75.2Confident104 Ų10493.1 Ų93.149%0.48649%0.487SS..Hα-helixtrans-77.9-43.6165.2-99.3-160.8-131.800109.8E1235 R1236 L1242 R1243E1235-E1239 VanDerWaalsContact O-CB 3.28Å; E1235-E1239 WeakPolarHBondContact O-CB 3.46Å; E1235-E1239 PolarHBondContact O-N 3.01Å; R1236-E1239 PolarHBondContact O-N 3.26Å; E1239-L1242 PolarHBondContact O-N 3.42Å; E1239-R1243 WeakPolarHBondContact O-CB 3.34Å; E1239-R1243 VanDerWaalsContact O-CG 3.25Å; E1239-R1243 WeakPolarHBondContact O-CG 3.48Å; E1239-R1243 PolarHBondContact O-N 2.68Å; E1239-R1243 IonicContact OE2-CZ 3.39Å; E1239-R1243 VanDerWaalsContact OE2-CZ 3.23Å; E1239-R1243 IonicContact OE2-NH1 3.49Å; E1239-R1243 PolarHBondContact OE2-NH1 3.48Å; E1239-R1243 IonicContact OE2-NH2 2.67Å; E1239-R1243 PolarHBondContact OE2-NH2 3.32Å
1240E76.1Confident75Confident131 Ų13193.1 Ų93.161%0.61249%0.487SS*.Hα-helixtrans-74.2-38.6177.1-169.9169.3-118.700111.1R1236 S1244R1236-E1240 VanDerWaalsContact O-CB 3.22Å; R1236-E1240 WeakPolarHBondContact O-CB 3.46Å; R1236-E1240 PolarHBondContact O-N 2.89Å; E1240-S1244 VanDerWaalsContact O-CB 3.22Å; E1240-S1244 WeakPolarHBondContact O-CB 3.47Å; E1240-S1244 PolarHBondContact O-N 3.49Å; E1240-S1244 PolarHBondContact O-OG 2.72Å
1241K76.5Confident74.8Confident141 Ų14195 Ų9561%0.61349%0.486SS*.Hα-helixtrans-69.3-42.9163.9-71173-179.7-178.70111.8A1237 R1243 S1244 L1245A1237-K1241 WeakPolarHBondContact O-CA 3.29Å; A1237-K1241 WeakPolarHBondContact O-CB 3.4Å; A1237-K1241 WeakPolarHBondContact O-CD 3.4Å; A1237-K1241 WeakPolarHBondContact O-CG 3.28Å; A1237-K1241 PolarHBondContact O-N 2.9Å; K1241-R1243 PolarHBondContact O-N 2.88Å; K1241-S1244 CarbonylContact O-C 3.58Å; K1241-S1244 PolarHBondContact O-N 2.87Å; K1241-L1245 WeakPolarHBondContact O-CA 3.25Å; K1241-L1245 WeakPolarHBondContact O-CB 3.42Å; K1241-L1245 PolarHBondContact O-N 2.89Å
1242L77.2Confident74.1Confident98 Ų9893.5 Ų93.551%0.51348%0.484SS..Hα-helixtrans-67-25.9177.7-173.267.4000111.4C1238 E1239 T1246C1238-L1242 VanDerWaalsContact O-CA 3.27Å; C1238-L1242 WeakPolarHBondContact O-CA 3.22Å; C1238-L1242 WeakPolarHBondContact O-CB 3.42Å; C1238-L1242 PolarHBondContact O-N 2.88Å; E1239-L1242 PolarHBondContact O-N 3.42Å; L1242-T1246 WeakPolarHBondContact CD1-OG1 3.43Å; L1242-T1246 WeakPolarHBondContact O-CA 3.37Å; L1242-T1246 WeakPolarHBondContact O-CB 3.26Å; L1242-T1246 PolarHBondContact O-N 3.37Å; L1242-T1246 PolarHBondContact O-OG1 3.28Å
1243R74.7Confident73.8Confident162 Ų16295.4 Ų95.461%0.61149%0.486SS*.Hα-helixtrans-68.4-53.6164-73.3176.1-169.5102.35.7110.6E1239 K1241 L1245 T1246 Q1247E1239-R1243 WeakPolarHBondContact O-CB 3.34Å; E1239-R1243 VanDerWaalsContact O-CG 3.25Å; E1239-R1243 WeakPolarHBondContact O-CG 3.48Å; E1239-R1243 PolarHBondContact O-N 2.68Å; E1239-R1243 IonicContact OE2-CZ 3.39Å; E1239-R1243 VanDerWaalsContact OE2-CZ 3.23Å; E1239-R1243 IonicContact OE2-NH1 3.49Å; E1239-R1243 PolarHBondContact OE2-NH1 3.48Å; E1239-R1243 IonicContact OE2-NH2 2.67Å; E1239-R1243 PolarHBondContact OE2-NH2 3.32Å; K1241-R1243 PolarHBondContact O-N 2.88Å; R1243-L1245 VanDerWaalsContact C-N 3.26Å; R1243-L1245 PolarHBondContact O-N 2.99Å; R1243-T1246 PolarHBondContact O-N 3.27Å; R1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; R1243-Q1247 PolarHBondContact O-N 2.88Å
1244S71.8Confident73.3Confident68 Ų6896.8 Ų96.848%0.47649%0.488SS..Hα-helixtrans-70.6-13.8-178.3-51.80000114.9E1240 K1241 A1248E1240-S1244 VanDerWaalsContact O-CB 3.22Å; E1240-S1244 WeakPolarHBondContact O-CB 3.47Å; E1240-S1244 PolarHBondContact O-N 3.49Å; E1240-S1244 PolarHBondContact O-OG 2.72Å; K1241-S1244 CarbonylContact O-C 3.58Å; K1241-S1244 PolarHBondContact O-N 2.87Å; S1244-A1248 WeakPolarHBondContact O-CA 3.46Å; S1244-A1248 WeakPolarHBondContact O-CB 3.46Å; S1244-A1248 PolarHBondContact O-N 3.27Å
1245L75.3Confident73.3Confident102 Ų10299.4 Ų99.453%0.53449%0.491SS..Hα-helixtrans-124-6.1-174.7-170.7143.5000110.3K1241 R1243 K1249K1241-L1245 WeakPolarHBondContact O-CA 3.25Å; K1241-L1245 WeakPolarHBondContact O-CB 3.42Å; K1241-L1245 PolarHBondContact O-N 2.89Å; R1243-L1245 VanDerWaalsContact C-N 3.26Å; R1243-L1245 PolarHBondContact O-N 2.99Å; L1245-K1249 WeakPolarHBondContact O-CA 3.32Å; L1245-K1249 WeakPolarHBondContact O-CB 3.46Å; L1245-K1249 PolarHBondContact O-N 2.99Å
1246T74.8Confident72.9Confident63 Ų6397.9 Ų97.939%0.38749%0.486SS..Hα-helixtrans-83.8-37.9148.9-64.80000108.6L1242 R1243 K1249 E1250L1242-T1246 WeakPolarHBondContact CD1-OG1 3.43Å; L1242-T1246 WeakPolarHBondContact O-CA 3.37Å; L1242-T1246 WeakPolarHBondContact O-CB 3.26Å; L1242-T1246 PolarHBondContact O-N 3.37Å; L1242-T1246 PolarHBondContact O-OG1 3.28Å; R1243-T1246 PolarHBondContact O-N 3.27Å; T1246-K1249 CarbonylContact O-C 3.58Å; T1246-K1249 PolarHBondContact O-N 3.46Å; T1246-E1250 VanDerWaalsContact O-CB 3.28Å; T1246-E1250 WeakPolarHBondContact O-CB 3.38Å; T1246-E1250 PolarHBondContact O-N 3.39Å
1247Q77.2Confident72.9Confident118 Ų11896.4 Ų96.455%0.55149%0.486SS*.Hα-helixtrans-62.6-52.5165.2-176.9178.2-13.600110.5R1243 K1249 E1250 E1251R1243-Q1247 WeakPolarHBondContact O-CB 3.49Å; R1243-Q1247 PolarHBondContact O-N 2.88Å; Q1247-K1249 VanDerWaalsContact C-N 3.29Å; Q1247-K1249 PolarHBondContact O-N 2.95Å; Q1247-E1250 CarbonylContact O-C 3.52Å; Q1247-E1250 WeakPolarHBondContact O-CB 3.27Å; Q1247-E1250 PolarHBondContact O-N 3.44Å; Q1247-E1250 VanDerWaalsContact O-N 3.13Å; Q1247-E1251 VanDerWaalsContact CG-OE1 3.27Å; Q1247-E1251 WeakPolarHBondContact CG-OE1 3.21Å; Q1247-E1251 PolarHBondContact NE2-OE1 3.02Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.3Å; Q1247-E1251 WeakPolarHBondContact O-CG 3.3Å; Q1247-E1251 PolarHBondContact O-N 2.89Å
1248A71.6Confident72.7Confident41 Ų4198.5 Ų98.534%0.33949%0.491SS..Hα-helixtrans-79.70.5174.700000114.5S1244 S1252S1244-A1248 WeakPolarHBondContact O-CA 3.46Å; S1244-A1248 WeakPolarHBondContact O-CB 3.46Å; S1244-A1248 PolarHBondContact O-N 3.27Å; A1248-S1252 VanDerWaalsContact O-CA 3.28Å; A1248-S1252 WeakPolarHBondContact O-CA 3.49Å; A1248-S1252 WeakPolarHBondContact O-CB 3.4Å; A1248-S1252 PolarHBondContact O-N 3.41Å
1249K72.3Confident72.3Confident97 Ų9796.6 Ų96.642%0.42248%0.481SS..Hα-helixtrans-92-27.2159172.1-176.4178.3-65.60110.4L1245 T1246 Q1247 S1252 E1253L1245-K1249 WeakPolarHBondContact O-CA 3.32Å; L1245-K1249 WeakPolarHBondContact O-CB 3.46Å; L1245-K1249 PolarHBondContact O-N 2.99Å; T1246-K1249 CarbonylContact O-C 3.58Å; T1246-K1249 PolarHBondContact O-N 3.46Å; Q1247-K1249 VanDerWaalsContact C-N 3.29Å; Q1247-K1249 PolarHBondContact O-N 2.95Å; K1249-S1252 CarbonylContact O-C 3.51Å; K1249-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1249-E1253 VanDerWaalsContact CG-CD 3.5Å; K1249-E1253 HydrophobicContact CG-CG 3.87Å; K1249-E1253 WeakPolarHBondContact CG-OE2 3.43Å; K1249-E1253 IonicContact NZ-OE1 2.71Å; K1249-E1253 PolarHBondContact NZ-OE1 2.93Å; K1249-E1253 IonicContact NZ-OE2 2.68Å; K1249-E1253 PolarHBondContact NZ-OE2 3.27Å; K1249-E1253 WeakPolarHBondContact O-CA 3.43Å; K1249-E1253 WeakPolarHBondContact O-CB 3.32Å; K1249-E1253 WeakPolarHBondContact O-CG 3.49Å; K1249-E1253 PolarHBondContact O-N 3.27Å
1250E74.1Confident71.9Confident103 Ų10394 Ų9448%0.48147%0.469SS..Hα-helixtrans-69.3-45166.2-90.1-164-140.700110.1T1246 Q1247 K1254T1246-E1250 VanDerWaalsContact O-CB 3.28Å; T1246-E1250 WeakPolarHBondContact O-CB 3.38Å; T1246-E1250 PolarHBondContact O-N 3.39Å; Q1247-E1250 CarbonylContact O-C 3.52Å; Q1247-E1250 WeakPolarHBondContact O-CB 3.27Å; Q1247-E1250 PolarHBondContact O-N 3.44Å; Q1247-E1250 VanDerWaalsContact O-N 3.13Å; E1250-K1254 WeakPolarHBondContact O-CB 3.45Å; E1250-K1254 WeakPolarHBondContact O-CD 3.25Å; E1250-K1254 VanDerWaalsContact O-CE 3.26Å; E1250-K1254 WeakPolarHBondContact O-CE 3.4Å; E1250-K1254 WeakPolarHBondContact O-CG 3.19Å; E1250-K1254 PolarHBondContact O-N 3.48Å; E1250-K1254 IonicContact OE2-NZ 2.59Å; E1250-K1254 PolarHBondContact OE2-NZ 2.98Å
1251E71.5Confident71.5Confident96 Ų9690.4 Ų90.445%0.44946%0.461SS..Hα-helixtrans-73.5-33.4174.5-62.9167.6-165.300111.2Q1247 Q1255Q1247-E1251 VanDerWaalsContact CG-OE1 3.27Å; Q1247-E1251 WeakPolarHBondContact CG-OE1 3.21Å; Q1247-E1251 PolarHBondContact NE2-OE1 3.02Å; Q1247-E1251 WeakPolarHBondContact O-CB 3.3Å; Q1247-E1251 WeakPolarHBondContact O-CG 3.3Å; Q1247-E1251 PolarHBondContact O-N 2.89Å; E1251-Q1255 WeakPolarHBondContact O-CA 3.47Å; E1251-Q1255 WeakPolarHBondContact O-CB 3.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.33Å; E1251-Q1255 PolarHBondContact O-N 3.39Å
1252S63.8Low71.2Confident62 Ų6288.2 Ų88.243%0.43445%0.453SS..Hα-helixtrans-88.1-4.5172.1-1640000115A1248 K1249 L1256A1248-S1252 VanDerWaalsContact O-CA 3.28Å; A1248-S1252 WeakPolarHBondContact O-CA 3.49Å; A1248-S1252 WeakPolarHBondContact O-CB 3.4Å; A1248-S1252 PolarHBondContact O-N 3.41Å; K1249-S1252 CarbonylContact O-C 3.51Å; S1252-L1256 VanDerWaalsContact O-CA 3.31Å; S1252-L1256 WeakPolarHBondContact O-CA 3.43Å; S1252-L1256 WeakPolarHBondContact O-CB 3.48Å; S1252-L1256 PolarHBondContact O-N 3.49Å
1253E70.1Confident70.1Confident76 Ų7686.5 Ų86.536%0.35545%0.447SS..Hα-helixtrans-95.3-29.6160.9-74172.3152.600108.8K1249 Q1255 H1257K1249-E1253 WeakPolarHBondContact CE-OE1 3.44Å; K1249-E1253 VanDerWaalsContact CG-CD 3.5Å; K1249-E1253 HydrophobicContact CG-CG 3.87Å; K1249-E1253 WeakPolarHBondContact CG-OE2 3.43Å; K1249-E1253 IonicContact NZ-OE1 2.71Å; K1249-E1253 PolarHBondContact NZ-OE1 2.93Å; K1249-E1253 IonicContact NZ-OE2 2.68Å; K1249-E1253 PolarHBondContact NZ-OE2 3.27Å; K1249-E1253 WeakPolarHBondContact O-CA 3.43Å; K1249-E1253 WeakPolarHBondContact O-CB 3.32Å; K1249-E1253 WeakPolarHBondContact O-CG 3.49Å; K1249-E1253 PolarHBondContact O-N 3.27Å; E1253-Q1255 VanDerWaalsContact C-N 3.29Å; E1253-H1257 WeakPolarHBondContact O-CA 3.43Å; E1253-H1257 WeakPolarHBondContact O-CB 3.38Å; E1253-H1257 PolarHBondContact O-CD2 2.67Å; E1253-H1257 PolarHBondContact O-N 2.86Å
1254K69.2Low69.9Low123 Ų12381.4 Ų81.454%0.53543%0.429SS..Hα-helixtrans-60.4-43.2161.1-69.9154.8-150.6169.10109.4E1250 L1258E1250-K1254 WeakPolarHBondContact O-CB 3.45Å; E1250-K1254 WeakPolarHBondContact O-CD 3.25Å; E1250-K1254 VanDerWaalsContact O-CE 3.26Å; E1250-K1254 WeakPolarHBondContact O-CE 3.4Å; E1250-K1254 WeakPolarHBondContact O-CG 3.19Å; E1250-K1254 PolarHBondContact O-N 3.48Å; E1250-K1254 IonicContact OE2-NZ 2.59Å; E1250-K1254 PolarHBondContact OE2-NZ 2.98Å; K1254-L1258 WeakPolarHBondContact O-CB 3.31Å; K1254-L1258 PolarHBondContact O-N 2.83Å
1255Q73.9Confident69.3Low112 Ų11284.8 Ų84.852%0.52344%0.437SS..Hα-helixtrans-87.8-14.4177.7-66.3-82.535.300115.2E1251 E1253 L1258 A1259E1251-Q1255 WeakPolarHBondContact O-CA 3.47Å; E1251-Q1255 WeakPolarHBondContact O-CB 3.49Å; E1251-Q1255 WeakPolarHBondContact O-CG 3.33Å; E1251-Q1255 PolarHBondContact O-N 3.39Å; E1253-Q1255 VanDerWaalsContact C-N 3.29Å; Q1255-L1258 VanDerWaalsContact OE1-CD2 3.23Å; Q1255-A1259 WeakPolarHBondContact O-CA 3.39Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.47Å; Q1255-A1259 PolarHBondContact O-N 3.28Å
1256L64.3Low68.4Low85 Ų8583.3 Ų83.345%0.44543%0.433SS..Hα-helixtrans-100.5-14.1169.1-171.7135.7000111.9S1252 E1260S1252-L1256 VanDerWaalsContact O-CA 3.31Å; S1252-L1256 WeakPolarHBondContact O-CA 3.43Å; S1252-L1256 WeakPolarHBondContact O-CB 3.48Å; S1252-L1256 PolarHBondContact O-N 3.49Å; L1256-E1260 HydrophobicContact CD2-CG 3.9Å; L1256-E1260 HydrophobicContact CG-CG 4.14Å; L1256-E1260 WeakPolarHBondContact O-CA 3.44Å; L1256-E1260 WeakPolarHBondContact O-CB 3.34Å; L1256-E1260 VanDerWaalsContact O-CG 3.32Å; L1256-E1260 WeakPolarHBondContact O-CG 3.43Å; L1256-E1260 PolarHBondContact O-N 3.37Å
1257H75.5Confident67.4Low126 Ų12682.5 Ų82.558%0.58343%0.426SS*.Hα-helixtrans-76.3-34.8152.2-65.5-48000110.3E1253 A1261E1253-H1257 WeakPolarHBondContact O-CA 3.43Å; E1253-H1257 WeakPolarHBondContact O-CB 3.38Å; E1253-H1257 PolarHBondContact O-CD2 2.67Å; E1253-H1257 PolarHBondContact O-N 2.86Å; H1257-A1261 WeakPolarHBondContact O-CA 3.3Å; H1257-A1261 WeakPolarHBondContact O-CB 3.48Å; H1257-A1261 PolarHBondContact O-N 2.97Å
1258L72.8Confident67Low83 Ų8380.3 Ų80.344%0.43542%0.417SS..Hα-helixtrans-69.5-37.5169.4-157.276.8000112K1254 Q1255 Q1262K1254-L1258 WeakPolarHBondContact O-CB 3.31Å; K1254-L1258 PolarHBondContact O-N 2.83Å; Q1255-L1258 VanDerWaalsContact OE1-CD2 3.23Å; L1258-Q1262 VanDerWaalsContact O-CB 3.22Å; L1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; L1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; L1258-Q1262 PolarHBondContact O-N 2.88Å
1259A61.6Low66.2Low38 Ų3881.7 Ų81.731%0.31443%0.429SS..Hα-helixtrans-91.7-18.1-179.700000114.1Q1255 T1263Q1255-A1259 WeakPolarHBondContact O-CA 3.39Å; Q1255-A1259 WeakPolarHBondContact O-CB 3.47Å; Q1255-A1259 PolarHBondContact O-N 3.28Å; A1259-T1263 VanDerWaalsContact O-CA 3.3Å; A1259-T1263 WeakPolarHBondContact O-CA 3.41Å; A1259-T1263 WeakPolarHBondContact O-CB 3.38Å; A1259-T1263 PolarHBondContact O-N 3.28Å; A1259-T1263 PolarHBondContact O-OG1 2.84Å
1260E65.2Low65.3Low49 Ų4983 Ų8323%0.22944%0.44CS..Hα-helixtrans-78.4-30.6156.4-77.4-164.9173.400110.6L1256 K1264L1256-E1260 HydrophobicContact CD2-CG 3.9Å; L1256-E1260 HydrophobicContact CG-CG 4.14Å; L1256-E1260 WeakPolarHBondContact O-CA 3.44Å; L1256-E1260 WeakPolarHBondContact O-CB 3.34Å; L1256-E1260 VanDerWaalsContact O-CG 3.32Å; L1256-E1260 WeakPolarHBondContact O-CG 3.43Å; L1256-E1260 PolarHBondContact O-N 3.37Å; E1260-K1264 HydrophobicContact CB-CD 4.23Å; E1260-K1264 WeakPolarHBondContact O-CA 3.41Å; E1260-K1264 WeakPolarHBondContact O-CB 3.39Å; E1260-K1264 WeakPolarHBondContact O-CD 3.44Å; E1260-K1264 WeakPolarHBondContact O-CG 3.39Å; E1260-K1264 PolarHBondContact O-N 3.16Å; E1260-K1264 WeakPolarHBondContact OE2-CE 3.5Å; E1260-K1264 IonicContact OE2-NZ 2.69Å; E1260-K1264 PolarHBondContact OE2-NZ 2.91Å
1261A68.1Low64.2Low55 Ų5582.4 Ų82.446%0.45544%0.439SS..Hα-helixtrans-61.4-54.3168.200000109.2H1257 T1263 K1264 E1265H1257-A1261 WeakPolarHBondContact O-CA 3.3Å; H1257-A1261 WeakPolarHBondContact O-CB 3.48Å; H1257-A1261 PolarHBondContact O-N 2.97Å; A1261-T1263 PolarHBondContact O-N 2.64Å; A1261-K1264 PolarHBondContact O-N 3.4Å; A1261-E1265 WeakPolarHBondContact O-CB 3.35Å; A1261-E1265 PolarHBondContact O-N 2.98Å
1262Q70Confident63.2Low96 Ų9682.4 Ų82.445%0.44945%0.448SS..Hα-helixtrans-68.8-30.1178.5-72.7174.1-11.300113.6L1258 E1265 T1266L1258-Q1262 VanDerWaalsContact O-CB 3.22Å; L1258-Q1262 WeakPolarHBondContact O-CB 3.45Å; L1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; L1258-Q1262 PolarHBondContact O-N 2.88Å; Q1262-E1265 CarbonylContact O-C 3.57Å; Q1262-T1266 WeakPolarHBondContact O-CA 3.42Å; Q1262-T1266 WeakPolarHBondContact O-CB 3.26Å; Q1262-T1266 PolarHBondContact O-N 3.07Å; Q1262-T1266 PolarHBondContact O-OG1 2.93Å
1263T55.1Low62.7Low61 Ų6183.1 Ų83.137%0.37447%0.465SS..Hα-helixtrans-90.4-20.8177.2-530000112.5A1259 A1261 L1267A1259-T1263 VanDerWaalsContact O-CA 3.3Å; A1259-T1263 WeakPolarHBondContact O-CA 3.41Å; A1259-T1263 WeakPolarHBondContact O-CB 3.38Å; A1259-T1263 PolarHBondContact O-N 3.28Å; A1259-T1263 PolarHBondContact O-OG1 2.84Å; A1261-T1263 PolarHBondContact O-N 2.64Å; T1263-L1267 HydrophobicContact CG2-CD1 3.81Å; T1263-L1267 HydrophobicContact CG2-CG 3.92Å; T1263-L1267 WeakPolarHBondContact O-CA 3.24Å; T1263-L1267 WeakPolarHBondContact O-CB 3.28Å; T1263-L1267 PolarHBondContact O-N 2.86Å
1264K69.7Low61.9Low55 Ų5583.1 Ų83.124%0.23947%0.467CS..Hα-helixtrans-71.4-46.1160.3-68.6164.8172.4167.60108E1260 A1261 T1266 L1268 Q1280E1260-K1264 HydrophobicContact CB-CD 4.23Å; E1260-K1264 WeakPolarHBondContact O-CA 3.41Å; E1260-K1264 WeakPolarHBondContact O-CB 3.39Å; E1260-K1264 WeakPolarHBondContact O-CD 3.44Å; E1260-K1264 WeakPolarHBondContact O-CG 3.39Å; E1260-K1264 PolarHBondContact O-N 3.16Å; E1260-K1264 WeakPolarHBondContact OE2-CE 3.5Å; E1260-K1264 IonicContact OE2-NZ 2.69Å; E1260-K1264 PolarHBondContact OE2-NZ 2.91Å; A1261-K1264 PolarHBondContact O-N 3.4Å; K1264-T1266 VanDerWaalsContact C-N 3.27Å; K1264-T1266 PolarHBondContact O-N 3.21Å; K1264-L1268 HydrophobicContact CB-CD1 4.37Å; K1264-L1268 WeakPolarHBondContact O-CA 3.31Å; K1264-L1268 WeakPolarHBondContact O-CB 3.4Å; K1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; K1264-L1268 WeakPolarHBondContact O-CG 3.43Å; K1264-L1268 PolarHBondContact O-N 3.49Å; K1264-Q1280 PolarHBondContact NZ-O 3.35Å
1265E59.9Low61Low139 Ų13983 Ų8365%0.6548%0.482SS*.Hα-helixtrans-56.7-34.1170.5-173173-143.900113A1261 Q1262 A1269A1261-E1265 WeakPolarHBondContact O-CB 3.35Å; A1261-E1265 PolarHBondContact O-N 2.98Å; Q1262-E1265 CarbonylContact O-C 3.57Å; E1265-A1269 VanDerWaalsContact O-CB 3.26Å; E1265-A1269 WeakPolarHBondContact O-CB 3.28Å; E1265-A1269 PolarHBondContact O-N 2.89Å
1266T55.1Low60.2Low72 Ų7280.5 Ų80.544%0.44247%0.472SS..Hα-helixtrans-91.6-36.1-179.6-58.30000114Q1262 K1264 A1269 L1270Q1262-T1266 WeakPolarHBondContact O-CA 3.42Å; Q1262-T1266 WeakPolarHBondContact O-CB 3.26Å; Q1262-T1266 PolarHBondContact O-N 3.07Å; Q1262-T1266 PolarHBondContact O-OG1 2.93Å; K1264-T1266 VanDerWaalsContact C-N 3.27Å; K1264-T1266 PolarHBondContact O-N 3.21Å; T1266-A1269 CarbonylContact O-C 3.43Å; T1266-A1269 WeakPolarHBondContact O-CB 3.43Å; T1266-A1269 PolarHBondContact O-N 2.98Å; T1266-L1270 HydrophobicContact CG2-CD1 4.01Å; T1266-L1270 HydrophobicContact CG2-CG 4.39Å; T1266-L1270 WeakPolarHBondContact O-CB 3.45Å; T1266-L1270 WeakPolarHBondContact O-CG 3.48Å; T1266-L1270 PolarHBondContact O-N 3.43Å
1267L54.3Low59.2Low46 Ų4679.8 Ų79.824%0.24147%0.474CS..Hα-helixtrans-76.2-30.4171.9-76.2172.9000111.8T1263 A1269 L1270 L1271 W1285T1263-L1267 HydrophobicContact CG2-CD1 3.81Å; T1263-L1267 HydrophobicContact CG2-CG 3.92Å; T1263-L1267 WeakPolarHBondContact O-CA 3.24Å; T1263-L1267 WeakPolarHBondContact O-CB 3.28Å; T1263-L1267 PolarHBondContact O-N 2.86Å; L1267-A1269 PolarHBondContact O-N 3.24Å; L1267-L1270 HydrophobicContact CD2-CD1 4.16Å; L1267-L1270 PolarHBondContact O-N 3.35Å; L1267-L1271 CarbonylContact O-C 3.6Å; L1267-L1271 WeakPolarHBondContact O-CA 3.5Å; L1267-L1271 PolarHBondContact O-N 2.97Å; L1267-W1285 HydrophobicContact CD1-CH2 3.86Å; L1267-W1285 HydrophobicContact CD1-CZ3 4.26Å
1268L69.8Low58.4Low71 Ų7177.3 Ų77.337%0.37248%0.475SS..Hα-helixtrans-71.4-16.3165.6-61.6168000111.8K1264 P1272 L1274K1264-L1268 HydrophobicContact CB-CD1 4.37Å; K1264-L1268 WeakPolarHBondContact O-CA 3.31Å; K1264-L1268 WeakPolarHBondContact O-CB 3.4Å; K1264-L1268 WeakPolarHBondContact O-CD1 3.48Å; K1264-L1268 WeakPolarHBondContact O-CG 3.43Å; K1264-L1268 PolarHBondContact O-N 3.49Å; L1268-P1272 VanDerWaalsContact O-CA 3.23Å; L1268-P1272 WeakPolarHBondContact O-CA 3.47Å; L1268-P1272 WeakPolarHBondContact O-CB 3.39Å; L1268-P1272 WeakPolarHBondContact O-CG 3.4Å; L1268-L1274 VanDerWaalsContact CD2-O 3.22Å; L1268-L1274 WeakPolarHBondContact CD2-O 3.2Å
1269A53.2Low57.4Low71 Ų7182.3 Ų82.359%0.58750%0.496SS*.Hα-helixtrans-87.2-33.2167.200000113.7E1265 T1266 L1267E1265-A1269 VanDerWaalsContact O-CB 3.26Å; E1265-A1269 WeakPolarHBondContact O-CB 3.28Å; E1265-A1269 PolarHBondContact O-N 2.89Å; T1266-A1269 CarbonylContact O-C 3.43Å; T1266-A1269 WeakPolarHBondContact O-CB 3.43Å; T1266-A1269 PolarHBondContact O-N 2.98Å; L1267-A1269 PolarHBondContact O-N 3.24Å
1270L53.2Low57.2Low123 Ų12385.4 Ų85.464%0.64450%0.503SS*.Hα-helixtrans-81.6-35.6179.3-77.4166.8000113.2T1266 L1267T1266-L1270 HydrophobicContact CG2-CD1 4.01Å; T1266-L1270 HydrophobicContact CG2-CG 4.39Å; T1266-L1270 WeakPolarHBondContact O-CB 3.45Å; T1266-L1270 WeakPolarHBondContact O-CG 3.48Å; T1266-L1270 PolarHBondContact O-N 3.43Å; L1267-L1270 HydrophobicContact CD2-CD1 4.16Å; L1267-L1270 PolarHBondContact O-N 3.35Å
