A0A5K4F7T7_SCHMA Loading...

TruB_N domain-containing protein

AlphaFold DB (A0A5K4F4I7), UniProt , Accession A0A5K4F7T7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 416 aa.

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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
1M42.7Very low69.2Low216 Ų21655.3 Ų55.3100%1.06427%0.269SS*.  0120.60-73176162.100106
2Y47.7Very low70.2Confident85 Ų8553.1 Ų53.133%0.33326%0.259SS..  trans-70.6130.6172.8-178-99.9000106.3P4 Q8 I341 N342 L345Y2-P4 HydrophobicContact CD1-CB 4.31Å; Y2-P4 HydrophobicContact CE1-CB 4.16Å; Y2-P4 WeakPolarHBondContact O-CD 3.41Å; Y2-Q8 PolarHBondContact OH-NE2 3.02Å; Y2-I341 HydrophobicContact CD1-CG2 4.11Å; Y2-I341 HydrophobicContact CE1-CG2 4.39Å; Y2-N342 PolarHBondContact N-OD1 2.81Å; Y2-N342 PolarHBondContact O-ND2 3.34Å; Y2-N342 PolarHBondContact O-OD1 3.16Å; Y2-N342 VanDerWaalsContact O-OD1 3.07Å; Y2-L345 HydrophobicContact CD1-CD1 3.58Å; Y2-L345 HydrophobicContact CE1-CD1 4.5Å; Y2-L345 HydrophobicContact CG-CD1 3.58Å
3N53.3Low71Confident72 Ų7249.2 Ų49.239%0.38524%0.241SC..  trans-95.8100.4172.4-92.37.6000106.1G5N3-G5 PolarHBondContact O-N 3.2Å
4P60Low71.9Confident0 Ų049.3 Ų49.30%024%0.243CC..  trans-60.4134.417426.6-33.6000109.9Y2 Y334 F337 V338 I341Y2-P4 HydrophobicContact CD1-CB 4.31Å; Y2-P4 HydrophobicContact CE1-CB 4.16Å; Y2-P4 WeakPolarHBondContact O-CD 3.41Å; P4-Y334 PolarHBondContact O-OH 3.27Å; P4-F337 HydrophobicContact CB-CE1 4.05Å; P4-F337 HydrophobicContact CG-CE1 4.37Å; P4-V338 HydrophobicContact CG-CB 4.02Å; P4-V338 HydrophobicContact CG-CG1 4.15Å; P4-V338 HydrophobicContact CG-CG2 3.81Å; P4-I341 HydrophobicContact CB-CB 4.14Å; P4-I341 HydrophobicContact CB-CD1 3.34Å; P4-I341 HydrophobicContact CB-CG1 4.31Å; P4-I341 HydrophobicContact CB-CG2 4Å; P4-I341 HydrophobicContact CG-CB 3.98Å; P4-I341 HydrophobicContact CG-CD1 3.86Å; P4-I341 HydrophobicContact CG-CG1 4.46Å; P4-I341 HydrophobicContact CG-CG2 4.17Å
5G70.1Confident72.8Confident6 Ų646 Ų466%0.06223%0.226CC..  trans-72.5158.8-174.200000113.3N3 I7 Q8 L9 E48N3-G5 PolarHBondContact O-N 3.2Å; G5-I7 PolarHBondContact O-N 3.49Å; G5-Q8 PolarHBondContact O-N 3.4Å; G5-Q8 VanDerWaalsContact O-N 3.15Å; G5-L9 PolarHBondContact O-N 3.46Å; G5-E48 WeakPolarHBondContact CA-OE1 3.27Å
6R78.6Confident73.8Confident19 Ų1943.1 Ų43.17%0.07221%0.212CC..Hα-helixtrans-55.9-26.1162.3-60.6-178.6-170.8162.43.2110.6L9 F10 L45 P46 E48 F86 Y334R6-L9 PolarHBondContact O-N 3.31Å; R6-F10 WeakPolarHBondContact O-CB 3.46Å; R6-F10 PolarHBondContact O-N 3.41Å; R6-L45 HydrophobicContact CG-CB 4.24Å; R6-L45 PolarHBondContact NE-O 3.29Å; R6-L45 PolarHBondContact NH2-O 2.86Å; R6-P46 PolarHBondContact NE-O 3.09Å; R6-P46 PolarHBondContact NH2-O 3.39Å; R6-E48 PolarHBondContact N-OE1 3.24Å; R6-F86 HydrophobicContact CB-CE2 3.7Å; R6-F86 HydrophobicContact CB-CZ 3.79Å; R6-Y334 HydrophobicContact CG-CE2 4.38Å