1271L52.7Low57Low91 Ų9188.2 Ų88.248%0.47652%0.52SS..SBendtrans-131.765.8178.6-70.2163.9000110.2L1267 G1273 L1274L1267-L1271 CarbonylContact O-C 3.6Å; L1267-L1271 WeakPolarHBondContact O-CA 3.5Å; L1267-L1271 PolarHBondContact O-N 2.97Å; L1271-G1273 PolarHBondContact O-N 3.33Å; L1271-L1274 HydrophobicContact CB-CD1 3.99Å; L1271-L1274 HydrophobicContact CB-CG 4.37Å; L1271-L1274 HydrophobicContact CD1-CD1 3.91Å; L1271-L1274 HydrophobicContact CG-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.5Å
1272P50.4Low56.6Low97 Ų9791 Ų9163%0.6352%0.52SS*.THydrogen-bonded Turntrans-61.4-14-172.5-21.532.6000115.7L1268 L1274L1268-P1272 VanDerWaalsContact O-CA 3.23Å; L1268-P1272 WeakPolarHBondContact O-CA 3.47Å; L1268-P1272 WeakPolarHBondContact O-CB 3.39Å; L1268-P1272 WeakPolarHBondContact O-CG 3.4Å; P1272-L1274 VanDerWaalsContact C-N 3.35Å
1273G52.7Low56Low77 Ų7789.7 Ų89.779%0.79453%0.525SS*.THydrogen-bonded Turntrans-76.9-15.2173.600000114.7L1271 S1275L1271-G1273 PolarHBondContact O-N 3.33Å; G1273-S1275 PolarHBondContact O-N 2.62Å; G1273-S1275 VanDerWaalsContact O-N 3.13Å
1274L54Low56.8Low76 Ų7695.3 Ų95.340%0.39855%0.547SS..  trans-87.175.4178-72.4176.6000110.9L1268 L1271 P1272 I1276 W1285L1268-L1274 VanDerWaalsContact CD2-O 3.22Å; L1268-L1274 WeakPolarHBondContact CD2-O 3.2Å; L1271-L1274 HydrophobicContact CB-CD1 3.99Å; L1271-L1274 HydrophobicContact CB-CG 4.37Å; L1271-L1274 HydrophobicContact CD1-CD1 3.91Å; L1271-L1274 HydrophobicContact CG-CD1 4.48Å; L1271-L1274 PolarHBondContact O-N 3.5Å; P1272-L1274 VanDerWaalsContact C-N 3.35Å; L1274-I1276 HydrophobicContact CB-CD1 3.94Å; L1274-I1276 HydrophobicContact CB-CG1 4.35Å; L1274-I1276 PolarHBondContact O-N 2.81Å; L1274-W1285 HydrophobicContact CD1-CZ2 4.15Å
1275S50.6Low56.5Low120 Ų12097.5 Ų97.584%0.83955%0.554SS**  trans-71.576.7173.5-164.40000111.3G1273G1273-S1275 PolarHBondContact O-N 2.62Å; G1273-S1275 VanDerWaalsContact O-N 3.13Å
1276I56Low55.8Low60 Ų6095.9 Ų95.931%0.30855%0.549SS..  trans-85.6140.2173-52.9138000107.5L1274 A1278 Q1280 W1285L1274-I1276 HydrophobicContact CB-CD1 3.94Å; L1274-I1276 HydrophobicContact CB-CG1 4.35Å; L1274-I1276 PolarHBondContact O-N 2.81Å; I1276-A1278 PolarHBondContact O-N 2.84Å; I1276-Q1280 HydrophobicContact CG2-CB 4.32Å; I1276-W1285 HydrophobicContact CD1-CZ2 4.21Å
1277S42.9Very low55.9Low70 Ų70101.4 Ų101.449%0.4957%0.57SS.*  trans-62.6131.3-176.6-179.30000111.2H1279 Q1280S1277-H1279 PolarHBondContact O-N 3.4Å; S1277-Q1280 VanDerWaalsContact CB-OE1 3.28Å; S1277-Q1280 WeakPolarHBondContact O-CB 3.5Å; S1277-Q1280 PolarHBondContact O-N 2.84Å
1278A58.8Low56.2Low74 Ų74108.5 Ų108.561%0.61260%0.602SS**THydrogen-bonded Turntrans-65.43-176.300000114.8I1276I1276-A1278 PolarHBondContact O-N 2.84Å
1279H52.3Low55.1Low188 Ų188113.5 Ų113.587%0.8762%0.621SS**THydrogen-bonded Turntrans-122.220.3172.1-82.326.9000113.2S1277S1277-H1279 PolarHBondContact O-N 3.4Å
1280Q57.5Low54.1Low102 Ų102119.3 Ų119.348%0.47763%0.633SS.*  trans-94.8162.7177.1-87.3175.4-43.500115.3K1264 I1276 S1277K1264-Q1280 PolarHBondContact NZ-O 3.35Å; I1276-Q1280 HydrophobicContact CG2-CB 4.32Å; S1277-Q1280 VanDerWaalsContact CB-OE1 3.28Å; S1277-Q1280 WeakPolarHBondContact O-CB 3.5Å; S1277-Q1280 PolarHBondContact O-N 2.84Å
1281N60.8Low53.9Low108 Ų108121.2 Ų121.258%0.57864%0.639SS**  trans-78.7157.1179-169.7-64000112.4A1283N1281-A1283 PolarHBondContact OD1-N 2.99Å
1282Y59.6Low52.1Low114 Ų114125.3 Ų125.345%0.44765%0.653SS.*SBendtrans-96.9-15.2-173.6-167.8-100.7000115.4W1285 L1286Y1282-W1285 HydrophobicContact CE2-CE3 4.14Å; Y1282-W1285 HydrophobicContact CE2-CZ3 4.22Å; Y1282-W1285 WeakPolarHBondContact O-CB 3.31Å; Y1282-L1286 HydrophobicContact CE1-CD1 4.13Å
1283A56.4Low50Low68 Ų68124.5 Ų124.556%0.56266%0.662SS**SBendtrans-91.1-32.8-171.900000114.6N1281 W1285 L1286N1281-A1283 PolarHBondContact OD1-N 2.99Å; A1283-W1285 PolarHBondContact O-N 3.18Å; A1283-W1285 VanDerWaalsContact O-N 3.15Å; A1283-L1286 PolarHBondContact O-N 2.68Å
1284E72Confident48.1Very low179 Ų179127.2 Ų127.284%0.83667%0.669SS**THydrogen-bonded Turntrans-64.9-13.1171.5-63.7-178.6133.400112L1286E1284-L1286 VanDerWaalsContact C-N 3.28Å; E1284-L1286 PolarHBondContact O-N 3.43Å
1285W63.4Low46.1Very low102 Ų102131.8 Ų131.839%0.38669%0.688SS.*THydrogen-bonded Turntrans-80.87.9177.9-161.571.3000113.9L1267 L1274 I1276 Y1282 A1283L1267-W1285 HydrophobicContact CD1-CH2 3.86Å; L1267-W1285 HydrophobicContact CD1-CZ3 4.26Å; L1274-W1285 HydrophobicContact CD1-CZ2 4.15Å; I1276-W1285 HydrophobicContact CD1-CZ2 4.21Å; Y1282-W1285 HydrophobicContact CE2-CE3 4.14Å; Y1282-W1285 HydrophobicContact CE2-CZ3 4.22Å; Y1282-W1285 WeakPolarHBondContact O-CB 3.31Å; A1283-W1285 PolarHBondContact O-N 3.18Å; A1283-W1285 VanDerWaalsContact O-N 3.15Å
1286L45.4Very low44.3Very low105 Ų105132.6 Ų132.655%0.5568%0.682SS.*THydrogen-bonded Turntrans-140-33.8-160.7-105166.1000121.7Y1282 A1283 E1284 E1288Y1282-L1286 HydrophobicContact CE1-CD1 4.13Å; A1283-L1286 PolarHBondContact O-N 2.68Å; E1284-L1286 VanDerWaalsContact C-N 3.28Å; E1284-L1286 PolarHBondContact O-N 3.43Å; L1286-E1288 PolarHBondContact O-N 3.04Å
1287Q57.1Low42.4Very low187 Ų187136.4 Ų136.487%0.87470%0.703SS**  trans-82.110.1-160-173.5158.6-65.500118.5F1289Q1287-F1289 PolarHBondContact O-N 3.4Å
1288E61.6Low41.3Very low196 Ų196142.3 Ų142.392%0.91672%0.719SS**  trans-71.10-169.5-126162.8149.800115.8L1286L1286-E1288 PolarHBondContact O-N 3.04Å
1289F46.4Very low39.7Very low176 Ų176148.6 Ų148.677%0.77273%0.733SS**  000-110.6-93.5000138Q1287Q1287-F1289 PolarHBondContact O-N 3.4Å
1290K31.3Very low38.5Very low193 Ų193145 Ų14584%0.83973%0.727SS**  000-111150.1-171.4171.10130.7K1292K1290-K1292 PolarHBondContact O-NZ 2.85Å; K1290-K1292 VanDerWaalsContact O-NZ 3.17Å
1291E49.8Very low36.9Very low163 Ų163146.2 Ų146.276%0.76274%0.743SS**  000-48.315665.400129.4
1292K15.7Very low35.1Very low176 Ų176147.5 Ų147.577%0.76576%0.755SS**  000-58.8124.2-171.4146.60130.2K1290K1290-K1292 PolarHBondContact O-NZ 2.85Å; K1290-K1292 VanDerWaalsContact O-NZ 3.17Å
1293G6.2Very low33.6Very low80 Ų80149.3 Ų149.383%0.82577%0.772SS**  00000000129
1294S12.4Very low32.4Very low134 Ų134153.9 Ų153.994%0.93778%0.781SS**  000-78.10000128.6
1295E12.9Very low30.3Very low172 Ų172151.3 Ų151.380%0.80478%0.78SS**  000-96.2-73.265.900136.6
1296L12.9Very low28.4Very low138 Ų138153 Ų15372%0.72381%0.808SS**  000-66.7170.6000138.5
1297L14.4Very low27.4Very low140 Ų140157.3 Ų157.373%0.73383%0.827SS**  000-10169.2000136.6
1298K20.1Very low26Very low193 Ų193155.6 Ų155.684%0.83982%0.824SS**  000-60.4152.4-167.4163.90124.5
1299K26.3Very low25Very low206 Ų206153.9 Ų153.990%0.89682%0.82SS**  000-149.6-168.2171.3-171.50130
1300P26Very low24.7Very low114 Ų114151.9 Ų151.974%0.7482%0.822SS**  00050.9-29.5000133.9
1301P25Very low25.3Very low126 Ų126150.9 Ų150.982%0.81883%0.825SS**  00041.7-14.8000126.9
1302T23.3Very low25.5Very low135 Ų135152.9 Ų152.983%0.82883%0.831SS**  000-31.10000119.8
1303L28Very low27Very low153 Ų153152.5 Ų152.580%0.80184%0.836SS**  000-131-179.8000123.2
1304E29.4Very low29.3Very low163 Ų163159.5 Ų159.576%0.76284%0.837SS**  000-60-46.696.500133.6
1305P28.5Very low32.2Very low125 Ų125161.7 Ų161.781%0.81283%0.833SS**  00047-30.4000131.8
1306S24.1Very low34.3Very low138 Ų138157.2 Ų157.297%0.96583%0.825SS**  00069.40000130.9
1307M23.3Very low37Very low196 Ų196158.1 Ų158.197%0.96683%0.826SS**  000154.3-173.5156.900129.8
1308D28.1Very low40.1Very low151 Ų151159.8 Ų159.881%0.80783%0.83SS**  0113.40173.332.5000123.9
1309I40.4Very low42.9Very low160 Ų160155.8 Ų155.882%0.82182%0.822SS**  trans-163.8115.6165-49.2177.6000117.1
1310V41.1Very low45.6Very low134 Ų134153 Ų15381%0.81281%0.812SS**  trans-150.8-42.5163.1-176.30000117.9K1312V1310-K1312 PolarHBondContact O-N 2.97Å; V1310-K1312 VanDerWaalsContact O-N 3.09Å
1311L42.7Very low48.5Very low172 Ų172153.7 Ų153.790%0.90181%0.809SS**G310 helixtrans-70.6-9.3-150.5-77.3166.7000119.7L1313L1311-L1313 PolarHBondContact O-N 3.05Å
1312K54.8Low51Low205 Ų205151.6 Ų151.689%0.89180%0.798SS**G310 helixtrans-83.12.5-163-77.7-170.5173.7-1780117.9V1310V1310-K1312 PolarHBondContact O-N 2.97Å; V1310-K1312 VanDerWaalsContact O-N 3.09Å
1313L46.5Very low53.8Low167 Ų167150.9 Ų150.987%0.87479%0.788SS**G310 helixtrans-92-11.2-164.4-157.963.8000116.2L1311L1311-L1313 PolarHBondContact O-N 3.05Å
1314R55.1Low56.6Low227 Ų227149.1 Ų149.186%0.85778%0.776SS**SBendtrans-90.6-26.2-165.3-170.8172.9-70.3157.60.1116.4A1316R1314-A1316 VanDerWaalsContact C-N 3.31Å; R1314-A1316 PolarHBondContact O-N 2.92Å
1315E72.3Confident59.3Low180 Ų180144.6 Ų144.684%0.84177%0.767SS**THydrogen-bonded Turntrans-75.5-11.9-168.5-67.4176.7119.400115
1316A58.4Low62.1Low78 Ų78143.3 Ų143.365%0.64575%0.75SS**THydrogen-bonded Turntrans-82.4-13.4-166.700000115.9R1314 T1319R1314-A1316 VanDerWaalsContact C-N 3.31Å; R1314-A1316 PolarHBondContact O-N 2.92Å; A1316-T1319 PolarHBondContact O-OG1 3.37Å
1317E69.6Low65.2Low158 Ų158139 Ų13974%0.73872%0.719SS**SBendtrans-92.5-31.8-162.7-152.9166.2-153.700113.6T1319E1317-T1319 PolarHBondContact O-N 2.64Å
1318E78Confident68.5Low175 Ų175133.6 Ų133.682%0.81869%0.694SS**THydrogen-bonded Turntrans-71.9-32.9-174.9-62.3-171.5154.300113.2Q1320E1318-Q1320 PolarHBondContact O-N 2.73Å
1319T80.1Confident71.5Confident109 Ų109133 Ų13367%0.66969%0.687SS**Hα-helixtrans-64.2-22.4-176.445.30000114.2A1316 E1317A1316-T1319 PolarHBondContact O-OG1 3.37Å; E1317-T1319 PolarHBondContact O-N 2.64Å
1320Q83.2Confident73.9Confident148 Ų148132.7 Ų132.769%0.69268%0.676SS**Hα-helixtrans-72-32.7-173.4-172.8172.4-7.900113.2E1318E1318-Q1320 PolarHBondContact O-N 2.73Å
1321N85.9Confident76.4Confident127 Ų127132.6 Ų132.668%0.67966%0.661SS**Hα-helixtrans-76.5-33.2-170.1-74.1-59.2000114L1323N1321-L1323 PolarHBondContact O-N 3.29Å
1322S78.2Confident78.8Confident83 Ų83128.4 Ų128.458%0.5864%0.643SS**Hα-helixtrans-67.2-38.7-177.2-163.30000112.4Q1324 A1325S1322-Q1324 VanDerWaalsContact C-N 3.26Å; S1322-Q1324 PolarHBondContact O-N 3.14Å; S1322-A1325 PolarHBondContact O-N 2.89Å
1323L81.3Confident80.7Confident119 Ų119123 Ų12362%0.62362%0.623SS**Hα-helixtrans-63.8-30.4-176.2-17464.6000113N1321 C1327N1321-L1323 PolarHBondContact O-N 3.29Å; L1323-C1327 PolarHBondContact O-SG 2.92Å
1324Q87.7Confident82.9Confident117 Ų117121 Ų12155%0.54761%0.612SS.*Hα-helixtrans-68.2-36.9-177.9-17760.342.600112.4S1322S1322-Q1324 VanDerWaalsContact C-N 3.26Å; S1322-Q1324 PolarHBondContact O-N 3.14Å
1325A85.9Confident84.6Confident68 Ų68113 Ų11356%0.56260%0.595SS**Hα-helixtrans-71.4-39.1-174.400000113S1322 C1327 D1328S1322-A1325 PolarHBondContact O-N 2.89Å; A1325-C1327 VanDerWaalsContact C-N 3.28Å; A1325-C1327 PolarHBondContact O-N 2.87Å; A1325-D1328 PolarHBondContact O-N 3.48Å
1326E87.4Confident85.6Confident97 Ų97110.7 Ų110.745%0.45358%0.584SS.*Hα-helixtrans-61.7-38.3177.9-61.9-176-176.400111.5D1328 Q1329 Y1330E1326-D1328 VanDerWaalsContact C-N 3.27Å; E1326-D1328 PolarHBondContact O-N 2.89Å; E1326-Q1329 PolarHBondContact O-N 3.48Å; E1326-Q1329 VanDerWaalsContact O-N 3.09Å; E1326-Y1330 HydrophobicContact CB-CE2 4.25Å; E1326-Y1330 WeakPolarHBondContact O-CD2 3.38Å; E1326-Y1330 PolarHBondContact O-N 3.1Å
1327C88.6Confident87.2Confident48 Ų48110.5 Ų110.532%0.32458%0.575SS.*Hα-helixtrans-59.2-33.1-178.9-68.50000113.7L1323 A1325 R1331L1323-C1327 PolarHBondContact O-SG 2.92Å; A1325-C1327 VanDerWaalsContact C-N 3.28Å; A1325-C1327 PolarHBondContact O-N 2.87Å; C1327-R1331 VanDerWaalsContact O-CZ 3.23Å; C1327-R1331 PolarHBondContact O-NE 3.27Å; C1327-R1331 PolarHBondContact O-NH1 3.39Å
1328D92.3Very high88.3Confident82 Ų82108 Ų10844%0.43956%0.563SS.*Hα-helixtrans-77.2-33.4176.4-77.2-48.1000112.6A1325 E1326 Y1330 R1331 T1332A1325-D1328 PolarHBondContact O-N 3.48Å; E1326-D1328 VanDerWaalsContact C-N 3.27Å; E1326-D1328 PolarHBondContact O-N 2.89Å; D1328-Y1330 PolarHBondContact O-N 2.81Å; D1328-R1331 VanDerWaalsContact CG-NH2 3.27Å; D1328-R1331 WeakPolarHBondContact O-CB 3.5Å; D1328-R1331 PolarHBondContact O-N 3.48Å; D1328-R1331 IonicContact OD1-CZ 2.86Å; D1328-R1331 IonicContact OD1-NE 2.74Å; D1328-R1331 PolarHBondContact OD1-NE 2.97Å; D1328-R1331 IonicContact OD1-NH2 2.66Å; D1328-R1331 PolarHBondContact OD1-NH2 3.23Å; D1328-R1331 IonicContact OD2-NH2 2.8Å; D1328-T1332 PolarHBondContact O-N 2.85Å
1329Q92.2Very high89Confident140 Ų140101.2 Ų101.265%0.65454%0.541SS*.Hα-helixtrans-65.6-39.6177.9-161.9171.632.700111.8E1326 R1331 T1332 I1333E1326-Q1329 PolarHBondContact O-N 3.48Å; E1326-Q1329 VanDerWaalsContact O-N 3.09Å; Q1329-R1331 VanDerWaalsContact C-N 3.33Å; Q1329-R1331 PolarHBondContact O-N 3.37Å; Q1329-T1332 PolarHBondContact O-N 3.44Å; Q1329-I1333 PolarHBondContact O-N 3.22Å
1330Y91.1Very high89.7Confident152 Ų152102.2 Ų102.260%0.59654%0.539SS*.Hα-helixtrans-62.5-36.5173.1-71.3-66000113E1326 D1328 T1332 I1333 L1334E1326-Y1330 HydrophobicContact CB-CE2 4.25Å; E1326-Y1330 WeakPolarHBondContact O-CD2 3.38Å; E1326-Y1330 PolarHBondContact O-N 3.1Å; D1328-Y1330 PolarHBondContact O-N 2.81Å; Y1330-T1332 PolarHBondContact O-N 2.99Å; Y1330-I1333 PolarHBondContact O-N 3.49Å; Y1330-L1334 WeakPolarHBondContact O-CG 3.48Å; Y1330-L1334 PolarHBondContact O-N 3.06Å
1331R94.1Very high90.3Very high133 Ų133100.6 Ų100.650%0.50254%0.535SS..Hα-helixtrans-62-39.9179-77.6-176.9-89.7-86.98.5112.3C1327 D1328 Q1329 A1335C1327-R1331 VanDerWaalsContact O-CZ 3.23Å; C1327-R1331 PolarHBondContact O-NE 3.27Å; C1327-R1331 PolarHBondContact O-NH1 3.39Å; D1328-R1331 VanDerWaalsContact CG-NH2 3.27Å; D1328-R1331 WeakPolarHBondContact O-CB 3.5Å; D1328-R1331 PolarHBondContact O-N 3.48Å; D1328-R1331 IonicContact OD1-CZ 2.86Å; D1328-R1331 IonicContact OD1-NE 2.74Å; D1328-R1331 PolarHBondContact OD1-NE 2.97Å; D1328-R1331 IonicContact OD1-NH2 2.66Å; D1328-R1331 PolarHBondContact OD1-NH2 3.23Å; D1328-R1331 IonicContact OD2-NH2 2.8Å; Q1329-R1331 VanDerWaalsContact C-N 3.33Å; Q1329-R1331 PolarHBondContact O-N 3.37Å; R1331-A1335 PolarHBondContact O-N 3.11Å
1332T92.5Very high90.7Very high83 Ų83100.3 Ų100.351%0.50953%0.527SS..Hα-helixtrans-65.5-46.1178.6-53.80000112.3D1328 Q1329 Y1330 L1334 A1335 E1336D1328-T1332 PolarHBondContact O-N 2.85Å; Q1329-T1332 PolarHBondContact O-N 3.44Å; Y1330-T1332 PolarHBondContact O-N 2.99Å; T1332-L1334 VanDerWaalsContact C-N 3.3Å; T1332-L1334 PolarHBondContact O-N 2.78Å; T1332-A1335 PolarHBondContact O-N 3.01Å; T1332-E1336 PolarHBondContact O-N 2.88Å
1333I94.7Very high91.5Very high93 Ų93102 Ų10248%0.47753%0.53SS..Hα-helixtrans-61.8-39.2-176.2-64.5168000111.4Q1329 Y1330 T1337Q1329-I1333 PolarHBondContact O-N 3.22Å; Y1330-I1333 PolarHBondContact O-N 3.49Å; I1333-T1337 WeakPolarHBondContact O-CB 3.45Å; I1333-T1337 PolarHBondContact O-N 2.99Å; I1333-T1337 PolarHBondContact O-OG1 3.4Å
1334L92.2Very high92.1Very high124 Ų124101.4 Ų101.465%0.64953%0.527SS*.Hα-helixtrans-63.2-42.7177.6-69.9170.4000112.1Y1330 T1332 T1337 E1338Y1330-L1334 WeakPolarHBondContact O-CG 3.48Å; Y1330-L1334 PolarHBondContact O-N 3.06Å; T1332-L1334 VanDerWaalsContact C-N 3.3Å; T1332-L1334 PolarHBondContact O-N 2.78Å; L1334-T1337 PolarHBondContact O-N 3.46Å; L1334-E1338 PolarHBondContact O-N 2.88Å
1335A91.8Very high92.5Very high60 Ų60101.4 Ų101.450%0.49653%0.527SS..Hα-helixtrans-66.9-39.7-179.800000112.9R1331 T1332 T1337 G1339R1331-A1335 PolarHBondContact O-N 3.11Å; T1332-A1335 PolarHBondContact O-N 3.01Å; A1335-T1337 VanDerWaalsContact C-N 3.35Å; A1335-G1339 PolarHBondContact O-N 2.9Å; A1335-G1339 VanDerWaalsContact O-N 3.16Å
1336E92.4Very high92.9Very high130 Ų130101.9 Ų101.961%0.60752%0.516SS*.Hα-helixtrans-66.1-38.7174.2-66.4-171.8155.900111.6T1332 G1339 M1340T1332-E1336 PolarHBondContact O-N 2.88Å; E1336-G1339 PolarHBondContact O-N 3.25Å; E1336-M1340 PolarHBondContact O-N 3.48Å; E1336-M1340 VanDerWaalsContact O-N 3.13Å
1337T92.3Very high93.2Very high74 Ų74100.4 Ų100.445%0.45452%0.517SS..Hα-helixtrans-65.5-42.2177.5-55.30000111.9I1333 L1334 A1335 G1339 M1340 L1341I1333-T1337 WeakPolarHBondContact O-CB 3.45Å; I1333-T1337 PolarHBondContact O-N 2.99Å; I1333-T1337 PolarHBondContact O-OG1 3.4Å; L1334-T1337 PolarHBondContact O-N 3.46Å; A1335-T1337 VanDerWaalsContact C-N 3.35Å; T1337-G1339 VanDerWaalsContact C-N 3.33Å; T1337-G1339 PolarHBondContact O-N 2.91Å; T1337-M1340 PolarHBondContact O-N 3.27Å; T1337-L1341 PolarHBondContact O-N 2.93Å; T1337-L1341 VanDerWaalsContact O-N 3.1Å
1338E93.2Very high93.5Very high105 Ų105102.2 Ų102.249%0.49153%0.526SS..Hα-helixtrans-62.1-39.5175.2-164.9-162.215600112L1334 L1341 K1342L1334-E1338 PolarHBondContact O-N 2.88Å; E1338-L1341 PolarHBondContact O-N 3.4Å; E1338-K1342 PolarHBondContact O-N 3.33Å; E1338-K1342 VanDerWaalsContact OE1-CE 3.31Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.42Å; E1338-K1342 IonicContact OE1-NZ 2.75Å; E1338-K1342 PolarHBondContact OE1-NZ 2.98Å
1339G92.5Very high93.6Very high34 Ų34103.2 Ų103.235%0.35153%0.528SS..Hα-helixtrans-60.7-50.3175.700000112.6A1335 E1336 T1337 L1341 K1342 D1343A1335-G1339 PolarHBondContact O-N 2.9Å; A1335-G1339 VanDerWaalsContact O-N 3.16Å; E1336-G1339 PolarHBondContact O-N 3.25Å; T1337-G1339 VanDerWaalsContact C-N 3.33Å; T1337-G1339 PolarHBondContact O-N 2.91Å; G1339-L1341 VanDerWaalsContact C-N 3.29Å; G1339-L1341 PolarHBondContact O-N 2.88Å; G1339-K1342 PolarHBondContact O-N 3.46Å; G1339-D1343 PolarHBondContact O-N 3.39Å
1340M95.1Very high93.7Very high129 Ų129101.2 Ų101.264%0.63552%0.519SS*.Hα-helixtrans-60.6-37.2177.5-69.8-173.2-71.100112.6E1336 T1337 L1344E1336-M1340 PolarHBondContact O-N 3.48Å; E1336-M1340 VanDerWaalsContact O-N 3.13Å; T1337-M1340 PolarHBondContact O-N 3.27Å; M1340-L1344 WeakPolarHBondContact O-CB 3.13Å; M1340-L1344 PolarHBondContact O-N 3.43Å
1341L94.4Very high93.7Very high115 Ų11599.1 Ų99.160%0.60251%0.514SS*.Hα-helixtrans-66-38.9179-167.765.1000112.3T1337 E1338 G1339 L1344 Q1345T1337-L1341 PolarHBondContact O-N 2.93Å; T1337-L1341 VanDerWaalsContact O-N 3.1Å; E1338-L1341 PolarHBondContact O-N 3.4Å; G1339-L1341 VanDerWaalsContact C-N 3.29Å; G1339-L1341 PolarHBondContact O-N 2.88Å; L1341-L1344 PolarHBondContact O-N 3.17Å; L1341-Q1345 PolarHBondContact O-N 3.3Å
1342K94.9Very high93.7Very high120 Ų12097.2 Ų97.252%0.52251%0.511SS..Hα-helixtrans-67.2-41.8177.6-77169.3169.3171.40112.9E1338 G1339 K1346E1338-K1342 PolarHBondContact O-N 3.33Å; E1338-K1342 VanDerWaalsContact OE1-CE 3.31Å; E1338-K1342 WeakPolarHBondContact OE1-CE 3.42Å; E1338-K1342 IonicContact OE1-NZ 2.75Å; E1338-K1342 PolarHBondContact OE1-NZ 2.98Å; G1339-K1342 PolarHBondContact O-N 3.46Å; K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.13Å
1343D95.6Very high93.8Very high120 Ų120102 Ų10264%0.64252%0.52SS*.Hα-helixtrans-68.4-35.9175.3-80.4-26.8000111.8G1339 K1346 S1347G1339-D1343 PolarHBondContact O-N 3.39Å; D1343-K1346 PolarHBondContact O-N 2.89Å; D1343-S1347 PolarHBondContact O-N 2.9Å
1344L94.3Very high93.9Very high106 Ų106100.6 Ų100.656%0.55552%0.515SS*.Hα-helixtrans-63.5-48.5173.3-179.662.1000112M1340 L1341 K1346 S1347 V1348M1340-L1344 WeakPolarHBondContact O-CB 3.13Å; M1340-L1344 PolarHBondContact O-N 3.43Å; L1341-L1344 PolarHBondContact O-N 3.17Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 2.9Å; L1344-S1347 WeakPolarHBondContact O-CB 3.47Å; L1344-S1347 PolarHBondContact O-N 3.4Å; L1344-S1347 VanDerWaalsContact O-N 3.12Å; L1344-V1348 PolarHBondContact O-N 3.03Å; L1344-V1348 VanDerWaalsContact O-N 3.09Å
1345Q94.5Very high93.9Very high116 Ų116101 Ų10154%0.54251%0.509SS..Hα-helixtrans-54.5-49.5176.2178.5-175.3-20.700111L1341 S1347 V1348 E1349L1341-Q1345 PolarHBondContact O-N 3.3Å; Q1345-S1347 VanDerWaalsContact C-N 3.27Å; Q1345-S1347 PolarHBondContact O-N 2.96Å; Q1345-V1348 PolarHBondContact O-N 3.5Å; Q1345-E1349 WeakPolarHBondContact CG-OE1 3.26Å; Q1345-E1349 PolarHBondContact NE2-OE1 3.35Å; Q1345-E1349 PolarHBondContact O-N 2.95Å
1346K95.1Very high94.1Very high78 Ų78104.8 Ų104.834%0.33951%0.514SS..Hα-helixtrans-59.4-37.5178.8-175.2-171.4164.1-68.70112.3K1342 D1343 L1344 V1348 E1350K1342-K1346 PolarHBondContact O-N 3.47Å; K1342-K1346 VanDerWaalsContact O-N 3.13Å; D1343-K1346 PolarHBondContact O-N 2.89Å; L1344-K1346 VanDerWaalsContact C-N 3.32Å; L1344-K1346 PolarHBondContact O-N 2.9Å; K1346-V1348 VanDerWaalsContact C-N 3.34Å; K1346-E1350 WeakPolarHBondContact CE-OE1 3.39Å; K1346-E1350 IonicContact NZ-OE1 2.74Å; K1346-E1350 PolarHBondContact NZ-OE1 3.35Å; K1346-E1350 IonicContact NZ-OE2 2.76Å; K1346-E1350 PolarHBondContact NZ-OE2 2.92Å; K1346-E1350 WeakPolarHBondContact O-CG 3.43Å; K1346-E1350 PolarHBondContact O-N 2.86Å; K1346-E1350 VanDerWaalsContact O-N 3.1Å
1347S93.4Very high94.2Very high67 Ų67101.8 Ų101.847%0.46951%0.511SS..Hα-helixtrans-65.3-37.4175.6-168.70000112.3D1343 L1344 Q1345 E1351D1343-S1347 PolarHBondContact O-N 2.9Å; L1344-S1347 WeakPolarHBondContact O-CB 3.47Å; L1344-S1347 PolarHBondContact O-N 3.4Å; L1344-S1347 VanDerWaalsContact O-N 3.12Å; Q1345-S1347 VanDerWaalsContact C-N 3.27Å; Q1345-S1347 PolarHBondContact O-N 2.96Å; S1347-E1351 PolarHBondContact O-N 3.36Å; S1347-E1351 VanDerWaalsContact O-N 3.09Å
1348V94.3Very high94.3Very high85 Ų85103 Ų10352%0.51551%0.511SS..Hα-helixtrans-69.1-44177.4174.90000111L1344 Q1345 K1346 E1350 E1351 E1352L1344-V1348 PolarHBondContact O-N 3.03Å; L1344-V1348 VanDerWaalsContact O-N 3.09Å; Q1345-V1348 PolarHBondContact O-N 3.5Å; K1346-V1348 VanDerWaalsContact C-N 3.34Å; V1348-E1350 VanDerWaalsContact C-N 3.33Å; V1348-E1350 PolarHBondContact O-N 3.33Å; V1348-E1351 PolarHBondContact O-N 2.88Å; V1348-E1352 WeakPolarHBondContact O-CB 3.47Å; V1348-E1352 PolarHBondContact O-N 2.9Å
1349E94.6Very high94.4Very high103 Ų103101.6 Ų101.648%0.48151%0.509SS..Hα-helixtrans-60.5-40.4176.2-69.5172.3-173.700112.3Q1345 R1353Q1345-E1349 WeakPolarHBondContact CG-OE1 3.26Å; Q1345-E1349 PolarHBondContact NE2-OE1 3.35Å; Q1345-E1349 PolarHBondContact O-N 2.95Å; E1349-R1353 PolarHBondContact O-N 2.6Å; E1349-R1353 VanDerWaalsContact O-N 3.13Å
1350E94Very high94.5Very high98 Ų98101.4 Ų101.446%0.45851%0.506SS..Hα-helixtrans-67.8-36.5175.9-77.3177166.900112.5K1346 V1348 V1354K1346-E1350 WeakPolarHBondContact CE-OE1 3.39Å; K1346-E1350 IonicContact NZ-OE1 2.74Å; K1346-E1350 PolarHBondContact NZ-OE1 3.35Å; K1346-E1350 IonicContact NZ-OE2 2.76Å; K1346-E1350 PolarHBondContact NZ-OE2 2.92Å; K1346-E1350 WeakPolarHBondContact O-CG 3.43Å; K1346-E1350 PolarHBondContact O-N 2.86Å; K1346-E1350 VanDerWaalsContact O-N 3.1Å; V1348-E1350 VanDerWaalsContact C-N 3.33Å; V1348-E1350 PolarHBondContact O-N 3.33Å; E1350-V1354 WeakPolarHBondContact O-CG2 3.43Å; E1350-V1354 PolarHBondContact O-N 3.04Å
1351E92.9Very high94.4Very high108 Ų10898 Ų9851%0.50550%0.499SS..Hα-helixtrans-73.4-40.2175.5-152.5-170.4145.800112.3S1347 V1348 R1353 V1354 W1355S1347-E1351 PolarHBondContact O-N 3.36Å; S1347-E1351 VanDerWaalsContact O-N 3.09Å; V1348-E1351 PolarHBondContact O-N 2.88Å; E1351-R1353 VanDerWaalsContact C-N 3.28Å; E1351-R1353 PolarHBondContact O-N 2.99Å; E1351-V1354 CarbonylContact O-C 3.35Å; E1351-V1354 WeakPolarHBondContact O-CA 3.49Å; E1351-V1354 WeakPolarHBondContact O-CB 3.24Å; E1351-V1354 PolarHBondContact O-N 3.03Å; E1351-W1355 PolarHBondContact O-N 2.87Å; E1351-W1355 PolarHBondContact OE1-NE1 2.79Å
1352E93.1Very high94.3Very high93 Ų9395.4 Ų95.444%0.43549%0.494SS..Hα-helixtrans-59-40.8175.8-162.9-152.8127.300111.1V1348 V1354 W1355 K1356V1348-E1352 WeakPolarHBondContact O-CB 3.47Å; V1348-E1352 PolarHBondContact O-N 2.9Å; E1352-V1354 VanDerWaalsContact C-N 3.31Å; E1352-V1354 PolarHBondContact O-N 3.03Å; E1352-W1355 PolarHBondContact O-N 2.88Å; E1352-K1356 PolarHBondContact O-N 2.86Å; E1352-K1356 WeakPolarHBondContact OE1-CE 3.17Å; E1352-K1356 IonicContact OE1-NZ 2.59Å; E1352-K1356 PolarHBondContact OE1-NZ 3.3Å
1353R94.5Very high94.1Very high184 Ų18495.5 Ų95.569%0.69450%0.497SS*.Hα-helixtrans-61.4-37.8173.3-166.1-174.170.7123.32.7112.3E1349 E1351 A1357E1349-R1353 PolarHBondContact O-N 2.6Å; E1349-R1353 VanDerWaalsContact O-N 3.13Å; E1351-R1353 VanDerWaalsContact C-N 3.28Å; E1351-R1353 PolarHBondContact O-N 2.99Å; R1353-A1357 WeakPolarHBondContact O-CB 3.43Å; R1353-A1357 PolarHBondContact O-N 2.89Å; R1353-A1357 VanDerWaalsContact O-N 3.12Å
1354V96.2Very high94Very high63 Ų6395.7 Ų95.738%0.38249%0.493SS..Hα-helixtrans-69-38.3174.7168.90000111.3E1350 E1351 E1352 A1357 K1358E1350-V1354 WeakPolarHBondContact O-CG2 3.43Å; E1350-V1354 PolarHBondContact O-N 3.04Å; E1351-V1354 CarbonylContact O-C 3.35Å; E1351-V1354 WeakPolarHBondContact O-CA 3.49Å; E1351-V1354 WeakPolarHBondContact O-CB 3.24Å; E1351-V1354 PolarHBondContact O-N 3.03Å; E1352-V1354 VanDerWaalsContact C-N 3.31Å; E1352-V1354 PolarHBondContact O-N 3.03Å; V1354-A1357 PolarHBondContact O-N 3.47Å; V1354-K1358 HydrophobicContact CG1-CD 4.26Å; V1354-K1358 VanDerWaalsContact O-CG 3.31Å; V1354-K1358 WeakPolarHBondContact O-CG 3.39Å; V1354-K1358 PolarHBondContact O-N 3.37Å
1355W93.9Very high93.9Very high134 Ų13495.6 Ų95.651%0.50849%0.49SS..Hα-helixtrans-68.3-43.4175.2-74.2111.9000112.5E1351 E1352 A1357 K1358 V1359E1351-W1355 PolarHBondContact O-N 2.87Å; E1351-W1355 PolarHBondContact OE1-NE1 2.79Å; E1352-W1355 PolarHBondContact O-N 2.88Å; W1355-A1357 VanDerWaalsContact C-N 3.33Å; W1355-A1357 PolarHBondContact O-N 3.33Å; W1355-K1358 HydrophobicContact CD2-CD 4.19Å; W1355-K1358 HydrophobicContact CE3-CD 3.58Å; W1355-K1358 HydrophobicContact CH2-CD 4.5Å; W1355-K1358 HydrophobicContact CZ3-CD 3.77Å; W1355-K1358 WeakPolarHBondContact O-CB 3.46Å; W1355-K1358 PolarHBondContact O-N 3.09Å; W1355-K1358 VanDerWaalsContact O-N 3.14Å; W1355-V1359 WeakPolarHBondContact O-CG2 3.42Å; W1355-V1359 PolarHBondContact O-N 2.71Å
1356K94.6Very high93.8Very high138 Ų13894.5 Ų94.560%0.649%0.487SS*.Hα-helixtrans-55.9-44.6171.8-83.8171.9167.4164.20112.3E1352 K1358 V1359 G1360E1352-K1356 PolarHBondContact O-N 2.86Å; E1352-K1356 WeakPolarHBondContact OE1-CE 3.17Å; E1352-K1356 IonicContact OE1-NZ 2.59Å; E1352-K1356 PolarHBondContact OE1-NZ 3.3Å; K1356-K1358 PolarHBondContact O-N 3.48Å; K1356-V1359 PolarHBondContact O-N 3.49Å; K1356-G1360 PolarHBondContact O-N 3.42Å
1357A94.9Very high93.8Very high68 Ų6896.8 Ų96.856%0.56250%0.499SS*.Hα-helixtrans-63.8-38.3176.200000113.1R1353 V1354 W1355 A1361R1353-A1357 WeakPolarHBondContact O-CB 3.43Å; R1353-A1357 PolarHBondContact O-N 2.89Å; R1353-A1357 VanDerWaalsContact O-N 3.12Å; V1354-A1357 PolarHBondContact O-N 3.47Å; W1355-A1357 VanDerWaalsContact C-N 3.33Å; W1355-A1357 PolarHBondContact O-N 3.33Å; A1357-A1361 WeakPolarHBondContact O-CB 3.49Å; A1357-A1361 PolarHBondContact O-N 3.36Å
1358K94.4Very high93.8Very high100 Ų10098.3 Ų98.344%0.43550%0.497SS..Hα-helixtrans-67.1-39.1174.4-71.5165.1-179.7168.20112.6V1354 W1355 K1356 A1362V1354-K1358 HydrophobicContact CG1-CD 4.26Å; V1354-K1358 VanDerWaalsContact O-CG 3.31Å; V1354-K1358 WeakPolarHBondContact O-CG 3.39Å; V1354-K1358 PolarHBondContact O-N 3.37Å; W1355-K1358 HydrophobicContact CD2-CD 4.19Å; W1355-K1358 HydrophobicContact CE3-CD 3.58Å; W1355-K1358 HydrophobicContact CH2-CD 4.5Å; W1355-K1358 HydrophobicContact CZ3-CD 3.77Å; W1355-K1358 WeakPolarHBondContact O-CB 3.46Å; W1355-K1358 PolarHBondContact O-N 3.09Å; W1355-K1358 VanDerWaalsContact O-N 3.14Å; K1356-K1358 PolarHBondContact O-N 3.48Å; K1358-A1362 WeakPolarHBondContact O-CB 3.2Å; K1358-A1362 PolarHBondContact O-N 2.87Å
1359V95.2Very high93.6Very high75 Ų7596.8 Ų96.846%0.45549%0.491SS..Hα-helixtrans-63.9-51.4178.1170.20000110.2W1355 K1356 A1361 A1362 E1363W1355-V1359 WeakPolarHBondContact O-CG2 3.42Å; W1355-V1359 PolarHBondContact O-N 2.71Å; K1356-V1359 PolarHBondContact O-N 3.49Å; V1359-A1361 VanDerWaalsContact C-N 3.31Å; V1359-A1361 PolarHBondContact O-N 3.42Å; V1359-A1362 CarbonylContact O-C 3.5Å; V1359-A1362 WeakPolarHBondContact O-CA 3.36Å; V1359-A1362 WeakPolarHBondContact O-CB 3.27Å; V1359-A1362 PolarHBondContact O-N 3.19Å; V1359-E1363 HydrophobicContact CG1-CG 4.31Å; V1359-E1363 WeakPolarHBondContact O-CG 3.38Å; V1359-E1363 PolarHBondContact O-N 2.91Å
1360G94.9Very high93.6Very high29 Ų2999.7 Ų99.730%0.29950%0.497SS..Hα-helixtrans-58-41177.800000113.2K1356 A1362 E1363 E1364K1356-G1360 PolarHBondContact O-N 3.42Å; G1360-A1362 VanDerWaalsContact C-N 3.33Å; G1360-A1362 PolarHBondContact O-N 3.12Å; G1360-E1363 PolarHBondContact O-N 3.36Å; G1360-E1364 PolarHBondContact O-N 3.48Å
1361A93.5Very high93.6Very high58 Ų5898.9 Ų98.948%0.47950%0.499SS..Hα-helixtrans-64.3-34.7174.900000113.2A1357 V1359 E1365A1357-A1361 WeakPolarHBondContact O-CB 3.49Å; A1357-A1361 PolarHBondContact O-N 3.36Å; V1359-A1361 VanDerWaalsContact C-N 3.31Å; V1359-A1361 PolarHBondContact O-N 3.42Å; A1361-E1365 PolarHBondContact O-N 3.44Å
1362A90.7Very high93.6Very high61 Ų6197.7 Ų97.750%0.50450%0.499SS..Hα-helixtrans-72.9-34.5174.400000112.3K1358 V1359 G1360 E1365 L1366K1358-A1362 WeakPolarHBondContact O-CB 3.2Å; K1358-A1362 PolarHBondContact O-N 2.87Å; V1359-A1362 CarbonylContact O-C 3.5Å; V1359-A1362 WeakPolarHBondContact O-CA 3.36Å; V1359-A1362 WeakPolarHBondContact O-CB 3.27Å; V1359-A1362 PolarHBondContact O-N 3.19Å; G1360-A1362 VanDerWaalsContact C-N 3.33Å; G1360-A1362 PolarHBondContact O-N 3.12Å; A1362-E1365 PolarHBondContact O-N 3.03Å; A1362-L1366 VanDerWaalsContact O-CB 3.31Å; A1362-L1366 WeakPolarHBondContact O-CB 3.48Å; A1362-L1366 PolarHBondContact O-N 3.16Å
1363E92.1Very high93.5Very high122 Ų12296.7 Ų96.757%0.5750%0.499SS*.Hα-helixtrans-68.6-39.6174.8-71175.1155.400112V1359 G1360 L1366 H1367V1359-E1363 HydrophobicContact CG1-CG 4.31Å; V1359-E1363 WeakPolarHBondContact O-CG 3.38Å; V1359-E1363 PolarHBondContact O-N 2.91Å; G1360-E1363 PolarHBondContact O-N 3.36Å; E1363-L1366 PolarHBondContact O-N 3.24Å; E1363-H1367 WeakPolarHBondContact O-CB 3.49Å; E1363-H1367 PolarHBondContact O-N 2.89Å
1364E93.2Very high93.5Very high123 Ų12394.3 Ų94.358%0.57549%0.494SS*.Hα-helixtrans-60.8-44.2170.7-77.8-171.6-174.200112.2G1360 H1367 K1368G1360-E1364 PolarHBondContact O-N 3.48Å; E1364-H1367 WeakPolarHBondContact O-CB 3.32Å; E1364-H1367 PolarHBondContact O-N 3.28Å; E1364-K1368 WeakPolarHBondContact O-CG 3.42Å; E1364-K1368 PolarHBondContact O-N 3.25Å
1365E91.7Very high93.4Very high104 Ų10496.9 Ų96.949%0.48650%0.501SS..Hα-helixtrans-71.3-34-179.7-15461.6-149.500111.9A1361 A1362 H1367 K1368 S1369A1361-E1365 PolarHBondContact O-N 3.44Å; A1362-E1365 PolarHBondContact O-N 3.03Å; E1365-H1367 VanDerWaalsContact C-N 3.33Å; E1365-K1368 WeakPolarHBondContact OE2-CD 3.16Å; E1365-K1368 WeakPolarHBondContact OE2-CE 3.43Å; E1365-K1368 IonicContact OE2-NZ 3.23Å; E1365-K1368 PolarHBondContact OE2-NZ 3.36Å; E1365-S1369 VanDerWaalsContact O-CB 3.31Å; E1365-S1369 WeakPolarHBondContact O-CB 3.42Å; E1365-S1369 PolarHBondContact O-N 3.31Å; E1365-S1369 PolarHBondContact O-OG 3.47Å
1366L92.7Very high93.3Very high93 Ų9395.5 Ų95.549%0.48750%0.504SS..Hα-helixtrans-62.1-40167.4-176.972.6000111.2A1362 E1363 S1369 R1370A1362-L1366 VanDerWaalsContact O-CB 3.31Å; A1362-L1366 WeakPolarHBondContact O-CB 3.48Å; A1362-L1366 PolarHBondContact O-N 3.16Å; E1363-L1366 PolarHBondContact O-N 3.24Å; L1366-S1369 PolarHBondContact O-N 3.41Å; L1366-R1370 WeakPolarHBondContact O-CG 3.45Å; L1366-R1370 PolarHBondContact O-N 3.3Å
1367H94.3Very high93.2Very high127 Ų12794.3 Ų94.359%0.58850%0.5SS*.Hα-helixtrans-66.3-47.5178-16796.9000111.5E1363 E1364 E1365 S1369 R1370 V1371E1363-H1367 WeakPolarHBondContact O-CB 3.49Å; E1363-H1367 PolarHBondContact O-N 2.89Å; E1364-H1367 WeakPolarHBondContact O-CB 3.32Å; E1364-H1367 PolarHBondContact O-N 3.28Å; E1365-H1367 VanDerWaalsContact C-N 3.33Å; H1367-S1369 VanDerWaalsContact C-N 3.29Å; H1367-S1369 PolarHBondContact O-N 3.14Å; H1367-R1370 PolarHBondContact O-N 2.95Å; H1367-R1370 VanDerWaalsContact O-N 3.15Å; H1367-V1371 WeakPolarHBondContact O-CG2 3.46Å; H1367-V1371 PolarHBondContact O-N 3.19Å
1368K94.2Very high93.1Very high98 Ų9896.3 Ų96.343%0.42650%0.501SS..Hα-helixtrans-55.1-46.2172.2-67167.4-146.6161.10111E1364 E1365 R1370 V1371 T1372E1364-K1368 WeakPolarHBondContact O-CG 3.42Å; E1364-K1368 PolarHBondContact O-N 3.25Å; E1365-K1368 WeakPolarHBondContact OE2-CD 3.16Å; E1365-K1368 WeakPolarHBondContact OE2-CE 3.43Å; E1365-K1368 IonicContact OE2-NZ 3.23Å; E1365-K1368 PolarHBondContact OE2-NZ 3.36Å; K1368-R1370 PolarHBondContact O-N 3.19Å; K1368-V1371 PolarHBondContact O-N 2.98Å; K1368-V1371 VanDerWaalsContact O-N 3.17Å; K1368-T1372 PolarHBondContact O-N 2.94Å; K1368-T1372 PolarHBondContact O-OG1 3.37Å
1369S91Very high93.1Very high54 Ų5494.9 Ų94.938%0.37850%0.498SS..Hα-helixtrans-62-39177.8-590000112.7E1365 L1366 H1367 T1372 V1373E1365-S1369 VanDerWaalsContact O-CB 3.31Å; E1365-S1369 WeakPolarHBondContact O-CB 3.42Å; E1365-S1369 PolarHBondContact O-N 3.31Å; E1365-S1369 PolarHBondContact O-OG 3.47Å; L1366-S1369 PolarHBondContact O-N 3.41Å; H1367-S1369 VanDerWaalsContact C-N 3.29Å; H1367-S1369 PolarHBondContact O-N 3.14Å; S1369-T1372 PolarHBondContact O-N 2.83Å; S1369-T1372 PolarHBondContact O-OG1 3.47Å; S1369-T1372 VanDerWaalsContact O-OG1 3.06Å; S1369-V1373 WeakPolarHBondContact O-CB 3.36Å; S1369-V1373 VanDerWaalsContact O-CG2 3.25Å; S1369-V1373 WeakPolarHBondContact O-CG2 3.4Å; S1369-V1373 PolarHBondContact O-N 3.49Å
1370R93.3Very high92.9Very high163 Ų16395.7 Ų95.762%0.61550%0.503SS*.Hα-helixtrans-67.2-35.1174.4-75.3174.6179.6-128.33.6112.4L1366 H1367 K1368 K1374L1366-R1370 WeakPolarHBondContact O-CG 3.45Å; L1366-R1370 PolarHBondContact O-N 3.3Å; H1367-R1370 PolarHBondContact O-N 2.95Å; H1367-R1370 VanDerWaalsContact O-N 3.15Å; K1368-R1370 PolarHBondContact O-N 3.19Å; R1370-K1374 WeakPolarHBondContact O-CG 3.49Å; R1370-K1374 PolarHBondContact O-N 2.89Å
1371V94.6Very high92.8Very high82 Ų82100 Ų10050%0.49752%0.515SS..Hα-helixtrans-69.9-41.9175.5173.30000111.3H1367 K1368 K1374 H1375H1367-V1371 WeakPolarHBondContact O-CG2 3.46Å; H1367-V1371 PolarHBondContact O-N 3.19Å; K1368-V1371 PolarHBondContact O-N 2.98Å; K1368-V1371 VanDerWaalsContact O-N 3.17Å; V1371-K1374 PolarHBondContact O-N 3.25Å; V1371-H1375 PolarHBondContact O-N 2.85Å
1372T92.6Very high92.8Very high82 Ų82103.6 Ų103.650%0.50352%0.52SS..Hα-helixtrans-69.6-35.9176.256.10000112.5K1368 S1369 H1375 L1376K1368-T1372 PolarHBondContact O-N 2.94Å; K1368-T1372 PolarHBondContact O-OG1 3.37Å; S1369-T1372 PolarHBondContact O-N 2.83Å; S1369-T1372 PolarHBondContact O-OG1 3.47Å; S1369-T1372 VanDerWaalsContact O-OG1 3.06Å; T1372-H1375 PolarHBondContact O-N 3.45Å; T1372-L1376 WeakPolarHBondContact O-CG 3.5Å; T1372-L1376 PolarHBondContact O-N 2.94Å
1373V91.1Very high92.9Very high72 Ų72105.3 Ų105.344%0.43652%0.52SS..Hα-helixtrans-60.8-49.6171.2167.20000110.9S1369 H1375 L1376 E1377S1369-V1373 WeakPolarHBondContact O-CB 3.36Å; S1369-V1373 VanDerWaalsContact O-CG2 3.25Å; S1369-V1373 WeakPolarHBondContact O-CG2 3.4Å; S1369-V1373 PolarHBondContact O-N 3.49Å; V1373-H1375 VanDerWaalsContact C-N 3.32Å; V1373-H1375 PolarHBondContact O-N 3.26Å; V1373-L1376 CarbonylContact O-C 3.59Å; V1373-L1376 WeakPolarHBondContact O-CA 3.31Å; V1373-L1376 WeakPolarHBondContact O-CB 3.28Å; V1373-L1376 PolarHBondContact O-N 2.9Å; V1373-E1377 HydrophobicContact CG1-CG 4.27Å; V1373-E1377 WeakPolarHBondContact O-CG 3.42Å; V1373-E1377 PolarHBondContact O-N 2.85Å
1374K94.2Very high92.9Very high135 Ų135104.1 Ų104.159%0.58751%0.513SS*.Hα-helixtrans-56.1-44.1175.5-79.2-175.1172.6-167.30113.1R1370 V1371 L1376 E1377 D1378R1370-K1374 WeakPolarHBondContact O-CG 3.49Å; R1370-K1374 PolarHBondContact O-N 2.89Å; V1371-K1374 PolarHBondContact O-N 3.25Å; K1374-L1376 VanDerWaalsContact C-N 3.27Å; K1374-L1376 PolarHBondContact O-N 2.94Å; K1374-E1377 WeakPolarHBondContact CA-OE2 3.36Å; K1374-E1377 WeakPolarHBondContact O-CB 3.24Å; K1374-E1377 PolarHBondContact O-N 3.36Å; K1374-E1377 VanDerWaalsContact O-N 3.14Å; K1374-D1378 PolarHBondContact O-N 3.33Å
1375H93.7Very high92.7Very high116 Ų116100 Ų10054%0.53750%0.503SS..Hα-helixtrans-63.3-34.3177.5-17644.7000112.7V1371 T1372 V1373 I1379V1371-H1375 PolarHBondContact O-N 2.85Å; T1372-H1375 PolarHBondContact O-N 3.45Å; V1373-H1375 VanDerWaalsContact C-N 3.32Å; V1373-H1375 PolarHBondContact O-N 3.26Å; H1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; H1375-I1379 VanDerWaalsContact O-CG1 3.27Å; H1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; H1375-I1379 PolarHBondContact O-N 3.4Å; H1375-I1379 VanDerWaalsContact O-N 3.16Å
1376L92.6Very high92.6Very high106 Ų10699.2 Ų99.256%0.55550%0.5SS*.Hα-helixtrans-72.9-35.5173.1-69.3168.9000112.2T1372 V1373 K1374 I1379 V1380T1372-L1376 WeakPolarHBondContact O-CG 3.5Å; T1372-L1376 PolarHBondContact O-N 2.94Å; V1373-L1376 CarbonylContact O-C 3.59Å; V1373-L1376 WeakPolarHBondContact O-CA 3.31Å; V1373-L1376 WeakPolarHBondContact O-CB 3.28Å; V1373-L1376 PolarHBondContact O-N 2.9Å; K1374-L1376 VanDerWaalsContact C-N 3.27Å; K1374-L1376 PolarHBondContact O-N 2.94Å; L1376-I1379 PolarHBondContact O-N 3.14Å; L1376-V1380 WeakPolarHBondContact O-CB 3.49Å; L1376-V1380 VanDerWaalsContact O-CG2 3.3Å; L1376-V1380 WeakPolarHBondContact O-CG2 3.13Å; L1376-V1380 PolarHBondContact O-N 3.04Å
1377E91.6Very high92.5Very high112 Ų11299.5 Ų99.552%0.52350%0.501SS..Hα-helixtrans-61.5-47.8172.5-69.3167.9155.300110.7V1373 K1374 I1379 V1380 E1381V1373-E1377 HydrophobicContact CG1-CG 4.27Å; V1373-E1377 WeakPolarHBondContact O-CG 3.42Å; V1373-E1377 PolarHBondContact O-N 2.85Å; K1374-E1377 WeakPolarHBondContact CA-OE2 3.36Å; K1374-E1377 WeakPolarHBondContact O-CB 3.24Å; K1374-E1377 PolarHBondContact O-N 3.36Å; K1374-E1377 VanDerWaalsContact O-N 3.14Å; E1377-I1379 VanDerWaalsContact C-N 3.31Å; E1377-I1379 PolarHBondContact O-N 3.04Å; E1377-V1380 PolarHBondContact O-N 3.44Å; E1377-V1380 VanDerWaalsContact O-N 3.12Å; E1377-E1381 PolarHBondContact O-N 3.04Å
1378D93.4Very high92.4Very high111 Ų11199.2 Ų99.259%0.59450%0.5SS*.Hα-helixtrans-57.6-41.5174.5-66.9-34.3000112.2K1374 K1382K1374-D1378 PolarHBondContact O-N 3.33Å; D1378-K1382 WeakPolarHBondContact O-CB 3.4Å; D1378-K1382 PolarHBondContact O-N 3.05Å
1379I94.9Very high92.1Very high69 Ų6997.5 Ų97.535%0.35450%0.5SS..Hα-helixtrans-66.8-39.8176.6-72.8166.7000111.2H1375 L1376 E1377 K1382 L1383H1375-I1379 WeakPolarHBondContact O-CD1 3.46Å; H1375-I1379 VanDerWaalsContact O-CG1 3.27Å; H1375-I1379 WeakPolarHBondContact O-CG1 3.41Å; H1375-I1379 PolarHBondContact O-N 3.4Å; H1375-I1379 VanDerWaalsContact O-N 3.16Å; L1376-I1379 PolarHBondContact O-N 3.14Å; E1377-I1379 VanDerWaalsContact C-N 3.31Å; E1377-I1379 PolarHBondContact O-N 3.04Å; I1379-K1382 PolarHBondContact O-N 3.06Å; I1379-L1383 HydrophobicContact CG2-CD1 3.85Å; I1379-L1383 HydrophobicContact CG2-CG 4.37Å; I1379-L1383 WeakPolarHBondContact O-CB 3.46Å; I1379-L1383 VanDerWaalsContact O-CG 3.29Å; I1379-L1383 WeakPolarHBondContact O-CG 3.47Å; I1379-L1383 PolarHBondContact O-N 3.48Å
1380V90.7Very high91.8Very high93 Ų9397.7 Ų97.756%0.56450%0.502SS*.Hα-helixtrans-67.9-41.7177.6167.30000111.3L1376 E1377 K1382 L1383 K1384L1376-V1380 WeakPolarHBondContact O-CB 3.49Å; L1376-V1380 VanDerWaalsContact O-CG2 3.3Å; L1376-V1380 WeakPolarHBondContact O-CG2 3.13Å; L1376-V1380 PolarHBondContact O-N 3.04Å; E1377-V1380 PolarHBondContact O-N 3.44Å; E1377-V1380 VanDerWaalsContact O-N 3.12Å; V1380-K1382 VanDerWaalsContact C-N 3.34Å; V1380-K1382 PolarHBondContact O-N 3.35Å; V1380-L1383 PolarHBondContact O-N 3.17Å; V1380-K1384 VanDerWaalsContact O-CB 3.26Å; V1380-K1384 WeakPolarHBondContact O-CB 3.48Å; V1380-K1384 PolarHBondContact O-N 2.73Å
1381E92.6Very high91.6Very high118 Ų11893.4 Ų93.455%0.55149%0.491SS*.Hα-helixtrans-62.3-42.1175.1-158.470.7-115.500110.9E1377 K1384 G1385E1377-E1381 PolarHBondContact O-N 3.04Å; E1381-K1384 PolarHBondContact O-N 3.32Å; E1381-K1384 IonicContact OE1-NZ 2.66Å; E1381-K1384 PolarHBondContact OE1-NZ 3.49Å; E1381-G1385 PolarHBondContact O-N 3.41Å