7I80.1Confident74.8Confident58 Ų5840.6 Ų40.630%0.29720%0.2SC..Hα-helixtrans-64.4-45.4176.5-52.9160.9000111.2G5 L9 F10 N11G5-I7 PolarHBondContact O-N 3.49Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 3.49Å; I7-F10 CarbonylContact O-C 3.55Å; I7-F10 WeakPolarHBondContact O-CA 3.43Å; I7-F10 VanDerWaalsContact O-CB 3.29Å; I7-F10 WeakPolarHBondContact O-CB 3.22Å; I7-F10 PolarHBondContact O-N 3.28Å; I7-N11 PolarHBondContact O-N 2.85Å; I7-N11 PolarHBondContact O-OD1 3.31Å
8Q79Confident75.8Confident39 Ų3938.3 Ų38.318%0.18219%0.189CC..Hα-helixtrans-63.8-39.7177.7-71.4179.4-22.900111Y2 G5 F10 N11 L12 F337Y2-Q8 PolarHBondContact OH-NE2 3.02Å; G5-Q8 PolarHBondContact O-N 3.4Å; G5-Q8 VanDerWaalsContact O-N 3.15Å; Q8-F10 VanDerWaalsContact C-N 3.28Å; Q8-F10 PolarHBondContact O-N 3.35Å; Q8-N11 PolarHBondContact O-N 2.98Å; Q8-L12 PolarHBondContact O-N 2.92Å; Q8-F337 HydrophobicContact CB-CE1 4.36Å; Q8-F337 HydrophobicContact CB-CZ 3.98Å
9L82.8Confident76.7Confident1 Ų136.3 Ų36.31%0.00518%0.179CC..Hα-helixtrans-64.7-34.8173.2-177.158.8000111.9G5 R6 I7 L12 F42 L45 F333 Y334 F337 Y387G5-L9 PolarHBondContact O-N 3.46Å; R6-L9 PolarHBondContact O-N 3.31Å; I7-L9 VanDerWaalsContact C-N 3.28Å; I7-L9 PolarHBondContact O-N 3.49Å; L9-L12 HydrophobicContact CD1-CD1 4.49Å; L9-L12 PolarHBondContact O-N 2.73Å; L9-F42 HydrophobicContact CG-CE1 4.37Å; L9-L45 HydrophobicContact CD2-CD1 4.01Å; L9-F333 HydrophobicContact CD1-CE1 4.18Å; L9-Y334 HydrophobicContact CD2-CD2 3.81Å; L9-F337 HydrophobicContact CB-CD1 4.11Å; L9-F337 HydrophobicContact CB-CE1 3.7Å; L9-F337 HydrophobicContact CB-CZ 3.98Å; L9-F337 HydrophobicContact CD1-CD1 4.37Å; L9-F337 HydrophobicContact CD1-CD2 4.16Å; L9-F337 HydrophobicContact CD1-CE1 4.5Å; L9-F337 HydrophobicContact CD1-CE2 4.3Å; L9-F337 HydrophobicContact CD1-CG 4.17Å; L9-F337 HydrophobicContact CD1-CZ 4.43Å; L9-Y387 HydrophobicContact CD1-CE1 3.93Å; L9-Y387 HydrophobicContact CD1-CE2 3.85Å; L9-Y387 VanDerWaalsContact CD1-CZ 3.48Å; L9-Y387 WeakPolarHBondContact CD1-OH 3.39Å; L9-Y387 HydrophobicContact CD2-CE2 4.43Å; L9-Y387 HydrophobicContact CG-CE2 4.18Å; L9-Y387 VanDerWaalsContact CG-OH 3.27Å; L9-Y387 WeakPolarHBondContact CG-OH 3.48Å; L9-Y387 PolarHBondContact O-OH 2.95Å