1382K94.1Very high91.4Very high134 Ų13495.2 Ų95.258%0.58349%0.494SS*.Hα-helixtrans-63-46.6174.3-175.8174-177.7-68.20112.9D1378 I1379 V1380 K1384 G1385 E1386D1378-K1382 WeakPolarHBondContact O-CB 3.4Å; D1378-K1382 PolarHBondContact O-N 3.05Å; I1379-K1382 PolarHBondContact O-N 3.06Å; V1380-K1382 VanDerWaalsContact C-N 3.34Å; V1380-K1382 PolarHBondContact O-N 3.35Å; K1382-K1384 VanDerWaalsContact C-N 3.27Å; K1382-K1384 PolarHBondContact O-N 3.1Å; K1382-G1385 PolarHBondContact O-N 3.37Å; K1382-E1386 IonicContact NZ-OE1 2.59Å; K1382-E1386 PolarHBondContact NZ-OE1 2.87Å; K1382-E1386 PolarHBondContact O-N 3.34Å
1383L93.1Very high91.4Very high98 Ų9895.7 Ų95.751%0.51350%0.497SS..Hα-helixtrans-65.1-30.6177.5-75.3170.9000112.5I1379 V1380 E1386 L1387I1379-L1383 HydrophobicContact CG2-CD1 3.85Å; I1379-L1383 HydrophobicContact CG2-CG 4.37Å; I1379-L1383 WeakPolarHBondContact O-CB 3.46Å; I1379-L1383 VanDerWaalsContact O-CG 3.29Å; I1379-L1383 WeakPolarHBondContact O-CG 3.47Å; I1379-L1383 PolarHBondContact O-N 3.48Å; V1380-L1383 PolarHBondContact O-N 3.17Å; L1383-E1386 PolarHBondContact O-N 2.96Å; L1383-L1387 WeakPolarHBondContact O-CB 3.26Å; L1383-L1387 PolarHBondContact O-N 2.8Å
1384K91.7Very high91.3Very high97 Ų9798.5 Ų98.542%0.42250%0.499SS..Hα-helixtrans-69.5-43.8174176.7-178.6151.8-1390111.4V1380 E1381 K1382 E1386 L1387 E1388V1380-K1384 VanDerWaalsContact O-CB 3.26Å; V1380-K1384 WeakPolarHBondContact O-CB 3.48Å; V1380-K1384 PolarHBondContact O-N 2.73Å; E1381-K1384 PolarHBondContact O-N 3.32Å; E1381-K1384 IonicContact OE1-NZ 2.66Å; E1381-K1384 PolarHBondContact OE1-NZ 3.49Å; K1382-K1384 VanDerWaalsContact C-N 3.27Å; K1382-K1384 PolarHBondContact O-N 3.1Å; K1384-E1386 VanDerWaalsContact C-N 3.34Å; K1384-E1386 PolarHBondContact O-N 2.97Å; K1384-L1387 WeakPolarHBondContact O-CB 3.33Å; K1384-L1387 PolarHBondContact O-N 2.84Å; K1384-E1388 WeakPolarHBondContact CE-OE1 3.36Å; K1384-E1388 WeakPolarHBondContact O-CG 3.3Å; K1384-E1388 PolarHBondContact O-N 2.73Å
1385G89.2Confident91.1Very high36 Ų3698.5 Ų98.537%0.37150%0.502SS..Hα-helixtrans-61.8-38.8170.800000113.2E1381 K1382 E1388 S1389E1381-G1385 PolarHBondContact O-N 3.41Å; K1382-G1385 PolarHBondContact O-N 3.37Å; G1385-E1388 PolarHBondContact O-N 3.17Å; G1385-S1389 PolarHBondContact O-N 2.99Å
1386E89.2Confident90.8Very high88 Ų8898.4 Ų98.441%0.41150%0.501SS..Hα-helixtrans-63.7-39.3172.1-74.5175.2-163.900112.1K1382 L1383 K1384 S1389 S1390K1382-E1386 IonicContact NZ-OE1 2.59Å; K1382-E1386 PolarHBondContact NZ-OE1 2.87Å; K1382-E1386 PolarHBondContact O-N 3.34Å; L1383-E1386 PolarHBondContact O-N 2.96Å; K1384-E1386 VanDerWaalsContact C-N 3.34Å; K1384-E1386 PolarHBondContact O-N 2.97Å; E1386-S1389 PolarHBondContact O-N 3.44Å; E1386-S1389 PolarHBondContact O-OG 3.49Å; E1386-S1390 WeakPolarHBondContact O-CB 3.38Å; E1386-S1390 PolarHBondContact O-N 3.38Å
1387L90.1Very high90.6Very high99 Ų9996.4 Ų96.452%0.51849%0.493SS..Hα-helixtrans-65-45.1174.3178.962.1000112.1L1383 K1384 S1389 S1390 D1391L1383-L1387 WeakPolarHBondContact O-CB 3.26Å; L1383-L1387 PolarHBondContact O-N 2.8Å; K1384-L1387 WeakPolarHBondContact O-CB 3.33Å; K1384-L1387 PolarHBondContact O-N 2.84Å; L1387-S1389 VanDerWaalsContact C-N 3.29Å; L1387-S1389 PolarHBondContact O-N 3.15Å; L1387-S1390 CarbonylContact O-C 3.56Å; L1387-S1390 WeakPolarHBondContact O-CA 3.47Å; L1387-S1390 WeakPolarHBondContact O-CB 3.35Å; L1387-S1390 PolarHBondContact O-N 3.33Å; L1387-D1391 PolarHBondContact O-N 3.4Å
1388E92.2Very high90.5Very high120 Ų12094.4 Ų94.456%0.56149%0.492SS*.Hα-helixtrans-60.3-39.4175.5-71.7170.3-162.300111.1K1384 G1385 D1391 Q1392K1384-E1388 WeakPolarHBondContact CE-OE1 3.36Å; K1384-E1388 WeakPolarHBondContact O-CG 3.3Å; K1384-E1388 PolarHBondContact O-N 2.73Å; G1385-E1388 PolarHBondContact O-N 3.17Å; E1388-D1391 PolarHBondContact O-N 2.94Å; E1388-Q1392 PolarHBondContact O-N 2.91Å
1389S87.2Confident90.3Very high62 Ų6295 Ų9543%0.43449%0.491SS..Hα-helixtrans-66.3-35.5172.282.60000113G1385 E1386 L1387 Q1392 V1393G1385-S1389 PolarHBondContact O-N 2.99Å; E1386-S1389 PolarHBondContact O-N 3.44Å; E1386-S1389 PolarHBondContact O-OG 3.49Å; L1387-S1389 VanDerWaalsContact C-N 3.29Å; L1387-S1389 PolarHBondContact O-N 3.15Å; S1389-Q1392 PolarHBondContact O-N 2.68Å; S1389-V1393 WeakPolarHBondContact O-CG2 3.33Å; S1389-V1393 PolarHBondContact O-N 2.88Å
1390S86.6Confident90.1Very high59 Ų5997.6 Ų97.641%0.41351%0.505SS..Hα-helixtrans-68.9-36.9175.9-171.10000112.1E1386 L1387 R1394E1386-S1390 WeakPolarHBondContact O-CB 3.38Å; E1386-S1390 PolarHBondContact O-N 3.38Å; L1387-S1390 CarbonylContact O-C 3.56Å; L1387-S1390 WeakPolarHBondContact O-CA 3.47Å; L1387-S1390 WeakPolarHBondContact O-CB 3.35Å; L1387-S1390 PolarHBondContact O-N 3.33Å; S1390-R1394 WeakPolarHBondContact O-CB 3.45Å; S1390-R1394 PolarHBondContact O-N 3.14Å
1391D89Confident89.6Confident72 Ų7299.1 Ų99.139%0.38551%0.506SS..Hα-helixtrans-65.2-43.8173.6-77.98.1000110.8L1387 E1388 R1394 E1395L1387-D1391 PolarHBondContact O-N 3.4Å; E1388-D1391 PolarHBondContact O-N 2.94Å; D1391-R1394 WeakPolarHBondContact O-CB 3.21Å; D1391-R1394 PolarHBondContact O-N 2.68Å; D1391-R1394 VanDerWaalsContact O-N 3.16Å; D1391-R1394 IonicContact OD1-CZ 2.63Å; D1391-R1394 IonicContact OD1-NH1 3.17Å; D1391-R1394 PolarHBondContact OD1-NH1 2.98Å; D1391-R1394 IonicContact OD1-NH2 2.77Å; D1391-R1394 PolarHBondContact OD1-NH2 2.94Å; D1391-E1395 PolarHBondContact O-N 2.91Å
1392Q90.3Very high89.5Confident120 Ų12096.3 Ų96.356%0.56150%0.503SS*.Hα-helixtrans-63.1-43.4174.9-176.3172.468.900112.6E1388 S1389 R1394 E1395 H1396E1388-Q1392 PolarHBondContact O-N 2.91Å; S1389-Q1392 PolarHBondContact O-N 2.68Å; Q1392-R1394 VanDerWaalsContact C-N 3.27Å; Q1392-R1394 PolarHBondContact O-N 2.65Å; Q1392-E1395 PolarHBondContact O-N 3.35Å; Q1392-H1396 PolarHBondContact O-CD2 3.33Å; Q1392-H1396 PolarHBondContact O-N 2.91Å
1393V91.7Very high89.1Confident92 Ų9293.9 Ų93.956%0.55849%0.493SS*.Hα-helixtrans-61.9-36.9173.3170.20000111.1S1389 T1397S1389-V1393 WeakPolarHBondContact O-CG2 3.33Å; S1389-V1393 PolarHBondContact O-N 2.88Å; V1393-T1397 WeakPolarHBondContact O-CB 3.48Å; V1393-T1397 PolarHBondContact O-N 2.99Å; V1393-T1397 PolarHBondContact O-OG1 2.61Å
1394R88.5Confident88.8Confident131 Ų13194.8 Ų94.849%0.49450%0.498SS..Hα-helixtrans-68.5-38176.4-162.2-174.8-47.8118.319112.3S1390 D1391 Q1392 T1397 S1398S1390-R1394 WeakPolarHBondContact O-CB 3.45Å; S1390-R1394 PolarHBondContact O-N 3.14Å; D1391-R1394 WeakPolarHBondContact O-CB 3.21Å; D1391-R1394 PolarHBondContact O-N 2.68Å; D1391-R1394 VanDerWaalsContact O-N 3.16Å; D1391-R1394 IonicContact OD1-CZ 2.63Å; D1391-R1394 IonicContact OD1-NH1 3.17Å; D1391-R1394 PolarHBondContact OD1-NH1 2.98Å; D1391-R1394 IonicContact OD1-NH2 2.77Å; D1391-R1394 PolarHBondContact OD1-NH2 2.94Å; Q1392-R1394 VanDerWaalsContact C-N 3.27Å; Q1392-R1394 PolarHBondContact O-N 2.65Å; R1394-T1397 PolarHBondContact O-N 3.48Å; R1394-S1398 WeakPolarHBondContact O-CB 3.22Å; R1394-S1398 PolarHBondContact O-N 3.44Å
1395E91.1Very high88.5Confident136 Ų13696.2 Ų96.264%0.63651%0.506SS*.Hα-helixtrans-64.5-48.9173.7-173176.7-175.600111.2D1391 Q1392 T1397 S1398 H1399D1391-E1395 PolarHBondContact O-N 2.91Å; Q1392-E1395 PolarHBondContact O-N 3.35Å; E1395-T1397 VanDerWaalsContact C-N 3.31Å; E1395-T1397 PolarHBondContact O-N 2.86Å; E1395-S1398 PolarHBondContact O-N 2.9Å; E1395-H1399 PolarHBondContact O-N 2.86Å
1396H87.6Confident88.7Confident114 Ų114100.6 Ų100.653%0.52852%0.515SS..Hα-helixtrans-57.9-41.7173.6-71.2-52.3000112.5Q1392 H1399 L1400Q1392-H1396 PolarHBondContact O-CD2 3.33Å; Q1392-H1396 PolarHBondContact O-N 2.91Å; H1396-H1399 WeakPolarHBondContact O-CB 3.31Å; H1396-H1399 PolarHBondContact O-N 3.18Å; H1396-L1400 PolarHBondContact O-N 3Å
1397T88.6Confident88.6Confident63 Ų63102.3 Ų102.339%0.38752%0.523SS..Hα-helixtrans-61.5-46.8175.1-53.30000111.1V1393 R1394 E1395 H1399 L1400 E1401V1393-T1397 WeakPolarHBondContact O-CB 3.48Å; V1393-T1397 PolarHBondContact O-N 2.99Å; V1393-T1397 PolarHBondContact O-OG1 2.61Å; R1394-T1397 PolarHBondContact O-N 3.48Å; E1395-T1397 VanDerWaalsContact C-N 3.31Å; E1395-T1397 PolarHBondContact O-N 2.86Å; T1397-H1399 VanDerWaalsContact C-N 3.26Å; T1397-H1399 PolarHBondContact O-N 3.06Å; T1397-L1400 PolarHBondContact O-N 3.43Å; T1397-E1401 WeakPolarHBondContact O-CG 3.31Å; T1397-E1401 PolarHBondContact O-N 3.43Å
1398S89.4Confident88.5Confident70 Ų70102.9 Ų102.949%0.4952%0.524SS..Hα-helixtrans-62.4-32.3176.7-174.50000112.7R1394 E1395 A1402R1394-S1398 WeakPolarHBondContact O-CB 3.22Å; R1394-S1398 PolarHBondContact O-N 3.44Å; E1395-S1398 PolarHBondContact O-N 2.9Å; S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 2.92Å
1399H89Confident88.2Confident124 Ų12499.7 Ų99.757%0.57452%0.519SS*.Hα-helixtrans-68.5-45.4175-136.699.7000111.2E1395 H1396 T1397 A1402 E1403E1395-H1399 PolarHBondContact O-N 2.86Å; H1396-H1399 WeakPolarHBondContact O-CB 3.31Å; H1396-H1399 PolarHBondContact O-N 3.18Å; T1397-H1399 VanDerWaalsContact C-N 3.26Å; T1397-H1399 PolarHBondContact O-N 3.06Å; H1399-A1402 PolarHBondContact O-N 3.25Å; H1399-E1403 WeakPolarHBondContact O-CG 3.36Å; H1399-E1403 PolarHBondContact O-N 2.88Å
1400L89.5Confident88.2Confident124 Ų12498.8 Ų98.865%0.64952%0.515SS*.Hα-helixtrans-61.8-40.6174.2-85.1154.9000112.5H1396 T1397 E1403 L1404H1396-L1400 PolarHBondContact O-N 3Å; T1397-L1400 PolarHBondContact O-N 3.43Å; L1400-E1403 PolarHBondContact O-N 2.93Å; L1400-L1404 WeakPolarHBondContact O-CB 3.27Å; L1400-L1404 PolarHBondContact O-N 3.3Å
1401E81.8Confident88.2Confident125 Ų12598 Ų9858%0.58451%0.512SS*.Hα-helixtrans-64.3-42.7173.7-73.2-179.8165.800111.9T1397 L1404 E1405T1397-E1401 WeakPolarHBondContact O-CG 3.31Å; T1397-E1401 PolarHBondContact O-N 3.43Å; E1401-L1404 PolarHBondContact O-N 3.21Å; E1401-E1405 PolarHBondContact O-N 3.34Å
1402A88.9Confident87.8Confident59 Ų5998.2 Ų98.249%0.48852%0.519SS..Hα-helixtrans-65.3-37.5176.300000112.5S1398 H1399 K1406S1398-A1402 WeakPolarHBondContact O-CB 3.34Å; S1398-A1402 PolarHBondContact O-N 2.92Å; H1399-A1402 PolarHBondContact O-N 3.25Å; A1402-K1406 WeakPolarHBondContact O-CB 3.39Å; A1402-K1406 PolarHBondContact O-N 3.4Å
1403E86.6Confident87.6Confident83 Ų8394.7 Ų94.739%0.38851%0.51SS..Hα-helixtrans-67.7-40.2172.4-69.1-129104.900112.1H1399 L1400 K1406 H1407H1399-E1403 WeakPolarHBondContact O-CG 3.36Å; H1399-E1403 PolarHBondContact O-N 2.88Å; L1400-E1403 PolarHBondContact O-N 2.93Å; E1403-K1406 WeakPolarHBondContact O-CB 3.44Å; E1403-K1406 PolarHBondContact O-N 2.88Å; E1403-K1406 IonicContact OE1-NZ 2.62Å; E1403-K1406 PolarHBondContact OE1-NZ 3.05Å; E1403-H1407 WeakPolarHBondContact O-CB 3.35Å; E1403-H1407 PolarHBondContact O-CD2 2.88Å; E1403-H1407 VanDerWaalsContact O-CD2 3.25Å; E1403-H1407 PolarHBondContact O-N 2.85Å
1404L86Confident87.3Confident116 Ų11695.4 Ų95.461%0.60751%0.508SS*.Hα-helixtrans-65.6-42.6177-176.460.4000112.1L1400 E1401 H1407 M1408L1400-L1404 WeakPolarHBondContact O-CB 3.27Å; L1400-L1404 PolarHBondContact O-N 3.3Å; E1401-L1404 PolarHBondContact O-N 3.21Å; L1404-H1407 PolarHBondContact O-N 2.9Å; L1404-M1408 WeakPolarHBondContact O-CB 3.29Å; L1404-M1408 VanDerWaalsContact O-CG 3.28Å; L1404-M1408 WeakPolarHBondContact O-CG 3.27Å; L1404-M1408 PolarHBondContact O-N 3.36Å
1405E86.4Confident87.1Confident127 Ų12793.4 Ų93.459%0.59351%0.512SS*.Hα-helixtrans-66-39.1174.4-178.857.6-151.900111.4E1401 H1407 M1408 A1409E1401-E1405 PolarHBondContact O-N 3.34Å; E1405-H1407 PolarHBondContact O-N 2.89Å; E1405-M1408 PolarHBondContact O-N 3.29Å; E1405-A1409 VanDerWaalsContact O-CB 3.31Å; E1405-A1409 WeakPolarHBondContact O-CB 3.37Å; E1405-A1409 PolarHBondContact O-N 3.39Å
1406K92.7Very high86.8Confident128 Ų12892.3 Ų92.356%0.55751%0.508SS*.Hα-helixtrans-59.7-42171.2168.7-173163.3-158.60111.7A1402 E1403 A1410A1402-K1406 WeakPolarHBondContact O-CB 3.39Å; A1402-K1406 PolarHBondContact O-N 3.4Å; E1403-K1406 WeakPolarHBondContact O-CB 3.44Å; E1403-K1406 PolarHBondContact O-N 2.88Å; E1403-K1406 IonicContact OE1-NZ 2.62Å; E1403-K1406 PolarHBondContact OE1-NZ 3.05Å; K1406-A1410 WeakPolarHBondContact O-CB 3.5Å; K1406-A1410 PolarHBondContact O-N 2.9Å
1407H87.3Confident86.8Confident125 Ų12590.2 Ų90.258%0.57950%0.5SS*.Hα-helixtrans-67.4-40.6173.2-88.3-75.3000112.6E1403 L1404 E1405 A1410 A1411E1403-H1407 WeakPolarHBondContact O-CB 3.35Å; E1403-H1407 PolarHBondContact O-CD2 2.88Å; E1403-H1407 VanDerWaalsContact O-CD2 3.25Å; E1403-H1407 PolarHBondContact O-N 2.85Å; L1404-H1407 PolarHBondContact O-N 2.9Å; E1405-H1407 PolarHBondContact O-N 2.89Å; H1407-A1410 PolarHBondContact O-N 3.07Å; H1407-A1411 WeakPolarHBondContact O-CB 3.5Å; H1407-A1411 PolarHBondContact O-N 3.32Å
1408M89Confident86.5Confident110 Ų11094.2 Ų94.254%0.54251%0.509SS..Hα-helixtrans-62.6-42.5174.5-73.2-96.462.500111.7L1404 E1405 S1412L1404-M1408 WeakPolarHBondContact O-CB 3.29Å; L1404-M1408 VanDerWaalsContact O-CG 3.28Å; L1404-M1408 WeakPolarHBondContact O-CG 3.27Å; L1404-M1408 PolarHBondContact O-N 3.36Å; E1405-M1408 PolarHBondContact O-N 3.29Å; M1408-S1412 WeakPolarHBondContact O-CB 3.41Å; M1408-S1412 PolarHBondContact O-N 3.48Å
1409A85.4Confident86.3Confident54 Ų5493.9 Ų93.945%0.44651%0.511SS..Hα-helixtrans-65.1-41.4175.600000112.1E1405 S1412 A1413E1405-A1409 VanDerWaalsContact O-CB 3.31Å; E1405-A1409 WeakPolarHBondContact O-CB 3.37Å; E1405-A1409 PolarHBondContact O-N 3.39Å; A1409-S1412 PolarHBondContact O-N 3.14Å; A1409-A1413 WeakPolarHBondContact O-CB 3.42Å; A1409-A1413 PolarHBondContact O-N 3.21Å
1410A87.5Confident86.2Confident43 Ų4392.8 Ų92.836%0.35550%0.504SS..Hα-helixtrans-63-53.1174.900000111.8K1406 H1407 S1412 A1413 E1414K1406-A1410 WeakPolarHBondContact O-CB 3.5Å; K1406-A1410 PolarHBondContact O-N 2.9Å; H1407-A1410 PolarHBondContact O-N 3.07Å; A1410-S1412 VanDerWaalsContact C-N 3.28Å; A1410-S1412 PolarHBondContact O-N 3.3Å; A1410-A1413 WeakPolarHBondContact O-CA 3.28Å; A1410-A1413 WeakPolarHBondContact O-CB 3.21Å; A1410-A1413 PolarHBondContact O-N 2.76Å; A1410-E1414 PolarHBondContact O-N 3.19Å
1411A86Confident86.1Confident43 Ų4392.4 Ų92.436%0.35550%0.499SS..Hα-helixtrans-59.2-38.3177.100000112.2H1407 E1414 C1415H1407-A1411 WeakPolarHBondContact O-CB 3.5Å; H1407-A1411 PolarHBondContact O-N 3.32Å; A1411-E1414 PolarHBondContact O-N 2.87Å; A1411-C1415 WeakPolarHBondContact O-CB 3.46Å; A1411-C1415 PolarHBondContact O-N 3.5Å; A1411-C1415 PolarHBondContact O-SG 3.07Å
1412S80Confident86.4Confident75 Ų7589.7 Ų89.752%0.52449%0.491SS..Hα-helixtrans-65.6-37.8174.2-173.60000112.5M1408 A1409 A1410 Q1416M1408-S1412 WeakPolarHBondContact O-CB 3.41Å; M1408-S1412 PolarHBondContact O-N 3.48Å; A1409-S1412 PolarHBondContact O-N 3.14Å; A1410-S1412 VanDerWaalsContact C-N 3.28Å; A1410-S1412 PolarHBondContact O-N 3.3Å; S1412-Q1416 VanDerWaalsContact O-CB 3.3Å; S1412-Q1416 WeakPolarHBondContact O-CB 3.42Å; S1412-Q1416 PolarHBondContact O-N 2.86Å
1413A87.3Confident86.2Confident46 Ų4689.7 Ų89.738%0.3849%0.491SS..Hα-helixtrans-67.9-41.6174.100000112.1A1409 A1410 Q1416 N1417A1409-A1413 WeakPolarHBondContact O-CB 3.42Å; A1409-A1413 PolarHBondContact O-N 3.21Å; A1410-A1413 WeakPolarHBondContact O-CA 3.28Å; A1410-A1413 WeakPolarHBondContact O-CB 3.21Å; A1410-A1413 PolarHBondContact O-N 2.76Å; A1413-Q1416 CarbonylContact O-C 3.56Å; A1413-Q1416 WeakPolarHBondContact O-CB 3.44Å; A1413-Q1416 PolarHBondContact O-N 3.18Å; A1413-N1417 VanDerWaalsContact O-CG 3.25Å; A1413-N1417 PolarHBondContact O-N 3.36Å; A1413-N1417 PolarHBondContact O-OD1 2.7Å
1414E85.6Confident86.2Confident108 Ų10887.6 Ų87.651%0.50549%0.491SS..Hα-helixtrans-62.7-51.7173.9-73.5176.4-156.700111.9A1410 A1411 Q1416 N1417 Y1418A1410-E1414 PolarHBondContact O-N 3.19Å; A1411-E1414 PolarHBondContact O-N 2.87Å; E1414-Q1416 PolarHBondContact O-N 3.41Å; E1414-N1417 CarbonylContact O-C 3.58Å; E1414-N1417 WeakPolarHBondContact O-CA 3.38Å; E1414-N1417 WeakPolarHBondContact O-CB 3.28Å; E1414-N1417 PolarHBondContact O-N 2.84Å; E1414-Y1418 HydrophobicContact CB-CE2 4.3Å; E1414-Y1418 WeakPolarHBondContact O-CD2 3.4Å; E1414-Y1418 PolarHBondContact O-N 2.83Å
1415C84.3Confident86.4Confident88 Ų8887.7 Ų87.760%0.59549%0.492SS*.Hα-helixtrans-55.4-36.1173.3-70.60000111.9A1411 N1417 A1419A1411-C1415 WeakPolarHBondContact O-CB 3.46Å; A1411-C1415 PolarHBondContact O-N 3.5Å; A1411-C1415 PolarHBondContact O-SG 3.07Å; C1415-N1417 VanDerWaalsContact C-N 3.35Å; C1415-A1419 VanDerWaalsContact O-CB 3.26Å; C1415-A1419 WeakPolarHBondContact O-CB 3.48Å; C1415-A1419 PolarHBondContact O-N 2.84Å
1416Q83.7Confident86.4Confident114 Ų11490.1 Ų90.153%0.53350%0.496SS..Hα-helixtrans-73.4-23.6174.4-157-161.1106.100113.1S1412 A1413 E1414 K1420S1412-Q1416 VanDerWaalsContact O-CB 3.3Å; S1412-Q1416 WeakPolarHBondContact O-CB 3.42Å; S1412-Q1416 PolarHBondContact O-N 2.86Å; A1413-Q1416 CarbonylContact O-C 3.56Å; A1413-Q1416 WeakPolarHBondContact O-CB 3.44Å; A1413-Q1416 PolarHBondContact O-N 3.18Å; E1414-Q1416 PolarHBondContact O-N 3.41Å; Q1416-K1420 VanDerWaalsContact O-CD 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CD 3.49Å; Q1416-K1420 WeakPolarHBondContact O-CE 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CG 3.33Å; Q1416-K1420 PolarHBondContact O-N 2.76Å; Q1416-K1420 PolarHBondContact O-NZ 2.92Å
1417N88Confident86.2Confident70 Ų7089.5 Ų89.537%0.37450%0.495SS..Hα-helixtrans-78.6-49.6173.3-70-16.2000111A1413 E1414 C1415 A1419 K1420 E1421A1413-N1417 VanDerWaalsContact O-CG 3.25Å; A1413-N1417 PolarHBondContact O-N 3.36Å; A1413-N1417 PolarHBondContact O-OD1 2.7Å; E1414-N1417 CarbonylContact O-C 3.58Å; E1414-N1417 WeakPolarHBondContact O-CA 3.38Å; E1414-N1417 WeakPolarHBondContact O-CB 3.28Å; E1414-N1417 PolarHBondContact O-N 2.84Å; C1415-N1417 VanDerWaalsContact C-N 3.35Å; N1417-A1419 PolarHBondContact O-N 2.85Å; N1417-K1420 WeakPolarHBondContact O-CA 3.37Å; N1417-K1420 WeakPolarHBondContact O-CB 3.3Å; N1417-K1420 PolarHBondContact O-N 3.41Å; N1417-K1420 PolarHBondContact OD1-NZ 3.33Å; N1417-E1421 PolarHBondContact O-N 3.35Å
1418Y81.1Confident86.3Confident146 Ų14688.5 Ų88.557%0.57349%0.493SS*.Hα-helixtrans-52.5-40.9169.8-69.7-61.7000111.7E1414 K1420 E1421 V1422E1414-Y1418 HydrophobicContact CB-CE2 4.3Å; E1414-Y1418 WeakPolarHBondContact O-CD2 3.4Å; E1414-Y1418 PolarHBondContact O-N 2.83Å; Y1418-K1420 VanDerWaalsContact C-N 3.32Å; Y1418-K1420 PolarHBondContact O-N 3Å; Y1418-E1421 PolarHBondContact O-N 3.13Å; Y1418-V1422 WeakPolarHBondContact O-CB 3.38Å; Y1418-V1422 VanDerWaalsContact O-CG2 3.29Å; Y1418-V1422 WeakPolarHBondContact O-CG2 3.43Å; Y1418-V1422 PolarHBondContact O-N 3.12Å
1419A85.9Confident86.3Confident63 Ų6389 Ų8952%0.52150%0.498SS..Hα-helixtrans-66-27.7175.100000114.4C1415 N1417 A1423C1415-A1419 VanDerWaalsContact O-CB 3.26Å; C1415-A1419 WeakPolarHBondContact O-CB 3.48Å; C1415-A1419 PolarHBondContact O-N 2.84Å; N1417-A1419 PolarHBondContact O-N 2.85Å; A1419-A1423 VanDerWaalsContact O-CB 3.29Å; A1419-A1423 WeakPolarHBondContact O-CB 3.49Å; A1419-A1423 PolarHBondContact O-N 3.09Å
1420K87.5Confident86.4Confident101 Ų10192.1 Ų92.144%0.43951%0.506SS..Hα-helixtrans-77.3-42172.5-66.9155.6-157.4148.30110.9Q1416 N1417 Y1418 A1423 G1424Q1416-K1420 VanDerWaalsContact O-CD 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CD 3.49Å; Q1416-K1420 WeakPolarHBondContact O-CE 3.26Å; Q1416-K1420 WeakPolarHBondContact O-CG 3.33Å; Q1416-K1420 PolarHBondContact O-N 2.76Å; Q1416-K1420 PolarHBondContact O-NZ 2.92Å; N1417-K1420 WeakPolarHBondContact O-CA 3.37Å; N1417-K1420 WeakPolarHBondContact O-CB 3.3Å; N1417-K1420 PolarHBondContact O-N 3.41Å; N1417-K1420 PolarHBondContact OD1-NZ 3.33Å; Y1418-K1420 VanDerWaalsContact C-N 3.32Å; Y1418-K1420 PolarHBondContact O-N 3Å; K1420-A1423 PolarHBondContact O-N 3.15Å; K1420-G1424 PolarHBondContact O-N 3.47Å
1421E87.1Confident86.4Confident116 Ų11694.2 Ų94.254%0.54251%0.509SS..Hα-helixtrans-67.7-47.2-179.5-73165.4-164.100111.1N1417 Y1418 A1423 G1424 L1425N1417-E1421 PolarHBondContact O-N 3.35Å; Y1418-E1421 PolarHBondContact O-N 3.13Å; E1421-A1423 VanDerWaalsContact C-N 3.26Å; E1421-A1423 PolarHBondContact O-N 3.31Å; E1421-G1424 CarbonylContact O-C 3.58Å; E1421-G1424 WeakPolarHBondContact O-CA 3.34Å; E1421-G1424 PolarHBondContact O-N 2.95Å; E1421-L1425 WeakPolarHBondContact O-CG 3.38Å; E1421-L1425 PolarHBondContact O-N 2.91Å
1422V87Confident86.3Confident69 Ų6994 Ų9442%0.41850%0.504SS..Hα-helixtrans-60.7-34.8172.6172.10000111.6Y1418 R1426Y1418-V1422 WeakPolarHBondContact O-CB 3.38Å; Y1418-V1422 VanDerWaalsContact O-CG2 3.29Å; Y1418-V1422 WeakPolarHBondContact O-CG2 3.43Å; Y1418-V1422 PolarHBondContact O-N 3.12Å; V1422-R1426 WeakPolarHBondContact O-CB 3.37Å; V1422-R1426 WeakPolarHBondContact O-CD 3.45Å; V1422-R1426 WeakPolarHBondContact O-CG 3.36Å; V1422-R1426 PolarHBondContact O-N 3.46Å
1423A85.4Confident86.6Confident58 Ų5895.9 Ų95.948%0.47951%0.505SS..Hα-helixtrans-69.2-38.4172.700000112.5A1419 K1420 E1421 Q1427A1419-A1423 VanDerWaalsContact O-CB 3.29Å; A1419-A1423 WeakPolarHBondContact O-CB 3.49Å; A1419-A1423 PolarHBondContact O-N 3.09Å; K1420-A1423 PolarHBondContact O-N 3.15Å; E1421-A1423 VanDerWaalsContact C-N 3.26Å; E1421-A1423 PolarHBondContact O-N 3.31Å; A1423-Q1427 WeakPolarHBondContact O-CB 3.46Å; A1423-Q1427 PolarHBondContact O-N 2.84Å
1424G87.2Confident86.6Confident39 Ų3996.6 Ų96.640%0.40251%0.507SS..Hα-helixtrans-67.2-43.3175.100000113.1K1420 E1421 Q1427 L1428K1420-G1424 PolarHBondContact O-N 3.47Å; E1421-G1424 CarbonylContact O-C 3.58Å; E1421-G1424 WeakPolarHBondContact O-CA 3.34Å; E1421-G1424 PolarHBondContact O-N 2.95Å; G1424-Q1427 WeakPolarHBondContact O-CB 3.46Å; G1424-Q1427 PolarHBondContact O-N 3.17Å; G1424-L1428 WeakPolarHBondContact O-CB 3.25Å; G1424-L1428 PolarHBondContact O-N 3.43Å
1425L89Confident86.6Confident119 Ų11997.3 Ų97.362%0.62351%0.51SS*.Hα-helixtrans-64.7-39174.6-69.1171.7000111.5E1421 L1428 L1429E1421-L1425 WeakPolarHBondContact O-CG 3.38Å; E1421-L1425 PolarHBondContact O-N 2.91Å; L1425-L1428 PolarHBondContact O-N 3.03Å; L1425-L1429 VanDerWaalsContact O-CB 3.32Å; L1425-L1429 WeakPolarHBondContact O-CB 3.07Å; L1425-L1429 PolarHBondContact O-N 2.62Å
1426R87.5Confident86.6Confident178 Ų17896.6 Ų96.667%0.67250%0.5SS*.Hα-helixtrans-64.8-40.6172.4-75.3170.7-175.8-130.50.8112.4V1422 L1430V1422-R1426 WeakPolarHBondContact O-CB 3.37Å; V1422-R1426 WeakPolarHBondContact O-CD 3.45Å; V1422-R1426 WeakPolarHBondContact O-CG 3.36Å; V1422-R1426 PolarHBondContact O-N 3.46Å; R1426-L1430 WeakPolarHBondContact O-CB 3.42Å; R1426-L1430 PolarHBondContact O-N 3.42Å; R1426-L1430 VanDerWaalsContact O-N 3.08Å
1427Q88.5Confident86.6Confident115 Ų11595.5 Ų95.554%0.53750%0.498SS..Hα-helixtrans-60-48.7173.5-178.778.64000110.4A1423 G1424 L1429 L1430 E1431A1423-Q1427 WeakPolarHBondContact O-CB 3.46Å; A1423-Q1427 PolarHBondContact O-N 2.84Å; G1424-Q1427 WeakPolarHBondContact O-CB 3.46Å; G1424-Q1427 PolarHBondContact O-N 3.17Å; Q1427-L1429 PolarHBondContact O-N 3Å; Q1427-L1430 PolarHBondContact O-N 3.21Å; Q1427-E1431 WeakPolarHBondContact CG-OE1 3.31Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.39Å; Q1427-E1431 WeakPolarHBondContact O-CG 3.3Å; Q1427-E1431 PolarHBondContact O-N 3.07Å
1428L89Confident86.4Confident103 Ų10398.4 Ų98.454%0.53951%0.509SS..Hα-helixtrans-64.4-38.5-179.7-15579000112.5G1424 L1425 E1431 S1432G1424-L1428 WeakPolarHBondContact O-CB 3.25Å; G1424-L1428 PolarHBondContact O-N 3.43Å; L1425-L1428 PolarHBondContact O-N 3.03Å; L1428-E1431 PolarHBondContact O-N 3.3Å; L1428-S1432 VanDerWaalsContact O-CB 3.31Å; L1428-S1432 WeakPolarHBondContact O-CB 3.26Å; L1428-S1432 PolarHBondContact O-N 3.09Å
1429L88.4Confident86.5Confident122 Ų12293 Ų9364%0.63950%0.495SS*.Hα-helixtrans-64.6-40.6174.9-175.167.6000111.6L1425 Q1427 S1432 Q1433L1425-L1429 VanDerWaalsContact O-CB 3.32Å; L1425-L1429 WeakPolarHBondContact O-CB 3.07Å; L1425-L1429 PolarHBondContact O-N 2.62Å; Q1427-L1429 PolarHBondContact O-N 3Å; L1429-S1432 PolarHBondContact O-N 3.42Å; L1429-Q1433 WeakPolarHBondContact O-CB 3.41Å; L1429-Q1433 PolarHBondContact O-N 3.03Å
1430L87.9Confident86.4Confident118 Ų11897.2 Ų97.262%0.61850%0.502SS*.Hα-helixtrans-71-37.4178.9-138.2160.3000111.5R1426 Q1427 Q1433 S1434R1426-L1430 WeakPolarHBondContact O-CB 3.42Å; R1426-L1430 PolarHBondContact O-N 3.42Å; R1426-L1430 VanDerWaalsContact O-N 3.08Å; Q1427-L1430 PolarHBondContact O-N 3.21Å; L1430-Q1433 PolarHBondContact O-N 3.12Å; L1430-S1434 WeakPolarHBondContact O-CB 3.35Å; L1430-S1434 PolarHBondContact O-N 3.5Å
1431E87.8Confident86.1Confident88 Ų8896.5 Ų96.541%0.41151%0.509SS..Hα-helixtrans-67.2-37.8171.5-74169.7-16700112Q1427 L1428 Q1435Q1427-E1431 WeakPolarHBondContact CG-OE1 3.31Å; Q1427-E1431 PolarHBondContact NE2-OE1 3.39Å; Q1427-E1431 WeakPolarHBondContact O-CG 3.3Å; Q1427-E1431 PolarHBondContact O-N 3.07Å; L1428-E1431 PolarHBondContact O-N 3.3Å; E1431-Q1435 WeakPolarHBondContact O-CB 3.34Å; E1431-Q1435 WeakPolarHBondContact O-CG 3.38Å; E1431-Q1435 PolarHBondContact O-N 3.1Å; E1431-Q1435 PolarHBondContact O-NE2 2.81Å
1432S84.4Confident85.9Confident38 Ų3893.9 Ų93.927%0.26650%0.497SS..Hα-helixtrans-68.4-35.2173.4-170.40000112.4L1428 L1429 L1436 Q1566L1428-S1432 VanDerWaalsContact O-CB 3.31Å; L1428-S1432 WeakPolarHBondContact O-CB 3.26Å; L1428-S1432 PolarHBondContact O-N 3.09Å; L1429-S1432 PolarHBondContact O-N 3.42Å; S1432-L1436 WeakPolarHBondContact O-CB 3.46Å; S1432-L1436 PolarHBondContact O-N 2.65Å; S1432-Q1566 PolarHBondContact OG-NE2 2.78Å; S1432-Q1566 VanDerWaalsContact OG-NE2 3.16Å
1433Q85.7Confident85.6Confident115 Ų11593.1 Ų93.154%0.53750%0.498SS..Hα-helixtrans-69-45.8175.7-173.2169.916.100110.8L1429 L1430 Q1435 L1436 D1437L1429-Q1433 WeakPolarHBondContact O-CB 3.41Å; L1429-Q1433 PolarHBondContact O-N 3.03Å; L1430-Q1433 PolarHBondContact O-N 3.12Å; Q1433-Q1435 VanDerWaalsContact C-N 3.31Å; Q1433-Q1435 PolarHBondContact O-N 3.06Å; Q1433-L1436 WeakPolarHBondContact O-CB 3.18Å; Q1433-L1436 PolarHBondContact O-N 2.97Å; Q1433-L1436 VanDerWaalsContact O-N 3.11Å; Q1433-D1437 PolarHBondContact O-N 2.84Å
1434S88Confident85.6Confident61 Ų6195.5 Ų95.543%0.42750%0.499SS..Hα-helixtrans-58.6-41.3174.8-166.70000112.4L1430 D1437 E1438L1430-S1434 WeakPolarHBondContact O-CB 3.35Å; L1430-S1434 PolarHBondContact O-N 3.5Å; S1434-D1437 PolarHBondContact O-N 3.38Å; S1434-E1438 WeakPolarHBondContact O-CB 3.41Å; S1434-E1438 WeakPolarHBondContact O-CG 3.31Å; S1434-E1438 PolarHBondContact O-N 3.04Å
1435Q84.8Confident85.6Confident123 Ų12398.5 Ų98.558%0.57550%0.501SS*.Hα-helixtrans-67.6-34.9175.5-78.4166.674.600112.7E1431 Q1433 A1439E1431-Q1435 WeakPolarHBondContact O-CB 3.34Å; E1431-Q1435 WeakPolarHBondContact O-CG 3.38Å; E1431-Q1435 PolarHBondContact O-N 3.1Å; E1431-Q1435 PolarHBondContact O-NE2 2.81Å; Q1433-Q1435 VanDerWaalsContact C-N 3.31Å; Q1433-Q1435 PolarHBondContact O-N 3.06Å; Q1435-A1439 WeakPolarHBondContact O-CB 3.25Å; Q1435-A1439 PolarHBondContact O-N 2.77Å
1436L84.9Confident85.3Confident72 Ų7294.3 Ų94.338%0.37748%0.478SS..Hα-helixtrans-66.7-42174.8-17371000111.3S1432 Q1433 K1440 L1569S1432-L1436 WeakPolarHBondContact O-CB 3.46Å; S1432-L1436 PolarHBondContact O-N 2.65Å; Q1433-L1436 WeakPolarHBondContact O-CB 3.18Å; Q1433-L1436 PolarHBondContact O-N 2.97Å; Q1433-L1436 VanDerWaalsContact O-N 3.11Å; L1436-K1440 VanDerWaalsContact O-CB 3.24Å; L1436-K1440 WeakPolarHBondContact O-CB 3.35Å; L1436-K1440 PolarHBondContact O-N 3.47Å; L1436-L1569 HydrophobicContact CD1-CD1 3.77Å; L1436-L1569 HydrophobicContact CD1-CD2 4.01Å
1437D83.7Confident85Confident92 Ų9289.2 Ų89.249%0.49247%0.47SS..Hα-helixtrans-68.9-41.1177.9-69.2-35.9000111.8Q1433 S1434 K1440 S1441Q1433-D1437 PolarHBondContact O-N 2.84Å; S1434-D1437 PolarHBondContact O-N 3.38Å; D1437-K1440 PolarHBondContact O-N 2.89Å; D1437-S1441 PolarHBondContact O-N 3.42Å
1438E83.9Confident84.6Confident130 Ų13088 Ų8861%0.60747%0.467SS*.Hα-helixtrans-62.9-47.8172.1-76.9-178.2143.200111.8S1434 K1440 S1441 E1442S1434-E1438 WeakPolarHBondContact O-CB 3.41Å; S1434-E1438 WeakPolarHBondContact O-CG 3.31Å; S1434-E1438 PolarHBondContact O-N 3.04Å; E1438-K1440 VanDerWaalsContact C-N 3.3Å; E1438-K1440 PolarHBondContact O-N 3.12Å; E1438-S1441 PolarHBondContact O-N 3.34Å; E1438-E1442 WeakPolarHBondContact O-CB 3.09Å; E1438-E1442 PolarHBondContact O-N 3.17Å
1439A82.2Confident84.3Confident33 Ų3387.2 Ų87.227%0.27346%0.461SS..Hα-helixtrans-61.3-38.1177.200000112Q1435 A1443Q1435-A1439 WeakPolarHBondContact O-CB 3.25Å; Q1435-A1439 PolarHBondContact O-N 2.77Å; A1439-A1443 VanDerWaalsContact O-CB 3.22Å; A1439-A1443 WeakPolarHBondContact O-CB 3.28Å; A1439-A1443 PolarHBondContact O-N 3.36Å
1440K84Confident84Confident152 Ų15284.6 Ų84.666%0.66145%0.447SS*.Hα-helixtrans-66.8-40.7175.2-174.2176.2-178.7179.30112.3L1436 D1437 E1438 A1443 Q1444L1436-K1440 VanDerWaalsContact O-CB 3.24Å; L1436-K1440 WeakPolarHBondContact O-CB 3.35Å; L1436-K1440 PolarHBondContact O-N 3.47Å; D1437-K1440 PolarHBondContact O-N 2.89Å; E1438-K1440 VanDerWaalsContact C-N 3.3Å; E1438-K1440 PolarHBondContact O-N 3.12Å; K1440-A1443 PolarHBondContact O-N 3.13Å; K1440-Q1444 PolarHBondContact O-N 3.34Å
1441S81.8Confident83.6Confident85 Ų8581.6 Ų81.659%0.59444%0.439SS*.Hα-helixtrans-69.2-37.2177.4-165.70000112.5D1437 E1438 K1445D1437-S1441 PolarHBondContact O-N 3.42Å; E1438-S1441 PolarHBondContact O-N 3.34Å; S1441-K1445 WeakPolarHBondContact O-CB 3.26Å; S1441-K1445 PolarHBondContact O-N 3.1Å
1442E83.3Confident83.5Confident62 Ų6282.3 Ų82.329%0.2945%0.446SS..Hα-helixtrans-70.8-35.5175175.560.8-163.200111.7E1438 Q1446 K1580E1438-E1442 WeakPolarHBondContact O-CB 3.09Å; E1438-E1442 PolarHBondContact O-N 3.17Å; E1442-Q1446 WeakPolarHBondContact O-CG 3.1Å; E1442-Q1446 PolarHBondContact O-N 3.44Å; E1442-Q1446 PolarHBondContact OE1-NE2 3.26Å; E1442-K1580 IonicContact OE1-NZ 2.73Å; E1442-K1580 PolarHBondContact OE1-NZ 3.39Å
1443A79.8Confident83.3Confident53 Ų5384 Ų8444%0.43845%0.454SS..Hα-helixtrans-68.2-39.9172.900000112.5A1439 K1440 Q1446 S1447A1439-A1443 VanDerWaalsContact O-CB 3.22Å; A1439-A1443 WeakPolarHBondContact O-CB 3.28Å; A1439-A1443 PolarHBondContact O-N 3.36Å; K1440-A1443 PolarHBondContact O-N 3.13Å; A1443-Q1446 PolarHBondContact O-N 3.13Å; A1443-S1447 PolarHBondContact O-N 2.94Å
1444Q86.2Confident82.9Confident108 Ų10884.1 Ų84.151%0.50545%0.449SS..Hα-helixtrans-60.8-51172.2-177.463.555.800110.6K1440 Q1446 S1447 D1448K1440-Q1444 PolarHBondContact O-N 3.34Å; Q1444-Q1446 VanDerWaalsContact C-N 3.27Å; Q1444-Q1446 PolarHBondContact O-N 3.42Å; Q1444-S1447 CarbonylContact O-C 3.58Å; Q1444-S1447 WeakPolarHBondContact O-CA 3.33Å; Q1444-S1447 VanDerWaalsContact O-CB 3.25Å; Q1444-S1447 WeakPolarHBondContact O-CB 3.32Å; Q1444-S1447 PolarHBondContact O-N 3.13Å; Q1444-D1448 PolarHBondContact NE2-OD1 2.84Å; Q1444-D1448 PolarHBondContact O-N 2.78Å
1445K87.5Confident82.6Confident102 Ų10286.9 Ų86.944%0.44346%0.456SS..Hα-helixtrans-56.9-40.1178.9-178.7174.2173.8-67.70112.5S1441 D1448 E1449S1441-K1445 WeakPolarHBondContact O-CB 3.26Å; S1441-K1445 PolarHBondContact O-N 3.1Å; K1445-D1448 PolarHBondContact O-N 3.21Å; K1445-E1449 IonicContact NZ-OE1 3.75Å; K1445-E1449 PolarHBondContact NZ-OE1 3.33Å; K1445-E1449 IonicContact NZ-OE2 3.47Å; K1445-E1449 WeakPolarHBondContact O-CB 3.05Å; K1445-E1449 WeakPolarHBondContact O-CG 3.19Å; K1445-E1449 PolarHBondContact O-N 2.92Å
1446Q81.6Confident82.4Confident30 Ų3086.2 Ų86.214%0.1445%0.453CS..Hα-helixtrans-70.1-31.9173.6-75.6176.260.500113.1E1442 A1443 Q1444 D1448 L1450 K1580E1442-Q1446 WeakPolarHBondContact O-CG 3.1Å; E1442-Q1446 PolarHBondContact O-N 3.44Å; E1442-Q1446 PolarHBondContact OE1-NE2 3.26Å; A1443-Q1446 PolarHBondContact O-N 3.13Å; Q1444-Q1446 VanDerWaalsContact C-N 3.27Å; Q1444-Q1446 PolarHBondContact O-N 3.42Å; Q1446-D1448 VanDerWaalsContact C-N 3.33Å; Q1446-L1450 WeakPolarHBondContact O-CB 3.32Å; Q1446-L1450 PolarHBondContact O-N 2.93Å; Q1446-K1580 VanDerWaalsContact OE1-CE 3.25Å
1447S81Confident82Confident71 Ų7187.6 Ų87.650%0.49746%0.46SS..Hα-helixtrans-64.2-39.4170.9-168.90000111.6A1443 Q1444 A1451A1443-S1447 PolarHBondContact O-N 2.94Å; Q1444-S1447 CarbonylContact O-C 3.58Å; Q1444-S1447 WeakPolarHBondContact O-CA 3.33Å; Q1444-S1447 VanDerWaalsContact O-CB 3.25Å; Q1444-S1447 WeakPolarHBondContact O-CB 3.32Å; Q1444-S1447 PolarHBondContact O-N 3.13Å; S1447-A1451 WeakPolarHBondContact O-CB 3.17Å; S1447-A1451 PolarHBondContact O-N 3.16Å
1448D81.3Confident81.5Confident89 Ų8986.7 Ų86.748%0.47646%0.461SS..Hα-helixtrans-69.6-42.5178.1-52.8-29.2000110.9Q1444 K1445 Q1446 A1451 L1452Q1444-D1448 PolarHBondContact NE2-OD1 2.84Å; Q1444-D1448 PolarHBondContact O-N 2.78Å; K1445-D1448 PolarHBondContact O-N 3.21Å; Q1446-D1448 VanDerWaalsContact C-N 3.33Å; D1448-A1451 PolarHBondContact O-N 2.74Å; D1448-L1452 PolarHBondContact O-N 2.9Å
1449E82.7Confident81Confident88 Ų8884 Ų8441%0.41145%0.451SS..Hα-helixtrans-63.2-42.2173.7-74.6169.517800112.3K1445 L1452 V1453K1445-E1449 IonicContact NZ-OE1 3.75Å; K1445-E1449 PolarHBondContact NZ-OE1 3.33Å; K1445-E1449 IonicContact NZ-OE2 3.47Å; K1445-E1449 WeakPolarHBondContact O-CB 3.05Å; K1445-E1449 WeakPolarHBondContact O-CG 3.19Å; K1445-E1449 PolarHBondContact O-N 2.92Å; E1449-L1452 WeakPolarHBondContact O-CB 2.97Å; E1449-L1452 PolarHBondContact O-N 2.94Å; E1449-V1453 WeakPolarHBondContact O-CG2 3.41Å; E1449-V1453 PolarHBondContact O-N 3.31Å
1450L80.8Confident80.4Confident66 Ų6688.2 Ų88.235%0.34647%0.466SS..Hα-helixtrans-71.9-31.5179.4-160.7156.3000111.4Q1446 V1453 R1454Q1446-L1450 WeakPolarHBondContact O-CB 3.32Å; Q1446-L1450 PolarHBondContact O-N 2.93Å; L1450-V1453 PolarHBondContact O-N 3.34Å; L1450-R1454 HydrophobicContact CD2-CG 4.14Å; L1450-R1454 WeakPolarHBondContact O-CB 3.28Å; L1450-R1454 WeakPolarHBondContact O-CG 3.25Å; L1450-R1454 PolarHBondContact O-N 3.07Å
1451A79.6Confident79.7Confident56 Ų5686.6 Ų86.646%0.46346%0.456SS..Hα-helixtrans-64.3-41.8169.100000112.1S1447 D1448 R1454 Q1455S1447-A1451 WeakPolarHBondContact O-CB 3.17Å; S1447-A1451 PolarHBondContact O-N 3.16Å; D1448-A1451 PolarHBondContact O-N 2.74Å; A1451-R1454 PolarHBondContact O-N 3.28Å; A1451-Q1455 PolarHBondContact O-N 2.93Å
1452L85.7Confident78.9Confident103 Ų10384.7 Ų84.754%0.53944%0.443SS..Hα-helixtrans-62.5-43.6175-173.167.5000112D1448 E1449 Q1455 Q1456D1448-L1452 PolarHBondContact O-N 2.9Å; E1449-L1452 WeakPolarHBondContact O-CB 2.97Å; E1449-L1452 PolarHBondContact O-N 2.94Å; L1452-Q1455 PolarHBondContact O-N 2.73Å; L1452-Q1456 WeakPolarHBondContact O-CG 3.22Å; L1452-Q1456 PolarHBondContact O-N 3.2Å
1453V79.9Confident78Confident74 Ų7488.3 Ų88.345%0.44846%0.459SS..Hα-helixtrans-65.3-38.9176.1172.70000111.6E1449 L1450 Q1455 Q1456 L1457E1449-V1453 WeakPolarHBondContact O-CG2 3.41Å; E1449-V1453 PolarHBondContact O-N 3.31Å; L1450-V1453 PolarHBondContact O-N 3.34Å; V1453-Q1455 VanDerWaalsContact C-N 3.32Å; V1453-Q1455 PolarHBondContact O-N 3.33Å; V1453-Q1456 PolarHBondContact O-N 3.2Å; V1453-L1457 HydrophobicContact CG1-CD1 4.03Å; V1453-L1457 HydrophobicContact CG1-CG 4.46Å; V1453-L1457 WeakPolarHBondContact O-CB 3.28Å; V1453-L1457 WeakPolarHBondContact O-CG 3.28Å; V1453-L1457 PolarHBondContact O-N 3.16Å
1454R77.9Confident77.2Confident116 Ų11690.8 Ų90.844%0.43847%0.469SS..Hα-helixtrans-60.7-40172.6-79.8176.2171.7-164.3-3.9111.9L1450 A1451 S1458L1450-R1454 HydrophobicContact CD2-CG 4.14Å; L1450-R1454 WeakPolarHBondContact O-CB 3.28Å; L1450-R1454 WeakPolarHBondContact O-CG 3.25Å; L1450-R1454 PolarHBondContact O-N 3.07Å; A1451-R1454 PolarHBondContact O-N 3.28Å; R1454-S1458 PolarHBondContact O-N 2.82Å
1455Q81.5Confident75.7Confident120 Ų12091.2 Ų91.256%0.56147%0.471SS*.Hα-helixtrans-65.9-49.8174.4-178.4143.420.600111.5A1451 L1452 V1453 L1457 S1458 D1459A1451-Q1455 PolarHBondContact O-N 2.93Å; L1452-Q1455 PolarHBondContact O-N 2.73Å; V1453-Q1455 VanDerWaalsContact C-N 3.32Å; V1453-Q1455 PolarHBondContact O-N 3.33Å; Q1455-L1457 VanDerWaalsContact C-N 3.27Å; Q1455-L1457 PolarHBondContact O-N 3.44Å; Q1455-S1458 CarbonylContact O-C 2.96Å; Q1455-S1458 WeakPolarHBondContact O-CA 3.23Å; Q1455-S1458 VanDerWaalsContact O-CB 3.3Å; Q1455-S1458 WeakPolarHBondContact O-CB 2.98Å; Q1455-S1458 PolarHBondContact O-N 3.5Å; Q1455-D1459 WeakPolarHBondContact CG-OD2 3.26Å; Q1455-D1459 PolarHBondContact O-N 2.87Å
1456Q81.3Confident73.9Confident109 Ų10991.3 Ų91.351%0.50948%0.476SS..Hα-helixtrans-57.7-36.7177.6-72.1-179.1-32.300113.3L1452 V1453 M1460L1452-Q1456 WeakPolarHBondContact O-CG 3.22Å; L1452-Q1456 PolarHBondContact O-N 3.2Å; V1453-Q1456 PolarHBondContact O-N 3.2Å; Q1456-M1460 WeakPolarHBondContact O-CB 3.17Å; Q1456-M1460 PolarHBondContact O-N 3.28Å
1457L76.6Confident72.1Confident100 Ų10093 Ų9352%0.52450%0.502SS..Hα-helixtrans-69.3-35.4173.5-73.6169.8000112.5V1453 Q1455 R1461V1453-L1457 HydrophobicContact CG1-CD1 4.03Å; V1453-L1457 HydrophobicContact CG1-CG 4.46Å; V1453-L1457 WeakPolarHBondContact O-CB 3.28Å; V1453-L1457 WeakPolarHBondContact O-CG 3.28Å; V1453-L1457 PolarHBondContact O-N 3.16Å; Q1455-L1457 VanDerWaalsContact C-N 3.27Å; Q1455-L1457 PolarHBondContact O-N 3.44Å; L1457-R1461 VanDerWaalsContact O-CB 3.25Å; L1457-R1461 WeakPolarHBondContact O-CB 3.43Å; L1457-R1461 PolarHBondContact O-N 3.49Å
1458S72.9Confident70Confident74 Ų7496.8 Ų96.852%0.51752%0.517SS..Hα-helixtrans-66.2-42.9173.1-171.20000111.8R1454 Q1455 R1461 S1462R1454-S1458 PolarHBondContact O-N 2.82Å; Q1455-S1458 CarbonylContact O-C 2.96Å; Q1455-S1458 WeakPolarHBondContact O-CA 3.23Å; Q1455-S1458 VanDerWaalsContact O-CB 3.3Å; Q1455-S1458 WeakPolarHBondContact O-CB 2.98Å; Q1455-S1458 PolarHBondContact O-N 3.5Å; S1458-R1461 WeakPolarHBondContact O-CB 3.02Å; S1458-R1461 PolarHBondContact O-N 3.48Å; S1458-S1462 PolarHBondContact O-N 2.84Å
1459D73.9Confident68Low73 Ų7399 Ų9939%0.3953%0.533SS..Hα-helixtrans-65.9-42.2177.9-55.5-28.5000110.3Q1455 R1461 S1462 H1463Q1455-D1459 WeakPolarHBondContact CG-OD2 3.26Å; Q1455-D1459 PolarHBondContact O-N 2.87Å; D1459-R1461 VanDerWaalsContact C-N 3.34Å; D1459-R1461 PolarHBondContact O-N 3.45Å; D1459-S1462 WeakPolarHBondContact O-CB 3.46Å; D1459-S1462 PolarHBondContact O-N 3.21Å; D1459-H1463 PolarHBondContact O-N 3.4Å
1460M70.2Confident65.9Low122 Ų12299.5 Ų99.560%0.60155%0.552SS**Hα-helixtrans-64.1-37.4173.7-154.376.465.600112.4Q1456 H1463 V1464Q1456-M1460 WeakPolarHBondContact O-CB 3.17Å; Q1456-M1460 PolarHBondContact O-N 3.28Å; M1460-H1463 PolarHBondContact O-N 2.9Å; M1460-V1464 WeakPolarHBondContact O-CG2 2.97Å; M1460-V1464 PolarHBondContact O-N 2.97Å; M1460-V1464 VanDerWaalsContact O-N 3.11Å
1461R68.4Low63.6Low117 Ų11799.9 Ų99.944%0.44257%0.572SS.*Hα-helixtrans-65.4-40.7175.6-174.7-170.7171.7-59.9-18.7111.2L1457 S1458 D1459 V1464 E1465L1457-R1461 VanDerWaalsContact O-CB 3.25Å; L1457-R1461 WeakPolarHBondContact O-CB 3.43Å; L1457-R1461 PolarHBondContact O-N 3.49Å; S1458-R1461 WeakPolarHBondContact O-CB 3.02Å; S1458-R1461 PolarHBondContact O-N 3.48Å; D1459-R1461 VanDerWaalsContact C-N 3.34Å; D1459-R1461 PolarHBondContact O-N 3.45Å; R1461-V1464 PolarHBondContact O-N 2.57Å; R1461-E1465 IonicContact CZ-OE1 2.65Å; R1461-E1465 IonicContact CZ-OE2 3.49Å; R1461-E1465 VanDerWaalsContact NH1-CD 3.34Å; R1461-E1465 IonicContact NH1-OE1 3.37Å; R1461-E1465 IonicContact NH1-OE2 2.83Å; R1461-E1465 PolarHBondContact NH1-OE2 3.09Å; R1461-E1465 VanDerWaalsContact NH2-CD 3.31Å; R1461-E1465 IonicContact NH2-OE1 3.89Å; R1461-E1465 PolarHBondContact NH2-OE1 3.45Å; R1461-E1465 IonicContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact O-N 3.21Å; R1461-E1465 VanDerWaalsContact O-N 3.1Å