10F84Confident77.6Confident41 Ų4137.2 Ų37.218%0.1818%0.18CC..Hα-helixtrans-67.2-41.7175.4-177.3-94.6000112.3R6 I7 Q8 L12 L13 F42 F86 I91R6-F10 WeakPolarHBondContact O-CB 3.46Å; R6-F10 PolarHBondContact O-N 3.41Å; I7-F10 CarbonylContact O-C 3.55Å; I7-F10 WeakPolarHBondContact O-CA 3.43Å; I7-F10 VanDerWaalsContact O-CB 3.29Å; I7-F10 WeakPolarHBondContact O-CB 3.22Å; I7-F10 PolarHBondContact O-N 3.28Å; Q8-F10 VanDerWaalsContact C-N 3.28Å; Q8-F10 PolarHBondContact O-N 3.35Å; F10-L12 PolarHBondContact O-N 3.44Å; F10-L13 HydrophobicContact CD2-CD1 3.97Å; F10-L13 HydrophobicContact CE2-CD1 4.25Å; F10-L13 WeakPolarHBondContact O-CB 3.43Å; F10-L13 PolarHBondContact O-N 3.07Å; F10-F42 HydrophobicContact CD2-CD2 4.27Å; F10-F42 HydrophobicContact CD2-CE2 4.27Å; F10-F42 HydrophobicContact CD2-CZ 4.46Å; F10-F86 HydrophobicContact CB-CE1 3.74Å; F10-F86 HydrophobicContact CB-CZ 4.19Å; F10-F86 HydrophobicContact CD1-CE1 4.31Å; F10-F86 AromaticContact CD2-CD1 3.82Å; F10-F86 HydrophobicContact CD2-CD1 3.82Å; F10-F86 AromaticContact CD2-CE1 3.72Å; F10-F86 HydrophobicContact CD2-CE1 3.72Å; F10-F86 HydrophobicContact CE2-CD1 4.1Å; F10-F86 HydrophobicContact CE2-CE1 4.4Å; F10-F86 HydrophobicContact CG-CD1 4.18Å; F10-F86 AromaticContact CG-CE1 3.66Å; F10-F86 HydrophobicContact CG-CE1 3.66Å; F10-I91 HydrophobicContact CE2-CD1 4.49Å; F10-I91 HydrophobicContact CE2-CG1 3.91Å; F10-I91 HydrophobicContact CZ-CG1 4.16Å
11N82.5Confident78.4Confident71 Ų7135.4 Ų35.438%0.3817%0.172SC..Hα-helixtrans-62.6-25.9177-66.82.7000112.2I7 Q8 L13I7-N11 PolarHBondContact O-N 2.85Å; I7-N11 PolarHBondContact O-OD1 3.31Å; Q8-N11 PolarHBondContact O-N 2.98Å; N11-L13 PolarHBondContact O-N 3.21Å
12L81.3Confident80.8Confident29 Ų2927.6 Ų27.615%0.15214%0.139CC..THydrogen-bonded Turntrans-71.8-5172-66.4177.8000114.2Q8 L9 F10 N14 F337 L370 L374 Y387Q8-L12 PolarHBondContact O-N 2.92Å; L9-L12 HydrophobicContact CD1-CD1 4.49Å; L9-L12 PolarHBondContact O-N 2.73Å; F10-L12 PolarHBondContact O-N 3.44Å; L12-N14 PolarHBondContact O-N 3.36Å; L12-N14 VanDerWaalsContact O-N 3.16Å; L12-F337 HydrophobicContact CD1-CD2 4.27Å; L12-F337 HydrophobicContact CD1-CE2 3.49Å; L12-F337 VanDerWaalsContact CD1-CE2 3.49Å; L12-F337 HydrophobicContact CD1-CZ 4.18Å; L12-L370 HydrophobicContact CD1-CD2 4.03Å; L12-L370 HydrophobicContact CD1-CG 4.33Å; L12-L370 HydrophobicContact CD2-CB 4.47Å; L12-L370 HydrophobicContact CD2-CD2 4.25Å; L12-L374 HydrophobicContact CD1-CD1 3.97Å; L12-Y387 HydrophobicContact CB-CE1 4.13Å