1462S65.6Low61.3Low46 Ų46103.1 Ų103.132%0.32259%0.591SS.*Hα-helixtrans-57.8-55169.3142.40000110.2S1458 D1459 V1464 E1465 D1466S1458-S1462 PolarHBondContact O-N 2.84Å; D1459-S1462 WeakPolarHBondContact O-CB 3.46Å; D1459-S1462 PolarHBondContact O-N 3.21Å; S1462-V1464 PolarHBondContact O-N 3.48Å; S1462-E1465 CarbonylContact O-C 3.33Å; S1462-E1465 PolarHBondContact O-N 3.43Å; S1462-D1466 VanDerWaalsContact C-OD2 3.27Å; S1462-D1466 WeakPolarHBondContact O-CB 3.41Å; S1462-D1466 PolarHBondContact O-N 3.2Å; S1462-D1466 PolarHBondContact OG-OD2 3.24Å
1463H63.4Low58.7Low137 Ų137104.4 Ų104.463%0.63461%0.606SS**Hα-helixtrans-60.1-18.4-179.3-71.6-30000115.6D1459 M1460D1459-H1463 PolarHBondContact O-N 3.4Å; M1460-H1463 PolarHBondContact O-N 2.9Å
1464V62.5Low56.4Low105 Ų105105.4 Ų105.464%0.63662%0.622SS**Hα-helixtrans-89.7-29.3172.31740000112.8M1460 R1461 S1462M1460-V1464 WeakPolarHBondContact O-CG2 2.97Å; M1460-V1464 PolarHBondContact O-N 2.97Å; M1460-V1464 VanDerWaalsContact O-N 3.11Å; R1461-V1464 PolarHBondContact O-N 2.57Å; S1462-V1464 PolarHBondContact O-N 3.48Å
1465E54.7Low54.2Low117 Ų117106.6 Ų106.655%0.54764%0.642SS.*Hα-helixtrans-80.9-32.7171.1-73.5-173.1154.500112.7R1461 S1462 G1467R1461-E1465 IonicContact CZ-OE1 2.65Å; R1461-E1465 IonicContact CZ-OE2 3.49Å; R1461-E1465 VanDerWaalsContact NH1-CD 3.34Å; R1461-E1465 IonicContact NH1-OE1 3.37Å; R1461-E1465 IonicContact NH1-OE2 2.83Å; R1461-E1465 PolarHBondContact NH1-OE2 3.09Å; R1461-E1465 VanDerWaalsContact NH2-CD 3.31Å; R1461-E1465 IonicContact NH2-OE1 3.89Å; R1461-E1465 PolarHBondContact NH2-OE1 3.45Å; R1461-E1465 IonicContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact NH2-OE2 3.39Å; R1461-E1465 PolarHBondContact O-N 3.21Å; R1461-E1465 VanDerWaalsContact O-N 3.1Å; S1462-E1465 CarbonylContact O-C 3.33Å; S1462-E1465 PolarHBondContact O-N 3.43Å; E1465-G1467 PolarHBondContact O-N 3.44Å
1466D49.7Very low52.1Low104 Ų104106.4 Ų106.456%0.55665%0.651SS**SBendtrans-75.71.5175-64.9-50.2000112.8S1462 D1468S1462-D1466 VanDerWaalsContact C-OD2 3.27Å; S1462-D1466 WeakPolarHBondContact O-CB 3.41Å; S1462-D1466 PolarHBondContact O-N 3.2Å; S1462-D1466 PolarHBondContact OG-OD2 3.24Å; D1466-D1468 PolarHBondContact O-N 3.49Å
1467G43.8Very low49.9Very low67 Ų67106.6 Ų106.669%0.69166%0.661SS**  trans-72.425.2179.200000115.4E1465E1465-G1467 PolarHBondContact O-N 3.44Å
1468D37.2Very low48.2Very low149 Ų149106.5 Ų106.580%0.79768%0.675SS**  trans-119.654.9-172.7-157.41.4000111.7D1466D1466-D1468 PolarHBondContact O-N 3.49Å
1469V39.4Very low46.7Very low137 Ų137111.7 Ų111.783%0.8369%0.691SS**  trans-114.496.5175-176.10000110.2
1470A38Very low45.1Very low98 Ų98117.2 Ų117.281%0.8172%0.715SS**  trans-47.1145.1177.200000114.6
1471G33.2Very low43.9Very low73 Ų73115.8 Ų115.875%0.75371%0.709SS**  trans-173.2-15.3175.200000123.9
1472S32.3Very low43.1Very low124 Ų124115.1 Ų115.187%0.86772%0.72SS**  trans-174.4130.6168.1-87.30000113.9
1473P31Very low42.8Very low131 Ų131119 Ų11985%0.85174%0.735SS**  trans-107117.8177.335.5-27.8000114.1
1474A31.3Very low42.8Very low94 Ų94119.9 Ų119.978%0.77774%0.737SS**  trans-169.9143.6151.200000113.1
1475V31.9Very low42.8Very low142 Ų142120.6 Ų120.686%0.86174%0.736SS**  trans73.9141167.2-170.30000116.4
1476P35.9Very low43.4Very low115 Ų115120.9 Ų120.975%0.74774%0.736SS**  trans-124-156.1-160.341.1-20.7000113.2
1477P37.1Very low44.2Very low113 Ų113118.8 Ų118.873%0.73473%0.727SS**  -108.1152.4-9136.7-24000113.3
1478A40Very low45.4Very low99 Ų99122 Ų12282%0.81872%0.724SS**  trans-132.195.9166.400000109.2Q1480A1478-Q1480 PolarHBondContact O-N 2.88Å; A1478-Q1480 VanDerWaalsContact O-N 3.07Å
1479E40.3Very low47Very low183 Ų183118.5 Ų118.586%0.85571%0.705SS**  trans-72.698.5-174-64.3174.2145.200111.8
1480Q41.2Very low48.6Very low189 Ų189116.7 Ų116.788%0.88369%0.687SS**  trans-113.695.7155.8-67.6-161.216.600108.9A1478 P1482A1478-Q1480 PolarHBondContact O-N 2.88Å; A1478-Q1480 VanDerWaalsContact O-N 3.07Å; Q1480-P1482 WeakPolarHBondContact O-CD 3.25Å
1481D44.2Very low50.3Low91 Ų91120.4 Ų120.449%0.48768%0.68SS.*  trans-47.6115.1-173.9-87.3-56.2000114.4M1483 K1484D1481-M1483 HydrophobicContact CB-CB 4.27Å; D1481-M1483 PolarHBondContact O-N 2.81Å; D1481-K1484 HydrophobicContact CB-CB 4.44Å; D1481-K1484 HydrophobicContact CB-CG 4.43Å; D1481-K1484 PolarHBondContact O-N 3.33Å
1482P53.4Low52Low104 Ų104120.6 Ų120.668%0.67567%0.667SS**Hα-helixtrans-62.3-21.7166.425.8-33.2000111.7Q1480 K1484 L1485 K1486Q1480-P1482 WeakPolarHBondContact O-CD 3.25Å; P1482-K1484 VanDerWaalsContact C-N 3.29Å; P1482-K1484 PolarHBondContact O-N 2.88Å; P1482-L1485 WeakPolarHBondContact O-CB 3.35Å; P1482-L1485 PolarHBondContact O-N 2.95Å; P1482-L1485 VanDerWaalsContact O-N 3.15Å; P1482-K1486 PolarHBondContact O-N 3.2Å
1483M58.9Low53.9Low126 Ų126120.1 Ų120.162%0.62165%0.651SS**Hα-helixtrans-56.3-38.4170.5-72.8-71.4-78.700112.8D1481 K1486 T1487D1481-M1483 HydrophobicContact CB-CB 4.27Å; D1481-M1483 PolarHBondContact O-N 2.81Å; M1483-K1486 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-OG1 3.22Å
1484K62Low56Low157 Ų157116.9 Ų116.968%0.68364%0.635SS**Hα-helixtrans-64.6-42.6175.4-89.1174.5178.6155.80111.6D1481 P1482 K1486 Q1488D1481-K1484 HydrophobicContact CB-CB 4.44Å; D1481-K1484 HydrophobicContact CB-CG 4.43Å; D1481-K1484 PolarHBondContact O-N 3.33Å; P1482-K1484 VanDerWaalsContact C-N 3.29Å; P1482-K1484 PolarHBondContact O-N 2.88Å; K1484-K1486 VanDerWaalsContact C-N 3.35Å; K1484-Q1488 VanDerWaalsContact O-CB 3.29Å; K1484-Q1488 WeakPolarHBondContact O-CB 2.8Å; K1484-Q1488 PolarHBondContact O-N 3.48Å
1485L63Low58.1Low119 Ų119116.8 Ų116.862%0.62363%0.625SS**Hα-helixtrans-60.4-46.6176.9-12986.1000110.6P1482 Q1488 L1489P1482-L1485 WeakPolarHBondContact O-CB 3.35Å; P1482-L1485 PolarHBondContact O-N 2.95Å; P1482-L1485 VanDerWaalsContact O-N 3.15Å; L1485-Q1488 WeakPolarHBondContact O-CB 3.27Å; L1485-Q1488 PolarHBondContact O-N 3.26Å; L1485-L1489 PolarHBondContact O-N 3.49Å
1486K67.4Low60Low123 Ų123113.1 Ų113.154%0.53560%0.6SS.*Hα-helixtrans-62.2-49.8179.5-172.8170.6-179.1171.40112.8P1482 M1483 K1484 Q1488 L1489 E1490P1482-K1486 PolarHBondContact O-N 3.2Å; M1483-K1486 PolarHBondContact O-N 2.95Å; K1484-K1486 VanDerWaalsContact C-N 3.35Å; K1486-Q1488 PolarHBondContact O-N 2.7Å; K1486-L1489 WeakPolarHBondContact O-CB 2.78Å; K1486-L1489 PolarHBondContact O-N 3.38Å; K1486-L1489 VanDerWaalsContact O-N 3.11Å; K1486-E1490 WeakPolarHBondContact O-CG 3.27Å; K1486-E1490 PolarHBondContact O-N 3.29Å
1487T67Low61.9Low60 Ų60114.1 Ų114.137%0.36860%0.595SS.*Hα-helixtrans-66.9-23.8177.6-57.40000113M1483 R1491M1483-T1487 PolarHBondContact O-N 2.95Å; M1483-T1487 PolarHBondContact O-OG1 3.22Å; T1487-R1491 PolarHBondContact O-N 3.37Å
1488Q68.7Low63.7Low136 Ų136111.9 Ų111.964%0.63659%0.586SS**Hα-helixtrans-73.3-42.1170.6-171.7170.21.200111.2K1484 L1485 K1486 R1491 T1492K1484-Q1488 VanDerWaalsContact O-CB 3.29Å; K1484-Q1488 WeakPolarHBondContact O-CB 2.8Å; K1484-Q1488 PolarHBondContact O-N 3.48Å; L1485-Q1488 WeakPolarHBondContact O-CB 3.27Å; L1485-Q1488 PolarHBondContact O-N 3.26Å; K1486-Q1488 PolarHBondContact O-N 2.7Å; Q1488-R1491 WeakPolarHBondContact O-CB 3.39Å; Q1488-R1491 PolarHBondContact O-N 3.37Å; Q1488-T1492 PolarHBondContact O-N 3.44Å; Q1488-T1492 VanDerWaalsContact O-N 3.12Å; Q1488-T1492 PolarHBondContact O-OG1 3.42Å
1489L69.9Low65.2Low74 Ų74109.7 Ų109.739%0.38756%0.559SS.*Hα-helixtrans-60.6-49.9177-152.180.4000111.9L1485 K1486 R1491 T1492 E1493L1485-L1489 PolarHBondContact O-N 3.49Å; K1486-L1489 WeakPolarHBondContact O-CB 2.78Å; K1486-L1489 PolarHBondContact O-N 3.38Å; K1486-L1489 VanDerWaalsContact O-N 3.11Å; L1489-R1491 VanDerWaalsContact C-N 3.27Å; L1489-R1491 PolarHBondContact O-N 2.83Å; L1489-T1492 WeakPolarHBondContact CA-OG1 3.22Å; L1489-T1492 PolarHBondContact O-N 2.87Å; L1489-T1492 PolarHBondContact O-OG1 2.94Å; L1489-E1493 PolarHBondContact O-N 3.32Å
1490E74.8Confident66.8Low100 Ų100104.7 Ų104.747%0.46754%0.535SS..Hα-helixtrans-58.2-37.4176.8-70.6168.917200112K1486 E1493 A1494K1486-E1490 WeakPolarHBondContact O-CG 3.27Å; K1486-E1490 PolarHBondContact O-N 3.29Å; E1490-E1493 PolarHBondContact O-N 3.26Å; E1490-A1494 WeakPolarHBondContact O-CB 3.44Å; E1490-A1494 PolarHBondContact O-N 2.84Å
1491R71.7Confident68.5Low176 Ų176100 Ų10066%0.66452%0.52SS*.Hα-helixtrans-66.3-37.7174.4-99.8-174.8174.977.2-0.3112.9T1487 Q1488 L1489 T1495T1487-R1491 PolarHBondContact O-N 3.37Å; Q1488-R1491 WeakPolarHBondContact O-CB 3.39Å; Q1488-R1491 PolarHBondContact O-N 3.37Å; L1489-R1491 VanDerWaalsContact C-N 3.27Å; L1489-R1491 PolarHBondContact O-N 2.83Å; R1491-T1495 PolarHBondContact O-N 3.15Å; R1491-T1495 PolarHBondContact O-OG1 2.86Å
1492T69.4Low70Confident76 Ų76102.9 Ų102.947%0.46652%0.524SS..Hα-helixtrans-69.4-37.2174.6350000112.4Q1488 L1489 T1495 L1496Q1488-T1492 PolarHBondContact O-N 3.44Å; Q1488-T1492 VanDerWaalsContact O-N 3.12Å; Q1488-T1492 PolarHBondContact O-OG1 3.42Å; L1489-T1492 WeakPolarHBondContact CA-OG1 3.22Å; L1489-T1492 PolarHBondContact O-N 2.87Å; L1489-T1492 PolarHBondContact O-OG1 2.94Å; T1492-T1495 WeakPolarHBondContact CA-OG1 2.96Å; T1492-T1495 PolarHBondContact O-N 2.99Å; T1492-T1495 PolarHBondContact O-OG1 3.12Å; T1492-L1496 PolarHBondContact O-N 2.99Å
1493E72.1Confident70.8Confident115 Ų115102.8 Ų102.854%0.53751%0.51SS..Hα-helixtrans-65.2-45.9174.1-71.7-172.9120.500112.2L1489 E1490 T1495 L1496 E1497L1489-E1493 PolarHBondContact O-N 3.32Å; E1490-E1493 PolarHBondContact O-N 3.26Å; E1493-T1495 VanDerWaalsContact C-N 3.26Å; E1493-T1495 PolarHBondContact O-N 3.49Å; E1493-L1496 WeakPolarHBondContact O-CA 3.16Å; E1493-L1496 WeakPolarHBondContact O-CB 2.96Å; E1493-L1496 PolarHBondContact O-N 3.46Å; E1493-E1497 PolarHBondContact O-N 3.18Å
1494A75.9Confident71.8Confident62 Ų62102.8 Ų102.851%0.51251%0.509SS..Hα-helixtrans-61.5-33178.700000113.1E1490 A1498E1490-A1494 WeakPolarHBondContact O-CB 3.44Å; E1490-A1494 PolarHBondContact O-N 2.84Å; A1494-A1498 PolarHBondContact O-N 3.29Å
1495T74.8Confident72.8Confident93 Ų93102 Ų10257%0.57151%0.505SS*.Hα-helixtrans-72-36.2171.5380000112.1R1491 T1492 E1493 A1498 E1499R1491-T1495 PolarHBondContact O-N 3.15Å; R1491-T1495 PolarHBondContact O-OG1 2.86Å; T1492-T1495 WeakPolarHBondContact CA-OG1 2.96Å; T1492-T1495 PolarHBondContact O-N 2.99Å; T1492-T1495 PolarHBondContact O-OG1 3.12Å; E1493-T1495 VanDerWaalsContact C-N 3.26Å; E1493-T1495 PolarHBondContact O-N 3.49Å; T1495-A1498 PolarHBondContact O-N 3.18Å; T1495-E1499 WeakPolarHBondContact O-CB 3.03Å; T1495-E1499 PolarHBondContact O-N 2.9Å
1496L71.3Confident73.4Confident65 Ų6599 Ų9934%0.3449%0.489SS..Hα-helixtrans-65.3-39.2176.4-146.181.2000112.8T1492 E1493 E1499 Q1500T1492-L1496 PolarHBondContact O-N 2.99Å; E1493-L1496 WeakPolarHBondContact O-CA 3.16Å; E1493-L1496 WeakPolarHBondContact O-CB 2.96Å; E1493-L1496 PolarHBondContact O-N 3.46Å; L1496-E1499 PolarHBondContact O-N 3.41Å; L1496-Q1500 WeakPolarHBondContact O-CB 2.91Å; L1496-Q1500 PolarHBondContact O-N 3.39Å
1497E75.9Confident73.8Confident136 Ų13696.9 Ų96.964%0.63649%0.487SS*.Hα-helixtrans-67.6-42.9175.2-75.6-154.2122.300112.8E1493 E1499 Q1500 T1501E1493-E1497 PolarHBondContact O-N 3.18Å; E1497-E1499 VanDerWaalsContact C-N 3.26Å; E1497-E1499 PolarHBondContact O-N 2.69Å; E1497-Q1500 PolarHBondContact O-N 3.38Å; E1497-T1501 WeakPolarHBondContact O-CB 3.2Å; E1497-T1501 PolarHBondContact O-N 3.3Å; E1497-T1501 PolarHBondContact O-OG1 3.47Å
1498A75.5Confident74.3Confident65 Ų6596.6 Ų96.654%0.53749%0.491SS..Hα-helixtrans-61.4-38.617600000111.3A1494 T1495 R1502A1494-A1498 PolarHBondContact O-N 3.29Å; T1495-A1498 PolarHBondContact O-N 3.18Å; A1498-R1502 PolarHBondContact O-N 2.85Å; A1498-R1502 VanDerWaalsContact O-N 3.15Å
1499E70.8Confident74.8Confident53 Ų5394.1 Ų94.125%0.24848%0.479CS..Hα-helixtrans-69.3-43.8174.5-159.7-148.1105.600112.1T1495 L1496 E1497 T1501 R1502 R1503T1495-E1499 WeakPolarHBondContact O-CB 3.03Å; T1495-E1499 PolarHBondContact O-N 2.9Å; L1496-E1499 PolarHBondContact O-N 3.41Å; E1497-E1499 VanDerWaalsContact C-N 3.26Å; E1497-E1499 PolarHBondContact O-N 2.69Å; E1499-T1501 VanDerWaalsContact C-N 3.33Å; E1499-T1501 PolarHBondContact O-N 2.89Å; E1499-R1502 WeakPolarHBondContact O-CA 3.33Å; E1499-R1502 VanDerWaalsContact O-CB 3.3Å; E1499-R1502 WeakPolarHBondContact O-CB 3.35Å; E1499-R1502 PolarHBondContact O-N 2.9Å; E1499-R1502 VanDerWaalsContact O-N 3.07Å; E1499-R1503 PolarHBondContact O-N 2.92Å; E1499-R1503 IonicContact OE1-CZ 2.91Å; E1499-R1503 IonicContact OE1-NE 3.44Å; E1499-R1503 PolarHBondContact OE1-NE 2.92Å; E1499-R1503 IonicContact OE1-NH2 2.65Å; E1499-R1503 PolarHBondContact OE1-NH2 3.01Å
1500Q75.1Confident75.1Confident78 Ų7894.2 Ų94.236%0.36448%0.476SS..Hα-helixtrans-60.1-42175.8-173.3170.4-78.300111.8L1496 E1497 R1502 R1503 Q1504L1496-Q1500 WeakPolarHBondContact O-CB 2.91Å; L1496-Q1500 PolarHBondContact O-N 3.39Å; E1497-Q1500 PolarHBondContact O-N 3.38Å; Q1500-R1502 VanDerWaalsContact C-N 3.3Å; Q1500-R1502 PolarHBondContact O-N 3.14Å; Q1500-R1503 PolarHBondContact O-N 3.44Å; Q1500-Q1504 WeakPolarHBondContact O-CG 2.89Å; Q1500-Q1504 PolarHBondContact O-N 3.03Å
1501T77.2Confident75.4Confident91 Ų9193.8 Ų93.856%0.55847%0.474SS*.Hα-helixtrans-60.6-39.9174-55.60000111.2E1497 E1499 K1505E1497-T1501 WeakPolarHBondContact O-CB 3.2Å; E1497-T1501 PolarHBondContact O-N 3.3Å; E1497-T1501 PolarHBondContact O-OG1 3.47Å; E1499-T1501 VanDerWaalsContact C-N 3.33Å; E1499-T1501 PolarHBondContact O-N 2.89Å; T1501-K1505 PolarHBondContact O-N 3.4Å; T1501-K1505 VanDerWaalsContact O-N 3.16Å
1502R76.1Confident75.9Confident151 Ų15191.3 Ų91.357%0.5747%0.471SS*.Hα-helixtrans-65.2-43.7174.5-168.8-176.9-168.6147.711.3112.3A1498 E1499 Q1500 K1505 L1506A1498-R1502 PolarHBondContact O-N 2.85Å; A1498-R1502 VanDerWaalsContact O-N 3.15Å; E1499-R1502 WeakPolarHBondContact O-CA 3.33Å; E1499-R1502 VanDerWaalsContact O-CB 3.3Å; E1499-R1502 WeakPolarHBondContact O-CB 3.35Å; E1499-R1502 PolarHBondContact O-N 2.9Å; E1499-R1502 VanDerWaalsContact O-N 3.07Å; Q1500-R1502 VanDerWaalsContact C-N 3.3Å; Q1500-R1502 PolarHBondContact O-N 3.14Å; R1502-K1505 PolarHBondContact O-N 3.33Å; R1502-L1506 PolarHBondContact O-N 2.83Å
1503R69.4Low76Confident103 Ų10389 Ų8939%0.38946%0.459SS..Hα-helixtrans-62.6-41.8177-68.9-173.4-170.3-118.7-2.1112.1E1499 Q1500 L1506 T1507 E1579E1499-R1503 PolarHBondContact O-N 2.92Å; E1499-R1503 IonicContact OE1-CZ 2.91Å; E1499-R1503 IonicContact OE1-NE 3.44Å; E1499-R1503 PolarHBondContact OE1-NE 2.92Å; E1499-R1503 IonicContact OE1-NH2 2.65Å; E1499-R1503 PolarHBondContact OE1-NH2 3.01Å; Q1500-R1503 PolarHBondContact O-N 3.44Å; R1503-L1506 PolarHBondContact O-N 3.41Å; R1503-T1507 PolarHBondContact O-N 2.88Å; R1503-T1507 VanDerWaalsContact O-N 3.08Å; R1503-T1507 PolarHBondContact O-OG1 3.38Å; R1503-E1579 IonicContact CZ-OE2 2.72Å; R1503-E1579 IonicContact NH2-OE1 3.18Å; R1503-E1579 IonicContact NH2-OE2 2.89Å; R1503-E1579 PolarHBondContact NH2-OE2 2.65Å
1504Q79.3Confident76.1Confident126 Ų12688.7 Ų88.759%0.58946%0.458SS*.Hα-helixtrans-60.4-46.5174.7-74.4-177.7-2.700111.9Q1500 L1506 T1507 A1508Q1500-Q1504 WeakPolarHBondContact O-CG 2.89Å; Q1500-Q1504 PolarHBondContact O-N 3.03Å; Q1504-L1506 PolarHBondContact O-N 3.1Å; Q1504-T1507 WeakPolarHBondContact O-CB 3.28Å; Q1504-T1507 PolarHBondContact O-N 2.91Å; Q1504-T1507 VanDerWaalsContact O-N 3.16Å; Q1504-A1508 PolarHBondContact O-N 3.06Å; Q1504-A1508 VanDerWaalsContact O-N 3.07Å
1505K83.2Confident76.3Confident140 Ų14093 Ų9361%0.60946%0.461SS*.Hα-helixtrans-61.2-43178.6-169.7172.4-178.8176.10112.5T1501 R1502 T1507 A1508 E1509T1501-K1505 PolarHBondContact O-N 3.4Å; T1501-K1505 VanDerWaalsContact O-N 3.16Å; R1502-K1505 PolarHBondContact O-N 3.33Å; K1505-T1507 VanDerWaalsContact C-N 3.26Å; K1505-T1507 PolarHBondContact O-N 3.34Å; K1505-A1508 PolarHBondContact O-N 3.09Å; K1505-E1509 PolarHBondContact O-N 3.37Å; K1505-E1509 VanDerWaalsContact O-N 3.11Å
1506L75.8Confident76.5Confident55 Ų5591.9 Ų91.929%0.28845%0.454SS..Hα-helixtrans-63.3-33.1177.1-148.374.3000112.5R1502 R1503 Q1504 F1510 T1572R1502-L1506 PolarHBondContact O-N 2.83Å; R1503-L1506 PolarHBondContact O-N 3.41Å; Q1504-L1506 PolarHBondContact O-N 3.1Å; L1506-F1510 PolarHBondContact O-N 3.42Å; L1506-F1510 VanDerWaalsContact O-N 3.1Å; L1506-T1572 HydrophobicContact CD2-CG2 4.02Å; L1506-T1572 WeakPolarHBondContact CD2-OG1 3.37Å
1507T75.5Confident76.4Confident79 Ų7989.9 Ų89.949%0.48545%0.446SS..Hα-helixtrans-70.5-40.6177.1-55.50000111.2R1503 Q1504 K1505 F1510 E1511R1503-T1507 PolarHBondContact O-N 2.88Å; R1503-T1507 VanDerWaalsContact O-N 3.08Å; R1503-T1507 PolarHBondContact O-OG1 3.38Å; Q1504-T1507 WeakPolarHBondContact O-CB 3.28Å; Q1504-T1507 PolarHBondContact O-N 2.91Å; Q1504-T1507 VanDerWaalsContact O-N 3.16Å; K1505-T1507 VanDerWaalsContact C-N 3.26Å; K1505-T1507 PolarHBondContact O-N 3.34Å; T1507-F1510 PolarHBondContact O-N 2.86Å; T1507-E1511 PolarHBondContact O-N 3.3Å
1508A77.5Confident76.3Confident55 Ų5586.7 Ų86.746%0.45544%0.439SS..Hα-helixtrans-63.3-42.5174.600000112.4Q1504 K1505 F1510 E1511 E1512Q1504-A1508 PolarHBondContact O-N 3.06Å; Q1504-A1508 VanDerWaalsContact O-N 3.07Å; K1505-A1508 PolarHBondContact O-N 3.09Å; A1508-F1510 VanDerWaalsContact C-N 3.31Å; A1508-F1510 PolarHBondContact O-N 3.34Å; A1508-E1511 PolarHBondContact O-N 3.43Å; A1508-E1512 PolarHBondContact O-N 2.84Å
1509E80.4Confident76.5Confident84 Ų8492.6 Ų92.639%0.39345%0.447SS..Hα-helixtrans-62.4-37.2175-70.4173.1-163.500111.8K1505 A1513K1505-E1509 PolarHBondContact O-N 3.37Å; K1505-E1509 VanDerWaalsContact O-N 3.11Å; E1509-A1513 PolarHBondContact O-N 3.38Å
1510F76Confident76.6Confident75 Ų7591.4 Ų91.433%0.32944%0.442SS..Hα-helixtrans-67.1-43.7174.7-176.5-91000112.7L1506 T1507 A1508 E1512 A1513 Q1514 L1565 L1569L1506-F1510 PolarHBondContact O-N 3.42Å; L1506-F1510 VanDerWaalsContact O-N 3.1Å; T1507-F1510 PolarHBondContact O-N 2.86Å; A1508-F1510 VanDerWaalsContact C-N 3.31Å; A1508-F1510 PolarHBondContact O-N 3.34Å; F1510-E1512 PolarHBondContact O-N 2.84Å; F1510-A1513 PolarHBondContact O-N 2.99Å; F1510-Q1514 PolarHBondContact O-N 3.29Å; F1510-L1565 HydrophobicContact CD2-CD2 3.82Å; F1510-L1565 HydrophobicContact CE2-CD2 3.79Å; F1510-L1569 HydrophobicContact CE2-CD2 4.4Å
1511E79.7Confident76.4Confident91 Ų9193.2 Ų93.243%0.42545%0.45SS..Hα-helixtrans-61.7-41.1175.2-76.5-166.9-167.500112.5T1507 A1508 Q1514 R1515T1507-E1511 PolarHBondContact O-N 3.3Å; A1508-E1511 PolarHBondContact O-N 3.43Å; E1511-Q1514 PolarHBondContact O-N 3.27Å; E1511-R1515 VanDerWaalsContact O-CG 3.31Å; E1511-R1515 WeakPolarHBondContact O-CG 3.39Å; E1511-R1515 PolarHBondContact O-N 2.73Å; E1511-R1515 IonicContact OE2-CZ 3.61Å; E1511-R1515 IonicContact OE2-NE 2.67Å; E1511-R1515 IonicContact OE2-NH2 3.09Å; E1511-R1515 PolarHBondContact OE2-NH2 3.36Å
1512E82.7Confident76.4Confident125 Ų12594.1 Ų94.158%0.58445%0.448SS*.Hα-helixtrans-63-43.2178.2-172.3179.2167.200111.4A1508 F1510 Q1514 R1515 T1516A1508-E1512 PolarHBondContact O-N 2.84Å; F1510-E1512 PolarHBondContact O-N 2.84Å; E1512-Q1514 VanDerWaalsContact C-N 3.34Å; E1512-Q1514 PolarHBondContact O-N 2.96Å; E1512-R1515 PolarHBondContact O-N 2.99Å; E1512-T1516 WeakPolarHBondContact O-CB 3.27Å; E1512-T1516 PolarHBondContact O-N 2.96Å; E1512-T1516 PolarHBondContact O-OG1 2.9Å
1513A72.1Confident76.3Confident27 Ų2791.6 Ų91.622%0.22344%0.443CS..Hα-helixtrans-62.1-40.1173.800000112.1E1509 F1510 T1516 A1517 L1565E1509-A1513 PolarHBondContact O-N 3.38Å; F1510-A1513 PolarHBondContact O-N 2.99Å; A1513-T1516 PolarHBondContact O-N 3.08Å; A1513-A1517 PolarHBondContact O-N 3.24Å; A1513-L1565 HydrophobicContact CB-CD1 4.36Å; A1513-L1565 HydrophobicContact CB-CD2 3.7Å; A1513-L1565 HydrophobicContact CB-CG 3.99Å
1514Q74.3Confident76.1Confident109 Ų10987.6 Ų87.651%0.50943%0.429SS..Hα-helixtrans-66.1-46.6176.4-168.8177.724.300112.3F1510 E1511 E1512 T1516 A1517 C1518F1510-Q1514 PolarHBondContact O-N 3.29Å; E1511-Q1514 PolarHBondContact O-N 3.27Å; E1512-Q1514 VanDerWaalsContact C-N 3.34Å; E1512-Q1514 PolarHBondContact O-N 2.96Å; Q1514-T1516 VanDerWaalsContact C-N 3.26Å; Q1514-T1516 PolarHBondContact O-N 3.32Å; Q1514-A1517 PolarHBondContact O-N 3.33Å; Q1514-C1518 PolarHBondContact O-N 3.5Å; Q1514-C1518 PolarHBondContact O-SG 3.24Å
1515R80Confident75.7Confident153 Ų15387 Ų8758%0.57743%0.426SS*.Hα-helixtrans-58.2-39.7175-70.2178.4-132.2148.8-1.5111.4E1511 E1512 C1518 R1519E1511-R1515 VanDerWaalsContact O-CG 3.31Å; E1511-R1515 WeakPolarHBondContact O-CG 3.39Å; E1511-R1515 PolarHBondContact O-N 2.73Å; E1511-R1515 IonicContact OE2-CZ 3.61Å; E1511-R1515 IonicContact OE2-NE 2.67Å; E1511-R1515 IonicContact OE2-NH2 3.09Å; E1511-R1515 PolarHBondContact OE2-NH2 3.36Å; E1512-R1515 PolarHBondContact O-N 2.99Å; R1515-C1518 PolarHBondContact O-N 3.49Å; R1515-R1519 PolarHBondContact O-N 3.29Å; R1515-R1519 VanDerWaalsContact O-N 3.11Å
1516T79.3Confident75.3Confident69 Ų6986.2 Ų86.242%0.42342%0.423SS..Hα-helixtrans-64.7-43.5176.9-57.10000111.9E1512 A1513 Q1514 R1519 I1520E1512-T1516 WeakPolarHBondContact O-CB 3.27Å; E1512-T1516 PolarHBondContact O-N 2.96Å; E1512-T1516 PolarHBondContact O-OG1 2.9Å; A1513-T1516 PolarHBondContact O-N 3.08Å; Q1514-T1516 VanDerWaalsContact C-N 3.26Å; Q1514-T1516 PolarHBondContact O-N 3.32Å; T1516-R1519 PolarHBondContact O-N 2.85Å; T1516-I1520 HydrophobicContact CG2-CD1 4.29Å; T1516-I1520 WeakPolarHBondContact O-CG1 3.48Å; T1516-I1520 PolarHBondContact O-N 2.84Å
1517A69.3Low74.6Confident22 Ų2286.1 Ų86.118%0.18242%0.423CS..Hα-helixtrans-62-45.1176.400000112.4A1513 Q1514 R1519 I1520 Q1521A1513-A1517 PolarHBondContact O-N 3.24Å; Q1514-A1517 PolarHBondContact O-N 3.33Å; A1517-R1519 VanDerWaalsContact C-N 3.32Å; A1517-R1519 PolarHBondContact O-N 3.18Å; A1517-I1520 PolarHBondContact O-N 2.92Å; A1517-Q1521 PolarHBondContact O-N 3.41Å
1518C74Confident74Confident70 Ų7090.5 Ų90.547%0.47343%0.43SS..Hα-helixtrans-58.3-43175.2-67.80000112.2Q1514 R1515 I1520 Q1521 E1522Q1514-C1518 PolarHBondContact O-N 3.5Å; Q1514-C1518 PolarHBondContact O-SG 3.24Å; R1515-C1518 PolarHBondContact O-N 3.49Å; C1518-I1520 PolarHBondContact O-N 2.96Å; C1518-Q1521 PolarHBondContact O-N 2.71Å; C1518-Q1521 VanDerWaalsContact O-N 3.16Å; C1518-E1522 PolarHBondContact O-N 3.32Å
1519R79.3Confident73.4Confident188 Ų18891.9 Ų91.971%0.70944%0.441SS*.Hα-helixtrans-63.5-40.4-179.4-162.5177.4-169.4172.14.1112.8R1515 T1516 A1517 Q1521 E1522 E1523R1515-R1519 PolarHBondContact O-N 3.29Å; R1515-R1519 VanDerWaalsContact O-N 3.11Å; T1516-R1519 PolarHBondContact O-N 2.85Å; A1517-R1519 VanDerWaalsContact C-N 3.32Å; A1517-R1519 PolarHBondContact O-N 3.18Å; R1519-Q1521 VanDerWaalsContact C-N 3.33Å; R1519-E1522 PolarHBondContact O-N 3.13Å; R1519-E1523 WeakPolarHBondContact O-CG 2.76Å; R1519-E1523 PolarHBondContact O-N 3Å
1520I73.2Confident71.9Confident28 Ų2889.9 Ų89.914%0.14444%0.439CS..Hα-helixtrans-66.9-37.4174.6-62.6165.1000110.7T1516 A1517 C1518 E1523 L1524 L1554 L1558T1516-I1520 HydrophobicContact CG2-CD1 4.29Å; T1516-I1520 WeakPolarHBondContact O-CG1 3.48Å; T1516-I1520 PolarHBondContact O-N 2.84Å; A1517-I1520 PolarHBondContact O-N 2.92Å; C1518-I1520 PolarHBondContact O-N 2.96Å; I1520-E1523 PolarHBondContact O-N 3.11Å; I1520-L1524 HydrophobicContact CG2-CD1 4.35Å; I1520-L1524 WeakPolarHBondContact O-CG 3.34Å; I1520-L1524 PolarHBondContact O-N 2.91Å; I1520-L1524 VanDerWaalsContact O-N 3.1Å; I1520-L1554 HydrophobicContact CG2-CD2 4.44Å; I1520-L1558 HydrophobicContact CB-CD1 4.33Å; I1520-L1558 HydrophobicContact CG2-CB 3.98Å; I1520-L1558 HydrophobicContact CG2-CD1 4.2Å; I1520-L1558 HydrophobicContact CG2-CG 4.49Å
1521Q69.7Low70.8Confident117 Ų11788.2 Ų88.255%0.54744%0.443SS..Hα-helixtrans-67-37178-169.6163.6-1700112.4A1517 C1518 R1519 L1524 E1525A1517-Q1521 PolarHBondContact O-N 3.41Å; C1518-Q1521 PolarHBondContact O-N 2.71Å; C1518-Q1521 VanDerWaalsContact O-N 3.16Å; R1519-Q1521 VanDerWaalsContact C-N 3.33Å; Q1521-L1524 PolarHBondContact O-N 3.17Å; Q1521-E1525 PolarHBondContact O-N 2.95Å
1522E77Confident69.4Low109 Ų10990.1 Ų90.151%0.50946%0.464SS..Hα-helixtrans-62.6-38.9170.3-74.5-172.1-169.300113.3C1518 R1519 E1525 K1526C1518-E1522 PolarHBondContact O-N 3.32Å; R1519-E1522 PolarHBondContact O-N 3.13Å; E1522-E1525 PolarHBondContact O-N 3.4Å; E1522-K1526 WeakPolarHBondContact O-CG 2.76Å; E1522-K1526 PolarHBondContact O-N 3.22Å; E1522-K1526 IonicContact OE2-NZ 2.68Å; E1522-K1526 PolarHBondContact OE2-NZ 2.74Å
1523E74Confident67.5Low98 Ų9891.2 Ų91.246%0.45847%0.473SS..Hα-helixtrans-66.3-39.7178-63.5-119.8130.300111.5R1519 I1520 E1525 K1526 L1527 L1554R1519-E1523 WeakPolarHBondContact O-CG 2.76Å; R1519-E1523 PolarHBondContact O-N 3Å; I1520-E1523 PolarHBondContact O-N 3.11Å; E1523-E1525 VanDerWaalsContact C-N 3.33Å; E1523-E1525 PolarHBondContact O-N 2.67Å; E1523-K1526 PolarHBondContact O-N 3.08Å; E1523-L1527 PolarHBondContact O-N 2.93Å; E1523-L1554 HydrophobicContact CB-CD1 4.29Å
1524L65.8Low65.9Low19 Ų1998.7 Ų98.710%0.09950%0.503CS..Hα-helixtrans-64-35.6173.1-71.1170000112.3I1520 Q1521 R1528 E1551 L1554 L1558I1520-L1524 HydrophobicContact CG2-CD1 4.35Å; I1520-L1524 WeakPolarHBondContact O-CG 3.34Å; I1520-L1524 PolarHBondContact O-N 2.91Å; I1520-L1524 VanDerWaalsContact O-N 3.1Å; Q1521-L1524 PolarHBondContact O-N 3.17Å; L1524-R1528 WeakPolarHBondContact O-CB 3.28Å; L1524-R1528 PolarHBondContact O-N 3.46Å; L1524-R1528 VanDerWaalsContact O-N 3.13Å; L1524-E1551 HydrophobicContact CD2-CG 4.18Å; L1524-L1554 HydrophobicContact CD2-CB 3.81Å; L1524-L1554 HydrophobicContact CD2-CD1 4.23Å; L1524-L1554 HydrophobicContact CG-CB 4.31Å; L1524-L1558 HydrophobicContact CD1-CD2 4Å
1525E71.4Confident64.3Low114 Ų11496.3 Ų96.353%0.53350%0.498SS..Hα-helixtrans-73.2-36.7172.8-66.9-145.3128.500113Q1521 E1522 E1523 R1528 A1529Q1521-E1525 PolarHBondContact O-N 2.95Å; E1522-E1525 PolarHBondContact O-N 3.4Å; E1523-E1525 VanDerWaalsContact C-N 3.33Å; E1523-E1525 PolarHBondContact O-N 2.67Å; E1525-R1528 PolarHBondContact O-N 2.77Å; E1525-R1528 IonicContact OE1-NH1 2.7Å; E1525-R1528 PolarHBondContact OE1-NH1 3.2Å; E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.26Å; E1525-A1529 PolarHBondContact O-N 3.34Å
1526K73.4Confident62.5Low123 Ų12392.2 Ų92.254%0.53549%0.493SS..Hα-helixtrans-61.2-43.7172.7-75.7164.8-175.6151.50111.7E1522 E1523 R1528 A1529 A1530E1522-K1526 WeakPolarHBondContact O-CG 2.76Å; E1522-K1526 PolarHBondContact O-N 3.22Å; E1522-K1526 IonicContact OE2-NZ 2.68Å; E1522-K1526 PolarHBondContact OE2-NZ 2.74Å; E1523-K1526 PolarHBondContact O-N 3.08Å; K1526-R1528 VanDerWaalsContact C-N 3.34Å; K1526-R1528 PolarHBondContact O-N 3.29Å; K1526-A1529 PolarHBondContact O-N 2.92Å; K1526-A1530 WeakPolarHBondContact O-CB 3.39Å; K1526-A1530 PolarHBondContact O-N 2.95Å
1527L62.9Low61.2Low54 Ų5490.9 Ų90.928%0.28349%0.493SS..Hα-helixtrans-62.8-38.7174.4-78169.2000112.4E1523 L1554E1523-L1527 PolarHBondContact O-N 2.93Å; L1527-L1554 HydrophobicContact CD1-CD1 3.58Å
1528R62.6Low60.2Low170 Ų17094.3 Ų94.364%0.64250%0.504SS*.Hα-helixtrans-70.2-33.3175.4-168.3-175.1-61140.15.5113.1L1524 E1525 K1526L1524-R1528 WeakPolarHBondContact O-CB 3.28Å; L1524-R1528 PolarHBondContact O-N 3.46Å; L1524-R1528 VanDerWaalsContact O-N 3.13Å; E1525-R1528 PolarHBondContact O-N 2.77Å; E1525-R1528 IonicContact OE1-NH1 2.7Å; E1525-R1528 PolarHBondContact OE1-NH1 3.2Å; K1526-R1528 VanDerWaalsContact C-N 3.34Å; K1526-R1528 PolarHBondContact O-N 3.29Å
1529A63.5Low59.2Low84 Ų8496.5 Ų96.569%0.69451%0.507SS*.Hα-helixtrans-79.9-22.4179.500000113.4E1525 K1526 G1531E1525-A1529 VanDerWaalsContact O-CB 3.27Å; E1525-A1529 WeakPolarHBondContact O-CB 3.26Å; E1525-A1529 PolarHBondContact O-N 3.34Å; K1526-A1529 PolarHBondContact O-N 2.92Å; A1529-G1531 VanDerWaalsContact C-N 3.25Å; A1529-G1531 PolarHBondContact O-N 2.94Å
1530A50.1Low58.2Low42 Ų4290.8 Ų90.835%0.34749%0.489SS..  trans-71.676.2174.800000111.2K1526 R1547K1526-A1530 WeakPolarHBondContact O-CB 3.39Å; K1526-A1530 PolarHBondContact O-N 2.95Å; A1530-R1547 PolarHBondContact O-NH1 2.82Å
1531G52.5Low57.8Low40 Ų4094.7 Ų94.741%0.41251%0.509SS..PPolyproline II helixtrans-58.6173.9178.400000114.5A1529 L1533A1529-G1531 VanDerWaalsContact C-N 3.25Å; A1529-G1531 PolarHBondContact O-N 2.94Å; G1531-L1533 PolarHBondContact O-N 2.86Å
1532P50.6Low57.9Low132 Ų13293.5 Ų93.586%0.85751%0.51SS*.PPolyproline II helixtrans-60.3126.3-179.7-21.233.4000111.3
1533L41.5Very low57.6Low148 Ų14892.7 Ų92.778%0.77551%0.506SS*.PPolyproline II helixtrans-100.2116.6167.6-97.4156.5000106.8G1531 S1535G1531-L1533 PolarHBondContact O-N 2.86Å; L1533-S1535 PolarHBondContact O-N 3.28Å
1534E40.3Very low57.4Low184 Ų18493.3 Ų93.386%0.8651%0.512SS*.  trans-73.9104.3-171.8-60-179.9157.300111.6
1535S39.6Very low57.9Low58 Ų5899.8 Ų99.841%0.40654%0.539SS..SBendtrans-165.999.8165.259.50000113.4L1533 E1540L1533-S1535 PolarHBondContact O-N 3.28Å; S1535-E1540 VanDerWaalsContact C-OE1 3.29Å; S1535-E1540 PolarHBondContact N-OE1 2.84Å
1536S42.8Very low58.2Low68 Ų6899.1 Ų99.148%0.47654%0.536SS..  trans63.5106.5166.876.70000116.2K1538 E1539 E1540S1536-K1538 PolarHBondContact O-N 2.92Å; S1536-E1539 PolarHBondContact O-N 2.78Å; S1536-E1540 PolarHBondContact O-N 3.13Å
1537G51.6Low58.4Low41 Ų4197.1 Ų97.142%0.42353%0.525SS..THydrogen-bonded Turntrans-65.925-172.400000118.2I1541G1537-I1541 VanDerWaalsContact O-CD1 3.26Å; G1537-I1541 WeakPolarHBondContact O-CD1 2.99Å; G1537-I1541 WeakPolarHBondContact O-CG1 3.07Å
1538K49.2Very low59.1Low94 Ų9498.8 Ų98.841%0.40953%0.534SS..THydrogen-bonded Turntrans-110.7-47.7165.1-99.6-163171174.60112.3M127 S1536 E1540 I1541 T1542M127-K1538 VanDerWaalsContact O-CD 3.23Å; M127-K1538 WeakPolarHBondContact O-CD 3.42Å; M127-K1538 WeakPolarHBondContact O-CE 3.06Å; M127-K1538 PolarHBondContact O-NZ 2.81Å; S1536-K1538 PolarHBondContact O-N 2.92Å; K1538-E1540 VanDerWaalsContact C-N 3.26Å; K1538-E1540 PolarHBondContact O-N 2.61Å; K1538-I1541 PolarHBondContact O-N 3.31Å; K1538-I1541 VanDerWaalsContact O-N 3.13Å; K1538-T1542 PolarHBondContact O-N 2.87Å; K1538-T1542 PolarHBondContact O-OG1 2.91Å
1539E51.9Low60Low115 Ų11595.8 Ų95.854%0.53753%0.527SS..Hα-helixtrans-66-34.4173-63-167.4150.300110.8S1536 I1541 T1542 Q1543S1536-E1539 PolarHBondContact O-N 2.78Å; E1539-I1541 VanDerWaalsContact C-N 3.27Å; E1539-I1541 PolarHBondContact O-N 3.42Å; E1539-T1542 WeakPolarHBondContact CA-OG1 3.17Å; E1539-T1542 PolarHBondContact O-N 3.44Å; E1539-T1542 PolarHBondContact O-OG1 2.79Å; E1539-Q1543 VanDerWaalsContact O-CB 3.27Å; E1539-Q1543 WeakPolarHBondContact O-CB 3Å; E1539-Q1543 VanDerWaalsContact O-CG 3.23Å; E1539-Q1543 WeakPolarHBondContact O-CG 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.25Å
1540E57.7Low60.9Low68 Ų6897 Ų9732%0.31852%0.516SS..Hα-helixtrans-57.7-37.6170.7-67.1173.2-177.100112.4S1535 S1536 K1538 L1544S1535-E1540 VanDerWaalsContact C-OE1 3.29Å; S1535-E1540 PolarHBondContact N-OE1 2.84Å; S1536-E1540 PolarHBondContact O-N 3.13Å; K1538-E1540 VanDerWaalsContact C-N 3.26Å; K1538-E1540 PolarHBondContact O-N 2.61Å; E1540-L1544 WeakPolarHBondContact O-CB 3.15Å; E1540-L1544 WeakPolarHBondContact O-CD1 3.14Å; E1540-L1544 WeakPolarHBondContact O-CG 3.11Å; E1540-L1544 PolarHBondContact O-N 2.85Å
1541I65.3Low62.3Low111 Ų11199 Ų9957%0.56952%0.519SS*.Hα-helixtrans-71.4-43.3179.6-65.3177.3000111G1537 K1538 E1539 K1545G1537-I1541 VanDerWaalsContact O-CD1 3.26Å; G1537-I1541 WeakPolarHBondContact O-CD1 2.99Å; G1537-I1541 WeakPolarHBondContact O-CG1 3.07Å; K1538-I1541 PolarHBondContact O-N 3.31Å; K1538-I1541 VanDerWaalsContact O-N 3.13Å; E1539-I1541 VanDerWaalsContact C-N 3.27Å; E1539-I1541 PolarHBondContact O-N 3.42Å; I1541-K1545 WeakPolarHBondContact O-CB 3.48Å; I1541-K1545 PolarHBondContact O-N 2.92Å
1542T72.5Confident63.8Low92 Ų92102.4 Ų102.456%0.56452%0.522SS*.Hα-helixtrans-66.5-43.4174.527.30000111.7K1538 E1539 L1544 K1545 E1546K1538-T1542 PolarHBondContact O-N 2.87Å; K1538-T1542 PolarHBondContact O-OG1 2.91Å; E1539-T1542 WeakPolarHBondContact CA-OG1 3.17Å; E1539-T1542 PolarHBondContact O-N 3.44Å; E1539-T1542 PolarHBondContact O-OG1 2.79Å; T1542-L1544 PolarHBondContact O-N 3.2Å; T1542-K1545 PolarHBondContact O-N 2.87Å; T1542-E1546 WeakPolarHBondContact O-CB 3.31Å; T1542-E1546 PolarHBondContact O-N 2.89Å
1543Q71.3Confident65.5Low92 Ų92104.8 Ų104.843%0.4351%0.514SS..Hα-helixtrans-63.6-39.3176.2-71.7-179.53800112.4E1539 E1546 R1547E1539-Q1543 VanDerWaalsContact O-CB 3.27Å; E1539-Q1543 WeakPolarHBondContact O-CB 3Å; E1539-Q1543 VanDerWaalsContact O-CG 3.23Å; E1539-Q1543 WeakPolarHBondContact O-CG 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.25Å; Q1543-E1546 PolarHBondContact O-N 3.4Å; Q1543-R1547 WeakPolarHBondContact O-CB 3.05Å; Q1543-R1547 VanDerWaalsContact O-CG 3.28Å; Q1543-R1547 WeakPolarHBondContact O-CG 3.39Å; Q1543-R1547 PolarHBondContact O-N 3.35Å
1544L70Confident67.6Low111 Ų11199.5 Ų99.558%0.58149%0.486SS*.Hα-helixtrans-64.4-40.1173.2-79.3167000111.6E1540 T1542 R1547 L1548E1540-L1544 WeakPolarHBondContact O-CB 3.15Å; E1540-L1544 WeakPolarHBondContact O-CD1 3.14Å; E1540-L1544 WeakPolarHBondContact O-CG 3.11Å; E1540-L1544 PolarHBondContact O-N 2.85Å; T1542-L1544 PolarHBondContact O-N 3.2Å; L1544-R1547 PolarHBondContact O-N 2.88Å; L1544-L1548 WeakPolarHBondContact O-CB 3.22Å; L1544-L1548 PolarHBondContact O-N 3.1Å
1545K74.5Confident69.7Low154 Ų15494.4 Ų94.467%0.6747%0.468SS*.Hα-helixtrans-66.5-39.1176.8-154175-172.4-1780111.7I1541 T1542 L1548 E1549I1541-K1545 WeakPolarHBondContact O-CB 3.48Å; I1541-K1545 PolarHBondContact O-N 2.92Å; T1542-K1545 PolarHBondContact O-N 2.87Å; K1545-L1548 PolarHBondContact O-N 3.36Å; K1545-E1549 PolarHBondContact O-N 3.1Å
1546E79.6Confident71.9Confident100 Ų10094.9 Ų94.947%0.46747%0.471SS..Hα-helixtrans-70.1-41.3175.7-162.3-158.8141.500112.4T1542 Q1543 L1548 E1549 K1550T1542-E1546 WeakPolarHBondContact O-CB 3.31Å; T1542-E1546 PolarHBondContact O-N 2.89Å; Q1543-E1546 PolarHBondContact O-N 3.4Å; E1546-L1548 VanDerWaalsContact C-N 3.33Å; E1546-L1548 PolarHBondContact O-N 2.81Å; E1546-E1549 PolarHBondContact O-N 2.94Å; E1546-K1550 WeakPolarHBondContact O-CB 3.32Å; E1546-K1550 WeakPolarHBondContact O-CG 2.82Å; E1546-K1550 PolarHBondContact O-N 2.84Å; E1546-K1550 VanDerWaalsContact OE1-CE 3.23Å; E1546-K1550 WeakPolarHBondContact OE1-CE 3.04Å; E1546-K1550 IonicContact OE1-NZ 3.69Å; E1546-K1550 PolarHBondContact OE1-NZ 3.11Å
1547R76.2Confident74Confident81 Ų8194.3 Ų94.331%0.30646%0.463SS..Hα-helixtrans-59.7-43.4171.8-78.1177.5178.3-153.45.1111.4A1530 Q1543 L1544 K1550 E1551A1530-R1547 PolarHBondContact O-NH1 2.82Å; Q1543-R1547 WeakPolarHBondContact O-CB 3.05Å; Q1543-R1547 VanDerWaalsContact O-CG 3.28Å; Q1543-R1547 WeakPolarHBondContact O-CG 3.39Å; Q1543-R1547 PolarHBondContact O-N 3.35Å; L1544-R1547 PolarHBondContact O-N 2.88Å; R1547-K1550 PolarHBondContact O-N 2.61Å; R1547-E1551 WeakPolarHBondContact O-CB 3.35Å; R1547-E1551 PolarHBondContact O-N 3.35Å
1548L77.7Confident75.5Confident89 Ų8994.6 Ų94.647%0.46646%0.455SS..Hα-helixtrans-65-37.9177.8-175.365.9000112.1L1544 K1545 E1546 K1552L1544-L1548 WeakPolarHBondContact O-CB 3.22Å; L1544-L1548 PolarHBondContact O-N 3.1Å; K1545-L1548 PolarHBondContact O-N 3.36Å; E1546-L1548 VanDerWaalsContact C-N 3.33Å; E1546-L1548 PolarHBondContact O-N 2.81Å; L1548-K1552 WeakPolarHBondContact O-CB 2.91Å; L1548-K1552 VanDerWaalsContact O-CG 3.24Å; L1548-K1552 WeakPolarHBondContact O-CG 3.35Å; L1548-K1552 PolarHBondContact O-N 2.76Å
1549E82.4Confident77.1Confident108 Ų10891.8 Ų91.851%0.50545%0.452SS..Hα-helixtrans-64.4-45.1170.7-82.9-61.6114.900112.3K1545 E1546 E1551 K1552 R1553K1545-E1549 PolarHBondContact O-N 3.1Å; E1546-E1549 PolarHBondContact O-N 2.94Å; E1549-E1551 PolarHBondContact O-N 3.29Å; E1549-K1552 PolarHBondContact O-N 3.4Å; E1549-K1552 IonicContact OE1-NZ 2.69Å; E1549-K1552 PolarHBondContact OE1-NZ 3.35Å; E1549-R1553 WeakPolarHBondContact O-CB 3.38Å; E1549-R1553 PolarHBondContact O-N 2.88Å
1550K82.6Confident78.5Confident108 Ų10893.4 Ų93.447%0.4745%0.453SS..Hα-helixtrans-61.3-43.5176.3-78.4170.9167.3170.10112.3E1546 R1547 R1553 L1554E1546-K1550 WeakPolarHBondContact O-CB 3.32Å; E1546-K1550 WeakPolarHBondContact O-CG 2.82Å; E1546-K1550 PolarHBondContact O-N 2.84Å; E1546-K1550 VanDerWaalsContact OE1-CE 3.23Å; E1546-K1550 WeakPolarHBondContact OE1-CE 3.04Å; E1546-K1550 IonicContact OE1-NZ 3.69Å; E1546-K1550 PolarHBondContact OE1-NZ 3.11Å; R1547-K1550 PolarHBondContact O-N 2.61Å; K1550-R1553 PolarHBondContact O-N 2.82Å; K1550-L1554 WeakPolarHBondContact O-CG 2.97Å; K1550-L1554 PolarHBondContact O-N 2.81Å
1551E77.8Confident79.7Confident85 Ų8591.3 Ų91.340%0.39745%0.447SS..Hα-helixtrans-64.4-44.8176.8-173.9176.3-161.100112L1524 R1547 E1549 R1553 L1554 T1555L1524-E1551 HydrophobicContact CD2-CG 4.18Å; R1547-E1551 WeakPolarHBondContact O-CB 3.35Å; R1547-E1551 PolarHBondContact O-N 3.35Å; E1549-E1551 PolarHBondContact O-N 3.29Å; E1551-R1553 VanDerWaalsContact C-N 3.32Å; E1551-R1553 PolarHBondContact O-N 2.73Å; E1551-L1554 PolarHBondContact O-N 3.48Å; E1551-T1555 WeakPolarHBondContact O-CB 3.44Å; E1551-T1555 PolarHBondContact O-N 2.76Å; E1551-T1555 PolarHBondContact O-OG1 2.83Å
1552K84.4Confident80.3Confident111 Ų11188.7 Ų88.748%0.48344%0.442SS..Hα-helixtrans-58-43.9173.4-74.7171.3-171.6170.60112L1548 E1549 T1555 S1556L1548-K1552 WeakPolarHBondContact O-CB 2.91Å; L1548-K1552 VanDerWaalsContact O-CG 3.24Å; L1548-K1552 WeakPolarHBondContact O-CG 3.35Å; L1548-K1552 PolarHBondContact O-N 2.76Å; E1549-K1552 PolarHBondContact O-N 3.4Å; E1549-K1552 IonicContact OE1-NZ 2.69Å; E1549-K1552 PolarHBondContact OE1-NZ 3.35Å; K1552-T1555 PolarHBondContact O-N 2.86Å; K1552-S1556 WeakPolarHBondContact O-CB 3.22Å; K1552-S1556 PolarHBondContact O-N 2.59Å
1553R87.6Confident80.8Confident183 Ų18389.5 Ų89.569%0.69144%0.442SS*.Hα-helixtrans-64-51.5-179.8-175.5172.5177.3165.6-1.7111.5E1549 K1550 E1551 T1555 S1556 D1557E1549-R1553 WeakPolarHBondContact O-CB 3.38Å; E1549-R1553 PolarHBondContact O-N 2.88Å; K1550-R1553 PolarHBondContact O-N 2.82Å; E1551-R1553 VanDerWaalsContact C-N 3.32Å; E1551-R1553 PolarHBondContact O-N 2.73Å; R1553-T1555 VanDerWaalsContact C-N 3.27Å; R1553-T1555 PolarHBondContact O-N 2.8Å; R1553-S1556 WeakPolarHBondContact O-CB 3.22Å; R1553-S1556 PolarHBondContact O-N 2.8Å; R1553-S1556 VanDerWaalsContact O-N 3.11Å; R1553-D1557 PolarHBondContact O-N 2.78Å
1554L84.3Confident81.4Confident36 Ų3691.8 Ų91.819%0.18845%0.451CS..Hα-helixtrans-58.8-38.4176.2-71.7170.7000112.2I1520 E1523 L1524 L1527 K1550 E1551 D1557 L1558I1520-L1554 HydrophobicContact CG2-CD2 4.44Å; E1523-L1554 HydrophobicContact CB-CD1 4.29Å; L1524-L1554 HydrophobicContact CD2-CB 3.81Å; L1524-L1554 HydrophobicContact CD2-CD1 4.23Å; L1524-L1554 HydrophobicContact CG-CB 4.31Å; L1527-L1554 HydrophobicContact CD1-CD1 3.58Å; K1550-L1554 WeakPolarHBondContact O-CG 2.97Å; K1550-L1554 PolarHBondContact O-N 2.81Å; E1551-L1554 PolarHBondContact O-N 3.48Å; L1554-D1557 PolarHBondContact O-N 3.4Å; L1554-L1558 WeakPolarHBondContact O-CB 3.46Å; L1554-L1558 PolarHBondContact O-N 2.72Å
1555T85.4Confident82.2Confident78 Ų7888.1 Ų88.148%0.47943%0.431SS..Hα-helixtrans-65.7-39.9175.8-56.20000112E1551 K1552 R1553 G1559E1551-T1555 WeakPolarHBondContact O-CB 3.44Å; E1551-T1555 PolarHBondContact O-N 2.76Å; E1551-T1555 PolarHBondContact O-OG1 2.83Å; K1552-T1555 PolarHBondContact O-N 2.86Å; R1553-T1555 VanDerWaalsContact C-N 3.27Å; R1553-T1555 PolarHBondContact O-N 2.8Å; T1555-G1559 PolarHBondContact O-N 3.46Å