13L81.1Confident82.9Confident3 Ų327.7 Ų27.72%0.01615%0.15CC..  trans-80.430.4173.9-69.8177.9000113.7F10 N11 F42 I111 V386 Y387F10-L13 HydrophobicContact CD2-CD1 3.97Å; F10-L13 HydrophobicContact CE2-CD1 4.25Å; F10-L13 WeakPolarHBondContact O-CB 3.43Å; F10-L13 PolarHBondContact O-N 3.07Å; N11-L13 PolarHBondContact O-N 3.21Å; L13-F42 HydrophobicContact CD1-CD2 4.43Å; L13-F42 HydrophobicContact CD1-CE1 4.25Å; L13-F42 HydrophobicContact CD1-CE2 3.26Å; L13-F42 HydrophobicContact CD1-CZ 3.15Å; L13-F42 HydrophobicContact CD2-CZ 4.26Å; L13-F42 HydrophobicContact CG-CE2 4.43Å; L13-F42 HydrophobicContact CG-CZ 3.9Å; L13-I111 HydrophobicContact CB-CG2 4.29Å; L13-I111 VanDerWaalsContact O-CB 3.31Å; L13-I111 WeakPolarHBondContact O-CB 3.31Å; L13-I111 WeakPolarHBondContact O-CG2 3.46Å; L13-V386 HydrophobicContact CD2-CG1 3.86Å; L13-Y387 HydrophobicContact CD2-CD1 4.14Å; L13-Y387 HydrophobicContact CD2-CE1 3.45Å; L13-Y387 VanDerWaalsContact CD2-CE1 3.45Å; L13-Y387 HydrophobicContact CD2-CE2 4.28Å; L13-Y387 HydrophobicContact CG-CE1 3.95Å; L13-Y387 WeakPolarHBondContact CG-OH 3.28Å
14N83.1Confident84.7Confident50 Ų5027.4 Ų27.427%0.26716%0.164SC..  trans-93.8126.7175.3-67.7-7.9000110.2L12 G112 D114L12-N14 PolarHBondContact O-N 3.36Å; L12-N14 VanDerWaalsContact O-N 3.16Å; N14-G112 WeakPolarHBondContact OD1-CA 3.49Å; N14-D114 PolarHBondContact ND2-OD2 3.38Å
15G85.2Confident86.2Confident0 Ų028.6 Ų28.60%017%0.17CC..EExtended strand (participates in β ladder)trans142-150.417400000114.4I111G15-I111 PolarHBondContact N-O 3.3Å; G15-I111 PolarHBondContact O-N 2.91Å
16I89.1Confident87.2Confident0 Ų030 Ų300%018%0.178CC..EExtended strand (participates in β ladder)trans-102.8124.7-173.8-60.5169.3000110V108 Y109 Y119 F123 I315 C393 N394 C397I16-V108 HydrophobicContact CG2-CG1 3.34Å; I16-Y109 CarbonylContact C-O 3.53Å; I16-Y109 WeakPolarHBondContact CA-O 3.41Å; I16-Y119 HydrophobicContact CD1-CD1 4.37Å; I16-F123 HydrophobicContact CD1-CD2 3.87Å; I16-F123 HydrophobicContact CD1-CE2 4.45Å; I16-F123 HydrophobicContact CG2-CE2 4.48Å; I16-I315 HydrophobicContact CG2-CD1 4.15Å; I16-C393 HydrophobicContact CB-CB 4.29Å; I16-C393 HydrophobicContact CG2-CB 4.21Å; I16-C393 VanDerWaalsContact O-CB 3.24Å; I16-C393 WeakPolarHBondContact O-CB 3.26Å; I16-N394 PolarHBondContact N-OD1 3.12Å; I16-C397 HydrophobicContact CD1-CB 3.88Å; I16-C397 WeakPolarHBondContact CD1-SG 3.41Å
17L91.3Very high87.8Confident0 Ų029.9 Ų29.90%018%0.18CC..EExtended strand (participates in β ladder)trans-110.7136.8174.9-17876.7000111V19 V34 V108 Y109 I111 L321 V386 N389L17-V19 HydrophobicContact CD2-CG2 3.52Å; L17-V19 HydrophobicContact CG-CG2 3.94Å; L17-V34 HydrophobicContact CD2-CG1 4.48Å; L17-V108 CarbonylContact O-C 3.55Å; L17-V108 WeakPolarHBondContact O-CA 3.19Å; L17-Y109 PolarHBondContact N-O 2.96Å; L17-Y109 PolarHBondContact O-N 3.47Å; L17-I111 HydrophobicContact CB-CD1 3.45Å; L17-I111 VanDerWaalsContact CB-CD1 3.45Å; L17-I111 HydrophobicContact CB-CG1 3.63Å; L17-I111 HydrophobicContact CD1-CD1 4.23Å; L17-I111 HydrophobicContact CD2-CD1 3.58Å; L17-I111 HydrophobicContact CD2-CG1 4.37Å; L17-I111 HydrophobicContact CG-CD1 3.89Å; L17-L321 HydrophobicContact CD1-CD1 3.71Å; L17-V386 HydrophobicContact CD1-CG1 3.98Å; L17-N389 HydrophobicContact CD1-CB 4.38Å
18C92Very high88.4Confident0 Ų032.8 Ų32.80%019%0.192CC..EExtended strand (participates in β ladder)trans-110.4123.1173.9-177.40000111.5V106 I315 N319 S320 L321 N389C18-V106 WeakPolarHBondContact SG-CG1 3.48Å; C18-I315 HydrophobicContact CB-CG2 3.83Å; C18-I315 WeakPolarHBondContact SG-CG2 3.48Å; C18-N319 WeakPolarHBondContact CB-O 3.31Å; C18-S320 VanDerWaalsContact SG-CA 3.52Å; C18-S320 WeakPolarHBondContact SG-CB 3.42Å; C18-L321 PolarHBondContact O-N 2.91Å; C18-N389 PolarHBondContact N-OD1 3.36Å
19V93.9Very high89.1Confident0 Ų036.5 Ų36.50%021%0.208CC..EExtended strand (participates in β ladder)trans-125.3137.8-179.7-1790000110.7L17 K21 L30 V34 Q107 Y109 L321 L326L17-V19 HydrophobicContact CD2-CG2 3.52Å; L17-V19 HydrophobicContact CG-CG2 3.94Å; V19-K21 PolarHBondContact O-N 2.78Å; V19-L30 HydrophobicContact CG1-CD1 4.48Å; V19-L30 HydrophobicContact CG1-CD2 4.15Å; V19-V34 HydrophobicContact CG1-CG2 4.34Å; V19-Q107 PolarHBondContact N-O 3Å; V19-Q107 WeakPolarHBondContact O-CA 3.41Å; V19-Q107 WeakPolarHBondContact O-CB 3.46Å; V19-Q107 PolarHBondContact O-N 3.31Å; V19-Q107 VanDerWaalsContact O-O 3.12Å; V19-Y109 HydrophobicContact CB-CD2 4.17Å; V19-Y109 HydrophobicContact CB-CE2 4.08Å; V19-Y109 HydrophobicContact CG2-CD2 4.02Å; V19-Y109 HydrophobicContact CG2-CE2 4.3Å; V19-L321 CarbonylContact C-O 3.52Å; V19-L321 VanDerWaalsContact CA-O 3.3Å; V19-L321 WeakPolarHBondContact CA-O 3.2Å; V19-L321 WeakPolarHBondContact CG1-O 3.44Å; V19-L326 HydrophobicContact CG1-CD1 4.47Å; V19-L326 HydrophobicContact CG2-CD1 4.5Å
20Y94.2Very high89.5Confident53 Ų5336.5 Ų36.521%0.20821%0.208CC..EExtended strand (participates in β ladder)trans-80.1118.5174.1-168.1-89.8000111.5R308 L321Y20-R308 PolarHBondContact OH-NE 3.45Å; Y20-R308 VanDerWaalsContact OH-NE 3.16Å; Y20-L321 PolarHBondContact N-O 2.77Å
21K94.6Very high90Very high0 Ų035.5 Ų35.50%021%0.205CC..EExtended strand (participates in β ladder)trans-88.2126.5174.8-177.1-172.7-178.5-1640111.4V19 L25 V27 L30 L99 S100 S104 G105 Q107V19-K21 PolarHBondContact O-N 2.78Å; K21-L25 WeakPolarHBondContact CE-O 3.38Å; K21-L25 PolarHBondContact NZ-O 2.84Å; K21-L25 VanDerWaalsContact NZ-O 3.16Å; K21-V27 HydrophobicContact CD-CG2 4.33Å; K21-L30 HydrophobicContact CB-CD1 4.11Å; K21-L30 HydrophobicContact CG-CD1 4.13Å; K21-L99 HydrophobicContact CB-CD1 4.42Å; K21-L99 HydrophobicContact CD-CB 3.8Å; K21-L99 HydrophobicContact CD-CD1 4.07Å; K21-L99 PolarHBondContact NZ-O 2.69Å; K21-S100 PolarHBondContact NZ-O 3.43Å; K21-S104 WeakPolarHBondContact O-CA 3.35Å; K21-S104 WeakPolarHBondContact O-CB 3.15Å; K21-G105 WeakPolarHBondContact CB-O 3.32Å; K21-G105 PolarHBondContact N-O 3.42Å; K21-G105 PolarHBondContact O-N 3.37Å; K21-Q107 HydrophobicContact CB-CB 4.25Å