1556S85.8Confident82.6Confident67 Ų6785.6 Ų85.647%0.46942%0.422SS..Hα-helixtrans-64.2-44.8175.4-170.80000111.8K1552 R1553 G1559 R1560K1552-S1556 WeakPolarHBondContact O-CB 3.22Å; K1552-S1556 PolarHBondContact O-N 2.59Å; R1553-S1556 WeakPolarHBondContact O-CB 3.22Å; R1553-S1556 PolarHBondContact O-N 2.8Å; R1553-S1556 VanDerWaalsContact O-N 3.11Å; S1556-G1559 PolarHBondContact O-N 2.87Å; S1556-R1560 PolarHBondContact O-N 2.79Å
1557D86.3Confident82.8Confident56 Ų5686.9 Ų86.930%0.29943%0.428SS..Hα-helixtrans-73-33.3-178.8-66.9-31.8000112.3R1553 L1554 R1560 A1561R1553-D1557 PolarHBondContact O-N 2.78Å; L1554-D1557 PolarHBondContact O-N 3.4Å; D1557-R1560 WeakPolarHBondContact O-CB 3.45Å; D1557-R1560 PolarHBondContact O-N 3.33Å; D1557-R1560 IonicContact OD1-CZ 2.73Å; D1557-R1560 IonicContact OD1-NE 2.66Å; D1557-R1560 PolarHBondContact OD1-NE 2.91Å; D1557-R1560 IonicContact OD1-NH2 3.1Å; D1557-R1560 PolarHBondContact OD1-NH2 2.65Å; D1557-A1561 PolarHBondContact O-N 3.24Å
1558L83.9Confident83.3Confident48 Ų4885.9 Ų85.925%0.25143%0.429SS..Hα-helixtrans-61.7-44.1168.1-175.562.4000111.9I1520 L1524 L1554 R1560 A1561 A1562I1520-L1558 HydrophobicContact CB-CD1 4.33Å; I1520-L1558 HydrophobicContact CG2-CB 3.98Å; I1520-L1558 HydrophobicContact CG2-CD1 4.2Å; I1520-L1558 HydrophobicContact CG2-CG 4.49Å; L1524-L1558 HydrophobicContact CD1-CD2 4Å; L1554-L1558 WeakPolarHBondContact O-CB 3.46Å; L1554-L1558 PolarHBondContact O-N 2.72Å; L1558-R1560 VanDerWaalsContact C-N 3.3Å; L1558-R1560 PolarHBondContact O-N 2.82Å; L1558-A1561 PolarHBondContact O-N 2.65Å; L1558-A1562 PolarHBondContact O-N 2.74Å
1559G83.1Confident83.7Confident34 Ų3484.9 Ų84.935%0.35142%0.423SS..Hα-helixtrans-60.9-39.5174.100000112.4T1555 S1556 A1562 I1563T1555-G1559 PolarHBondContact O-N 3.46Å; S1556-G1559 PolarHBondContact O-N 2.87Å; G1559-A1562 PolarHBondContact O-N 2.78Å; G1559-I1563 WeakPolarHBondContact O-CG1 3.13Å; G1559-I1563 PolarHBondContact O-N 2.76Å; G1559-I1563 VanDerWaalsContact O-N 3.11Å
1560R81Confident83.8Confident149 Ų14985.6 Ų85.656%0.56243%0.425SS*.Hα-helixtrans-66.2-36.4176.2-151.7-171.2-52.2-105.72.6112.4S1556 D1557 L1558 K1564S1556-R1560 PolarHBondContact O-N 2.79Å; D1557-R1560 WeakPolarHBondContact O-CB 3.45Å; D1557-R1560 PolarHBondContact O-N 3.33Å; D1557-R1560 IonicContact OD1-CZ 2.73Å; D1557-R1560 IonicContact OD1-NE 2.66Å; D1557-R1560 PolarHBondContact OD1-NE 2.91Å; D1557-R1560 IonicContact OD1-NH2 3.1Å; D1557-R1560 PolarHBondContact OD1-NH2 2.65Å; L1558-R1560 VanDerWaalsContact C-N 3.3Å; L1558-R1560 PolarHBondContact O-N 2.82Å; R1560-K1564 PolarHBondContact O-N 2.78Å
1561A81.7Confident83.7Confident24 Ų2483.6 Ų83.620%0.19842%0.421CS..Hα-helixtrans-68.2-41.7173.700000112.2D1557 L1558 I1563 K1564 L1565D1557-A1561 PolarHBondContact O-N 3.24Å; L1558-A1561 PolarHBondContact O-N 2.65Å; A1561-I1563 VanDerWaalsContact C-N 3.32Å; A1561-I1563 PolarHBondContact O-N 3.44Å; A1561-K1564 PolarHBondContact O-N 3.48Å; A1561-L1565 PolarHBondContact O-N 2.68Å; A1561-L1565 VanDerWaalsContact O-N 3.07Å
1562A78.7Confident84Confident56 Ų5682.1 Ų82.146%0.46342%0.419SS..Hα-helixtrans-61.4-38.7176.400000112.6L1558 G1559 L1565 Q1566L1558-A1562 PolarHBondContact O-N 2.74Å; G1559-A1562 PolarHBondContact O-N 2.78Å; A1562-L1565 PolarHBondContact O-N 2.68Å; A1562-Q1566 PolarHBondContact O-N 3.07Å
1563I82.2Confident83.9Confident109 Ų10981 Ų8156%0.55942%0.415SS*.Hα-helixtrans-61.8-47.3174.4-68.7165.3000110.9G1559 A1561 L1565 Q1566 E1567G1559-I1563 WeakPolarHBondContact O-CG1 3.13Å; G1559-I1563 PolarHBondContact O-N 2.76Å; G1559-I1563 VanDerWaalsContact O-N 3.11Å; A1561-I1563 VanDerWaalsContact C-N 3.32Å; A1561-I1563 PolarHBondContact O-N 3.44Å; I1563-L1565 VanDerWaalsContact C-N 3.35Å; I1563-L1565 PolarHBondContact O-N 2.73Å; I1563-Q1566 PolarHBondContact O-N 2.85Å; I1563-E1567 WeakPolarHBondContact O-CB 3.41Å; I1563-E1567 PolarHBondContact O-N 3.47Å
1564K84.8Confident83.7Confident141 Ų14176.1 Ų76.161%0.61340%0.4SS*.Hα-helixtrans-58.9-42.7177.2-75.5-172.6171.8-169.40112.8R1560 A1561 Q1566 E1567 L1568R1560-K1564 PolarHBondContact O-N 2.78Å; A1561-K1564 PolarHBondContact O-N 3.48Å; K1564-Q1566 VanDerWaalsContact C-N 3.35Å; K1564-E1567 PolarHBondContact O-N 3.25Å; K1564-L1568 WeakPolarHBondContact O-CG 3.02Å; K1564-L1568 PolarHBondContact O-N 3.28Å
1565L85.5Confident83.6Confident33 Ų3378 Ų7817%0.17341%0.408CS..Hα-helixtrans-60.9-42.9175.5-86.9163.4000112F1510 A1513 A1561 A1562 I1563 E1567 L1568 L1569F1510-L1565 HydrophobicContact CD2-CD2 3.82Å; F1510-L1565 HydrophobicContact CE2-CD2 3.79Å; A1513-L1565 HydrophobicContact CB-CD1 4.36Å; A1513-L1565 HydrophobicContact CB-CD2 3.7Å; A1513-L1565 HydrophobicContact CB-CG 3.99Å; A1561-L1565 PolarHBondContact O-N 2.68Å; A1561-L1565 VanDerWaalsContact O-N 3.07Å; A1562-L1565 PolarHBondContact O-N 2.68Å; I1563-L1565 VanDerWaalsContact C-N 3.35Å; I1563-L1565 PolarHBondContact O-N 2.73Å; L1565-E1567 VanDerWaalsContact C-N 3.32Å; L1565-E1567 PolarHBondContact O-N 2.83Å; L1565-L1568 PolarHBondContact O-N 2.89Å; L1565-L1569 WeakPolarHBondContact O-CG 3.44Å; L1565-L1569 PolarHBondContact O-N 2.7Å
1566Q82.7Confident83.4Confident101 Ų10175.7 Ų75.747%0.47239%0.392SS..Hα-helixtrans-68.3-32.1178-164.3168.876.500112.3S1432 A1562 I1563 K1564 K1570S1432-Q1566 PolarHBondContact OG-NE2 2.78Å; S1432-Q1566 VanDerWaalsContact OG-NE2 3.16Å; A1562-Q1566 PolarHBondContact O-N 3.07Å; I1563-Q1566 PolarHBondContact O-N 2.85Å; K1564-Q1566 VanDerWaalsContact C-N 3.35Å; Q1566-K1570 WeakPolarHBondContact O-CB 3.08Å; Q1566-K1570 PolarHBondContact O-N 2.82Å; Q1566-K1570 VanDerWaalsContact O-N 3.13Å
1567E84.7Confident83Confident128 Ų12876 Ų7660%0.59839%0.392SS*.Hα-helixtrans-71.2-41.6175-162.3163-133.500112.2I1563 K1564 L1565 K1570 T1571I1563-E1567 WeakPolarHBondContact O-CB 3.41Å; I1563-E1567 PolarHBondContact O-N 3.47Å; K1564-E1567 PolarHBondContact O-N 3.25Å; L1565-E1567 VanDerWaalsContact C-N 3.32Å; L1565-E1567 PolarHBondContact O-N 2.83Å; E1567-K1570 PolarHBondContact O-N 2.71Å; E1567-T1571 PolarHBondContact O-N 2.73Å; E1567-T1571 PolarHBondContact O-OG1 3.38Å
1568L86.3Confident82.7Confident60 Ų6079.4 Ų79.431%0.31440%0.404SS..Hα-helixtrans-63.6-41.6172.6-74.2168.8000112.8K1564 L1565 K1570 T1571 T1572K1564-L1568 WeakPolarHBondContact O-CG 3.02Å; K1564-L1568 PolarHBondContact O-N 3.28Å; L1565-L1568 PolarHBondContact O-N 2.89Å; L1568-K1570 VanDerWaalsContact C-N 3.3Å; L1568-K1570 PolarHBondContact O-N 3.36Å; L1568-T1571 PolarHBondContact O-N 3.13Å; L1568-T1571 PolarHBondContact O-OG1 2.85Å; L1568-T1572 WeakPolarHBondContact O-CB 3.05Å; L1568-T1572 PolarHBondContact O-N 2.85Å; L1568-T1572 PolarHBondContact O-OG1 2.68Å
1569L85.5Confident82Confident67 Ų6779.8 Ų79.835%0.35140%0.404SS..Hα-helixtrans-61.1-41.3174-74.6165.1000111.3L1436 F1510 L1565 T1572 Q1573L1436-L1569 HydrophobicContact CD1-CD1 3.77Å; L1436-L1569 HydrophobicContact CD1-CD2 4.01Å; F1510-L1569 HydrophobicContact CE2-CD2 4.4Å; L1565-L1569 WeakPolarHBondContact O-CG 3.44Å; L1565-L1569 PolarHBondContact O-N 2.7Å; L1569-T1572 WeakPolarHBondContact O-CB 2.89Å; L1569-T1572 PolarHBondContact O-N 2.56Å; L1569-Q1573 PolarHBondContact O-N 2.78Å
1570K86.4Confident81.8Confident123 Ų12382.7 Ų82.754%0.53541%0.407SS..Hα-helixtrans-65.7-43.7178.1-177175.7176.5-66.10112.8Q1566 E1567 L1568 T1572 Q1573 E1574Q1566-K1570 WeakPolarHBondContact O-CB 3.08Å; Q1566-K1570 PolarHBondContact O-N 2.82Å; Q1566-K1570 VanDerWaalsContact O-N 3.13Å; E1567-K1570 PolarHBondContact O-N 2.71Å; L1568-K1570 VanDerWaalsContact C-N 3.3Å; L1568-K1570 PolarHBondContact O-N 3.36Å; K1570-T1572 VanDerWaalsContact C-N 3.32Å; K1570-T1572 PolarHBondContact O-N 2.83Å; K1570-Q1573 PolarHBondContact O-N 2.63Å; K1570-E1574 IonicContact NZ-OE1 2.64Å; K1570-E1574 PolarHBondContact NZ-OE1 3.17Å; K1570-E1574 WeakPolarHBondContact O-CG 3.3Å; K1570-E1574 PolarHBondContact O-N 2.73Å
1571T79.7Confident81.6Confident66 Ų6680.8 Ų80.841%0.40541%0.408SS..Hα-helixtrans-67.4-34.1176.855.10000112.2E1567 L1568 E1574 Q1575E1567-T1571 PolarHBondContact O-N 2.73Å; E1567-T1571 PolarHBondContact O-OG1 3.38Å; L1568-T1571 PolarHBondContact O-N 3.13Å; L1568-T1571 PolarHBondContact O-OG1 2.85Å; T1571-E1574 PolarHBondContact O-N 2.75Å; T1571-Q1575 PolarHBondContact O-N 3.04Å; T1571-Q1575 VanDerWaalsContact O-N 3.07Å
1572T84.6Confident81.3Confident55 Ų5583.7 Ų83.734%0.33742%0.423SS..Hα-helixtrans-61.2-49.5171.9-52.20000111.1L1506 L1568 L1569 K1570 E1574 Q1575 L1576L1506-T1572 HydrophobicContact CD2-CG2 4.02Å; L1506-T1572 WeakPolarHBondContact CD2-OG1 3.37Å; L1568-T1572 WeakPolarHBondContact O-CB 3.05Å; L1568-T1572 PolarHBondContact O-N 2.85Å; L1568-T1572 PolarHBondContact O-OG1 2.68Å; L1569-T1572 WeakPolarHBondContact O-CB 2.89Å; L1569-T1572 PolarHBondContact O-N 2.56Å; K1570-T1572 VanDerWaalsContact C-N 3.32Å; K1570-T1572 PolarHBondContact O-N 2.83Å; T1572-E1574 VanDerWaalsContact C-N 3.3Å; T1572-E1574 PolarHBondContact O-N 2.75Å; T1572-Q1575 PolarHBondContact O-N 2.66Å; T1572-Q1575 VanDerWaalsContact O-N 3.11Å; T1572-L1576 PolarHBondContact O-N 2.7Å
1573Q80.8Confident80.9Confident88 Ų8885.4 Ų85.441%0.41143%0.428SS..Hα-helixtrans-60.1-38.9177.7-162.372.827.900112.2L1569 K1570 T1577L1569-Q1573 PolarHBondContact O-N 2.78Å; K1570-Q1573 PolarHBondContact O-N 2.63Å; Q1573-T1577 PolarHBondContact O-N 2.87Å; Q1573-T1577 PolarHBondContact O-OG1 2.7Å
1574E83.3Confident80.7Confident80 Ų8085.9 Ų85.937%0.37443%0.426SS..Hα-helixtrans-70.3-25.5176.5-76.2179.4-154.300113.9K1570 T1571 T1572 K1578K1570-E1574 IonicContact NZ-OE1 2.64Å; K1570-E1574 PolarHBondContact NZ-OE1 3.17Å; K1570-E1574 WeakPolarHBondContact O-CG 3.3Å; K1570-E1574 PolarHBondContact O-N 2.73Å; T1571-E1574 PolarHBondContact O-N 2.75Å; T1572-E1574 VanDerWaalsContact C-N 3.3Å; T1572-E1574 PolarHBondContact O-N 2.75Å; E1574-K1578 VanDerWaalsContact O-CD 3.28Å; E1574-K1578 WeakPolarHBondContact O-CD 3.36Å; E1574-K1578 WeakPolarHBondContact O-CE 3.04Å; E1574-K1578 WeakPolarHBondContact O-CG 3.46Å
1575Q82.3Confident80.2Confident75 Ų7586 Ų8635%0.3543%0.426SS..Hα-helixtrans-74.8-50.8169.9-73-169.1-11.900110.7T1571 T1572 T1577 K1578 E1579T1571-Q1575 PolarHBondContact O-N 3.04Å; T1571-Q1575 VanDerWaalsContact O-N 3.07Å; T1572-Q1575 PolarHBondContact O-N 2.66Å; T1572-Q1575 VanDerWaalsContact O-N 3.11Å; Q1575-T1577 PolarHBondContact O-N 2.71Å; Q1575-T1577 VanDerWaalsContact O-N 3.13Å; Q1575-K1578 WeakPolarHBondContact O-CB 3.19Å; Q1575-K1578 PolarHBondContact O-N 3.33Å; Q1575-E1579 PolarHBondContact O-N 3.15Å
1576L81.1Confident79.3Confident29 Ų2989.1 Ų89.115%0.15244%0.443CS..Hα-helixtrans-54.4-36.3178.9-159.872.6000112.6T1572 E1579 K1580T1572-L1576 PolarHBondContact O-N 2.7Å; L1576-E1579 WeakPolarHBondContact O-CB 3.48Å; L1576-E1579 PolarHBondContact O-N 2.92Å; L1576-K1580 PolarHBondContact O-N 3.23Å
1577T77.7Confident78.4Confident74 Ų7491 Ų9145%0.45445%0.452SS..Hα-helixtrans-67.7-41.3176.6-51.30000112.2Q1573 Q1575 E1579 K1580 D1581Q1573-T1577 PolarHBondContact O-N 2.87Å; Q1573-T1577 PolarHBondContact O-OG1 2.7Å; Q1575-T1577 PolarHBondContact O-N 2.71Å; Q1575-T1577 VanDerWaalsContact O-N 3.13Å; T1577-E1579 VanDerWaalsContact C-N 3.32Å; T1577-K1580 PolarHBondContact O-N 2.89Å; T1577-D1581 PolarHBondContact O-N 2.75Å; T1577-D1581 VanDerWaalsContact O-N 3.11Å
1578K80.3Confident77.6Confident127 Ų12789.8 Ų89.855%0.55245%0.446SS*.Hα-helixtrans-68.6-32.8176.5-67.7163.8-171.9161.10111.9E1574 Q1575 T1582E1574-K1578 VanDerWaalsContact O-CD 3.28Å; E1574-K1578 WeakPolarHBondContact O-CD 3.36Å; E1574-K1578 WeakPolarHBondContact O-CE 3.04Å; E1574-K1578 WeakPolarHBondContact O-CG 3.46Å; Q1575-K1578 WeakPolarHBondContact O-CB 3.19Å; Q1575-K1578 PolarHBondContact O-N 3.33Å; K1578-T1582 WeakPolarHBondContact O-CB 3.46Å; K1578-T1582 PolarHBondContact O-N 2.99Å; K1578-T1582 PolarHBondContact O-OG1 3.38Å
1579E70.6Confident76.3Confident56 Ų5693.2 Ų93.226%0.26246%0.461SS..Hα-helixtrans-61.6-51.8172.1-122.4158.3-114.900110.8R1503 Q1575 L1576 T1577 D1581 T1582 V1583R1503-E1579 IonicContact CZ-OE2 2.72Å; R1503-E1579 IonicContact NH2-OE1 3.18Å; R1503-E1579 IonicContact NH2-OE2 2.89Å; R1503-E1579 PolarHBondContact NH2-OE2 2.65Å; Q1575-E1579 PolarHBondContact O-N 3.15Å; L1576-E1579 WeakPolarHBondContact O-CB 3.48Å; L1576-E1579 PolarHBondContact O-N 2.92Å; T1577-E1579 VanDerWaalsContact C-N 3.32Å; E1579-D1581 VanDerWaalsContact C-N 3.35Å; E1579-D1581 PolarHBondContact O-N 2.68Å; E1579-T1582 WeakPolarHBondContact O-CA 3.02Å; E1579-T1582 WeakPolarHBondContact O-CB 3.26Å; E1579-T1582 PolarHBondContact O-N 2.73Å; E1579-V1583 WeakPolarHBondContact O-CG2 3.47Å; E1579-V1583 PolarHBondContact O-N 3.48Å
1580K77.1Confident74.9Confident95 Ų9596.5 Ų96.541%0.41348%0.478SS..Hα-helixtrans-57.8-43.1176.5-73.4-170.4179-169.30112.9E1442 Q1446 L1576 T1577 T1582 K1584E1442-K1580 IonicContact OE1-NZ 2.73Å; E1442-K1580 PolarHBondContact OE1-NZ 3.39Å; Q1446-K1580 VanDerWaalsContact OE1-CE 3.25Å; L1576-K1580 PolarHBondContact O-N 3.23Å; T1577-K1580 PolarHBondContact O-N 2.89Å; K1580-T1582 VanDerWaalsContact C-N 3.29Å; K1580-T1582 PolarHBondContact O-N 2.81Å; K1580-K1584 WeakPolarHBondContact O-CB 3.47Å; K1580-K1584 PolarHBondContact O-N 2.73Å
1581D78Confident73.2Confident110 Ų11092.8 Ų92.859%0.58847%0.474SS*.Hα-helixtrans-62.9-35.1174.4-82.7-23.2000112.2T1577 E1579 K1585T1577-D1581 PolarHBondContact O-N 2.75Å; T1577-D1581 VanDerWaalsContact O-N 3.11Å; E1579-D1581 VanDerWaalsContact C-N 3.35Å; E1579-D1581 PolarHBondContact O-N 2.68Å; D1581-K1585 WeakPolarHBondContact O-CB 3.4Å; D1581-K1585 PolarHBondContact O-N 2.77Å; D1581-K1585 VanDerWaalsContact O-N 3.14Å
1582T74.9Confident71.8Confident84 Ų8497.5 Ų97.552%0.51549%0.489SS..Hα-helixtrans-72.4-46.5178.9-56.70000111.7K1578 E1579 K1580 K1584 K1585 L1586K1578-T1582 WeakPolarHBondContact O-CB 3.46Å; K1578-T1582 PolarHBondContact O-N 2.99Å; K1578-T1582 PolarHBondContact O-OG1 3.38Å; E1579-T1582 WeakPolarHBondContact O-CA 3.02Å; E1579-T1582 WeakPolarHBondContact O-CB 3.26Å; E1579-T1582 PolarHBondContact O-N 2.73Å; K1580-T1582 VanDerWaalsContact C-N 3.29Å; K1580-T1582 PolarHBondContact O-N 2.81Å; T1582-K1584 PolarHBondContact O-N 2.72Å; T1582-K1585 WeakPolarHBondContact O-CB 3.34Å; T1582-K1585 PolarHBondContact O-N 3.48Å; T1582-K1585 VanDerWaalsContact O-N 3.11Å; T1582-L1586 PolarHBondContact O-N 2.86Å; T1582-L1586 VanDerWaalsContact O-N 3.07Å
1583V70.1Confident70.1Confident92 Ų9298.8 Ų98.856%0.55851%0.505SS*.Hα-helixtrans-58.7-46.5175172.60000110.7E1579 K1585 L1586 Q1587E1579-V1583 WeakPolarHBondContact O-CG2 3.47Å; E1579-V1583 PolarHBondContact O-N 3.48Å; V1583-K1585 VanDerWaalsContact C-N 3.25Å; V1583-K1585 PolarHBondContact O-N 2.75Å; V1583-L1586 PolarHBondContact O-N 2.94Å; V1583-Q1587 PolarHBondContact O-N 2.81Å
1584K77.7Confident68.4Low119 Ų119102.6 Ų102.652%0.51752%0.523SS..Hα-helixtrans-58.3-38.4175.8-173.8-174.9173.8-166.90112.1K1580 T1582 Q1587 E1588K1580-K1584 WeakPolarHBondContact O-CB 3.47Å; K1580-K1584 PolarHBondContact O-N 2.73Å; T1582-K1584 PolarHBondContact O-N 2.72Å; K1584-Q1587 PolarHBondContact O-N 2.64Å; K1584-E1588 IonicContact NZ-OE1 2.61Å; K1584-E1588 PolarHBondContact O-N 3.26Å
1585K75.3Confident66.4Low143 Ų143106.1 Ų106.162%0.62254%0.544SS*.Hα-helixtrans-69.2-32.6179.6-150.3174.2-170179.30112.9D1581 T1582 V1583 Q1589D1581-K1585 WeakPolarHBondContact O-CB 3.4Å; D1581-K1585 PolarHBondContact O-N 2.77Å; D1581-K1585 VanDerWaalsContact O-N 3.14Å; T1582-K1585 WeakPolarHBondContact O-CB 3.34Å; T1582-K1585 PolarHBondContact O-N 3.48Å; T1582-K1585 VanDerWaalsContact O-N 3.11Å; V1583-K1585 VanDerWaalsContact C-N 3.25Å; V1583-K1585 PolarHBondContact O-N 2.75Å; K1585-Q1589 WeakPolarHBondContact O-CG 3.39Å; K1585-Q1589 PolarHBondContact O-N 3.46Å
1586L66.6Low64.3Low100 Ų100106.2 Ų106.252%0.52457%0.566SS.*Hα-helixtrans-70.6-40.7171.1-67.3168.8000111.1T1582 V1583 E1588 Q1589 L1590T1582-L1586 PolarHBondContact O-N 2.86Å; T1582-L1586 VanDerWaalsContact O-N 3.07Å; V1583-L1586 PolarHBondContact O-N 2.94Å; L1586-E1588 PolarHBondContact O-N 3.24Å; L1586-Q1589 WeakPolarHBondContact O-CB 3.22Å; L1586-Q1589 PolarHBondContact O-N 3.2Å; L1586-L1590 PolarHBondContact O-N 2.8Å
1587Q63.6Low62.3Low141 Ų141110.2 Ų110.266%0.65960%0.596SS**Hα-helixtrans-63.6-39.1175.8-160.6174.127.500112.4V1583 K1584 Q1589 L1590 G1591V1583-Q1587 PolarHBondContact O-N 2.81Å; K1584-Q1587 PolarHBondContact O-N 2.64Å; Q1587-Q1589 VanDerWaalsContact C-N 3.27Å; Q1587-Q1589 PolarHBondContact O-N 3.38Å; Q1587-L1590 PolarHBondContact O-N 2.78Å; Q1587-G1591 PolarHBondContact O-N 3.32Å
1588E67.8Low60.3Low102 Ų102111.9 Ų111.948%0.47761%0.611SS.*Hα-helixtrans-67.3-20.8171.1-86.7-175.9-162.500114.1K1584 L1586 K1592K1584-E1588 IonicContact NZ-OE1 2.61Å; K1584-E1588 PolarHBondContact O-N 3.26Å; L1586-E1588 PolarHBondContact O-N 3.24Å; E1588-K1592 WeakPolarHBondContact O-CG 3.36Å
1589Q60Low58.3Low132 Ų132111 Ų11162%0.61762%0.621SS**Hα-helixtrans-82.3-41.8173.8-75.4177.813.800111.5K1585 L1586 Q1587 K1592K1585-Q1589 WeakPolarHBondContact O-CG 3.39Å; K1585-Q1589 PolarHBondContact O-N 3.46Å; L1586-Q1589 WeakPolarHBondContact O-CB 3.22Å; L1586-Q1589 PolarHBondContact O-N 3.2Å; Q1587-Q1589 VanDerWaalsContact C-N 3.27Å; Q1587-Q1589 PolarHBondContact O-N 3.38Å; Q1589-K1592 PolarHBondContact O-N 2.83Å
1590L54.3Low56.9Low135 Ų135117.8 Ų117.871%0.70765%0.649SS**Hα-helixtrans-63.1-47.4174.3-75.7165.3000111.9L1586 Q1587 K1592 A1593L1586-L1590 PolarHBondContact O-N 2.8Å; Q1587-L1590 PolarHBondContact O-N 2.78Å; L1590-K1592 PolarHBondContact O-N 3.13Å; L1590-A1593 WeakPolarHBondContact O-CB 3.23Å; L1590-A1593 PolarHBondContact O-N 2.95Å; L1590-A1593 VanDerWaalsContact O-N 3.09Å
1591G52.4Low54.9Low45 Ų45123 Ų12346%0.46468%0.675SS.*THydrogen-bonded Turntrans-62.7-12.8-178.600000115.3Q1587Q1587-G1591 PolarHBondContact O-N 3.32Å
1592K50.5Low53.1Low166 Ų166121.3 Ų121.372%0.72268%0.684SS**THydrogen-bonded Turntrans-88.92.3176.7-77178.8179.2172.50114.5E1588 Q1589 L1590E1588-K1592 WeakPolarHBondContact O-CG 3.36Å; Q1589-K1592 PolarHBondContact O-N 2.83Å; L1590-K1592 PolarHBondContact O-N 3.13Å
1593A47.4Very low51.3Low82 Ų82124.5 Ų124.568%0.67870%0.703SS**SBendtrans-85.4-28.4174.600000113.5L1590L1590-A1593 WeakPolarHBondContact O-CB 3.23Å; L1590-A1593 PolarHBondContact O-N 2.95Å; L1590-A1593 VanDerWaalsContact O-N 3.09Å
1594E44.7Very low49.4Very low168 Ų168125.3 Ų125.379%0.78571%0.713SS**SBendtrans-94.8-20.4-168.8-66.1-166.3124.900115.6G1596E1594-G1596 PolarHBondContact O-N 2.94Å
1595D41.8Very low47.5Very low153 Ų153130 Ų13082%0.81875%0.751SS**THydrogen-bonded Turntrans-65.99.7176.4-86.8-29.3000114
1596G38.3Very low46.1Very low77 Ų77129.3 Ų129.379%0.79476%0.757SS**THydrogen-bonded Turntrans-89-0.8177.100000115.8E1594E1594-G1596 PolarHBondContact O-N 2.94Å
1597S38.5Very low45Very low113 Ų113130.8 Ų130.879%0.7977%0.77SS**  trans-133.378.7-176.1-164.70000113.8
1598S35.5Very low44Very low109 Ų109130.3 Ų130.376%0.76278%0.776SS**  trans-132.4108.3160.5580000110.6
1599S40Very low42.6Very low110 Ų110131.9 Ų131.977%0.76979%0.793SS**  trans-153.595174.1-86.70000113
1600K40.1Very low41.5Very low198 Ų198131.9 Ų131.986%0.86180%0.804SS**  trans61.989.2144.8-56.5173.3-176.2173.90116.9
1601E36.3Very low40.6Very low204 Ų204131.7 Ų131.795%0.95381%0.811SS**  trans-60.1142.9134.8-62.8-178.8135.500109.1
1602G39.2Very low39.8Very low74 Ų74137.9 Ų137.976%0.76384%0.836SS**  trans-163.8103.4-179.600000112
1603T36.8Very low39Very low151 Ų151135.8 Ų135.893%0.92684%0.844SS**  trans-122.287.2-179-560000110
1604S31.4Very low38.3Very low110 Ų110140.3 Ų140.377%0.76986%0.858SS**  trans-166.9124.8166.8177.20000110.3
1605V36.4Very low37.7Very low216 Ų216137.7 Ų137.7100%1.30987%0.865SS**  trans37.10162.6-168.80000116.3

Retrieved 1,605 of 1,605 residues in 237.6 ms (Link to these results)