22S93.3Very high90.5Very high53 Ų5338.7 Ų38.737%0.37121%0.212SC..PPolyproline II helixtrans-76.7151.8171.254.40000112.3
23P91.5Very high91.1Very high87 Ų8740.4 Ų40.457%0.56522%0.221SC*.THydrogen-bonded Turntrans-67.4144.817628.5-33.5000111.2L25P23-L25 VanDerWaalsContact C-N 3.26Å; P23-L25 PolarHBondContact O-N 2.95Å
24G90.6Very high91.7Very high66 Ų6640.2 Ų40.268%0.6822%0.22SC*.THydrogen-bonded Turntrans79.70.9179.800000114.7D101G24-D101 VanDerWaalsContact CA-O 3.24Å; G24-D101 WeakPolarHBondContact CA-O 3.44Å; G24-D101 PolarHBondContact N-O 2.63Å
25L91.8Very high92.2Very high25 Ų2540.1 Ų40.113%0.13122%0.217CC..  trans-97.5125.8176.2-173.267.3000109.9K21 P23 K29 L30K21-L25 WeakPolarHBondContact CE-O 3.38Å; K21-L25 PolarHBondContact NZ-O 2.84Å; K21-L25 VanDerWaalsContact NZ-O 3.16Å; P23-L25 VanDerWaalsContact C-N 3.26Å; P23-L25 PolarHBondContact O-N 2.95Å; L25-K29 HydrophobicContact CD1-CB 4Å; L25-K29 HydrophobicContact CD1-CD 3.72Å; L25-K29 HydrophobicContact CD1-CG 3.82Å; L25-L30 HydrophobicContact CD2-CB 3.77Å; L25-L30 HydrophobicContact CD2-CD1 3.65Å; L25-L30 HydrophobicContact CD2-CG 4.17Å; L25-L30 HydrophobicContact CG-CB 4.3Å
26S92.1Very high92.5Very high34 Ų3442.9 Ų42.924%0.23824%0.236CC..  trans-67144.1172.561.60000111.5E28 K29 L30 D101S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 3.14Å; S26-K29 PolarHBondContact O-N 3Å; S26-K29 VanDerWaalsContact O-N 3.07Å; S26-K29 WeakPolarHBondContact OG-CB 3.16Å; S26-K29 PolarHBondContact OG-N 2.8Å; S26-L30 PolarHBondContact O-N 3.19Å; S26-D101 VanDerWaalsContact CA-OD1 3.27Å; S26-D101 WeakPolarHBondContact CA-OD1 3.3Å
27V90.5Very high92.7Very high18 Ų1843 Ų4311%0.10924%0.237CC..Hα-helixtrans-58.1-40.2178.6179.10000111K21 K29 L30 T31 P95 L99K21-V27 HydrophobicContact CD-CG2 4.33Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 3.21Å; V27-L30 CarbonylContact O-C 3.58Å; V27-L30 WeakPolarHBondContact O-CB 3.39Å; V27-L30 PolarHBondContact O-N 3.35Å; V27-L30 VanDerWaalsContact O-N 3.13Å; V27-T31 HydrophobicContact CG1-CG2 4.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.46Å; V27-T31 PolarHBondContact O-N 2.99Å; V27-T31 PolarHBondContact O-OG1 2.99Å; V27-P95 HydrophobicContact CG1-CB 3.84Å; V27-P95 HydrophobicContact CG1-CG 4.11Å; V27-L99 WeakPolarHBondContact CG2-O 2.87Å
28E92.1Very high92.7Very high119 Ų11943 Ų4356%0.55624%0.237SC*.Hα-helixtrans-63.4-35.7177.4-54.4-178.8-170.800113.7S26 T31 R32S26-E28 VanDerWaalsContact C-N 3.25Å; S26-E28 PolarHBondContact O-N 3.14Å; E28-T31 VanDerWaalsContact CA-OG1 3.32Å; E28-T31 WeakPolarHBondContact CA-OG1 3.18Å; E28-T31 PolarHBondContact O-OG1 3.19Å; E28-R32 VanDerWaalsContact CB-NH1 3.25Å; E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 WeakPolarHBondContact O-CG 3.21Å; E28-R32 PolarHBondContact O-N 3.27Å; E28-R32 VanDerWaalsContact O-N 3.08Å; E28-R32 PolarHBondContact O-NH1 2.95Å; E28-R32 IonicContact OE2-CZ 3.62Å; E28-R32 IonicContact OE2-NH1 3.27Å; E28-R32 PolarHBondContact OE2-NH1 2.94Å; E28-R32 IonicContact OE2-NH2 3.02Å; E28-R32 PolarHBondContact OE2-NH2 2.96Å
29K93.4Very high92.6Very high116 Ų11643.1 Ų43.150%0.50424%0.238SC..Hα-helixtrans-72-36.9175.3-172171175.2178.40110.4L25 S26 V27 N33L25-K29 HydrophobicContact CD1-CB 4Å; L25-K29 HydrophobicContact CD1-CD 3.72Å; L25-K29 HydrophobicContact CD1-CG 3.82Å; S26-K29 PolarHBondContact O-N 3Å; S26-K29 VanDerWaalsContact O-N 3.07Å; S26-K29 WeakPolarHBondContact OG-CB 3.16Å; S26-K29 PolarHBondContact OG-N 2.8Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 3.21Å; K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 PolarHBondContact O-N 3.07Å; K29-N33 PolarHBondContact O-ND2 3.38Å; K29-N33 PolarHBondContact O-OD1 3.44Å
30L93.1Very high92.5Very high1 Ų147.2 Ų47.21%0.00526%0.26CS..Hα-helixtrans-64.1-46.2173.5-172.2132.1000111.1V19 K21 L25 S26 V27 R32 N33 V34 Y109V19-L30 HydrophobicContact CG1-CD1 4.48Å; V19-L30 HydrophobicContact CG1-CD2 4.15Å; K21-L30 HydrophobicContact CB-CD1 4.11Å; K21-L30 HydrophobicContact CG-CD1 4.13Å; L25-L30 HydrophobicContact CD2-CB 3.77Å; L25-L30 HydrophobicContact CD2-CD1 3.65Å; L25-L30 HydrophobicContact CD2-CG 4.17Å; L25-L30 HydrophobicContact CG-CB 4.3Å; S26-L30 PolarHBondContact O-N 3.19Å; V27-L30 CarbonylContact O-C 3.58Å; V27-L30 WeakPolarHBondContact O-CB 3.39Å; V27-L30 PolarHBondContact O-N 3.35Å; V27-L30 VanDerWaalsContact O-N 3.13Å; L30-R32 PolarHBondContact O-N 2.86Å; L30-N33 PolarHBondContact O-N 3.05Å; L30-N33 VanDerWaalsContact O-N 3.16Å; L30-V34 HydrophobicContact CD2-CG2 3.97Å; L30-V34 HydrophobicContact CG-CG2 4.27Å; L30-V34 VanDerWaalsContact O-CG2 3.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.15Å; L30-V34 PolarHBondContact O-N 2.84Å; L30-Y109 HydrophobicContact CD2-CE2 3.58Å; L30-Y109 WeakPolarHBondContact CD2-OH 3.48Å
31T93Very high92.3Very high20 Ų2044.7 Ų44.712%0.12325%0.25CS..Hα-helixtrans-59.9-46.1177540000111.8V27 E28 N33 V34 K35 Y109V27-T31 HydrophobicContact CG1-CG2 4.34Å; V27-T31 WeakPolarHBondContact O-CG2 3.46Å; V27-T31 PolarHBondContact O-N 2.99Å; V27-T31 PolarHBondContact O-OG1 2.99Å; E28-T31 VanDerWaalsContact CA-OG1 3.32Å; E28-T31 WeakPolarHBondContact CA-OG1 3.18Å; E28-T31 PolarHBondContact O-OG1 3.19Å; T31-N33 VanDerWaalsContact C-N 3.32Å; T31-N33 PolarHBondContact O-N 3.43Å; T31-V34 PolarHBondContact O-N 3.15Å; T31-K35 WeakPolarHBondContact O-CG 2.83Å; T31-K35 PolarHBondContact O-N 2.82Å; T31-Y109 HydrophobicContact CG2-CD1 4.4Å; T31-Y109 HydrophobicContact CG2-CE1 3.39Å
32R93.6Very high92Very high138 Ų13844.8 Ų44.852%0.52125%0.25SS..Hα-helixtrans-56.8-45.8174.1-72175.6-166.7109.40.2111.5E28 L30 K35 C36E28-R32 VanDerWaalsContact CB-NH1 3.25Å; E28-R32 WeakPolarHBondContact O-CB 3.41Å; E28-R32 WeakPolarHBondContact O-CG 3.21Å; E28-R32 PolarHBondContact O-N 3.27Å; E28-R32 VanDerWaalsContact O-N 3.08Å; E28-R32 PolarHBondContact O-NH1 2.95Å; E28-R32 IonicContact OE2-CZ 3.62Å; E28-R32 IonicContact OE2-NH1 3.27Å; E28-R32 PolarHBondContact OE2-NH1 2.94Å; E28-R32 IonicContact OE2-NH2 3.02Å; E28-R32 PolarHBondContact OE2-NH2 2.96Å; L30-R32 PolarHBondContact O-N 2.86Å; R32-K35 PolarHBondContact O-N 2.88Å; R32-C36 WeakPolarHBondContact O-CB 3.42Å; R32-C36 PolarHBondContact O-N 3.14Å; R32-C36 PolarHBondContact O-SG 3.39Å
33N93.6Very high91.8Very high65 Ų6543.9 Ų43.935%0.34824%0.242SC..Hα-helixtrans-64.9-40.4178.7-69-10.7000112.5K29 L30 T31 S37 M323K29-N33 WeakPolarHBondContact O-CB 3.48Å; K29-N33 PolarHBondContact O-N 3.07Å; K29-N33 PolarHBondContact O-ND2 3.38Å; K29-N33 PolarHBondContact O-OD1 3.44Å; L30-N33 PolarHBondContact O-N 3.05Å; L30-N33 VanDerWaalsContact O-N 3.16Å; T31-N33 VanDerWaalsContact C-N 3.32Å; T31-N33 PolarHBondContact O-N 3.43Å; N33-S37 VanDerWaalsContact O-CB 3.25Å; N33-S37 WeakPolarHBondContact O-CB 3.46Å; N33-S37 PolarHBondContact O-N 3.11Å; N33-M323 HydrophobicContact CB-CE 3.69Å
34V93.4Very high91.6Very high0 Ų043 Ų430%024%0.238CC..Hα-helixtrans-63.5-47.6177172.90000110.1L17 V19 L30 T31 C36 S37 L38 L93 M323 L326L17-V34 HydrophobicContact CD2-CG1 4.48Å; V19-V34 HydrophobicContact CG1-CG2 4.34Å; L30-V34 HydrophobicContact CD2-CG2 3.97Å; L30-V34 HydrophobicContact CG-CG2 4.27Å; L30-V34 VanDerWaalsContact O-CG2 3.22Å; L30-V34 WeakPolarHBondContact O-CG2 3.15Å; L30-V34 PolarHBondContact O-N 2.84Å; T31-V34 PolarHBondContact O-N 3.15Å; V34-C36 PolarHBondContact O-N 3.32Å; V34-S37 PolarHBondContact O-N 3.31Å; V34-L38 HydrophobicContact CG1-CD1 3.87Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.5Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.24Å; V34-L93 HydrophobicContact CB-CD1 4.04Å; V34-L93 HydrophobicContact CG1-CD1 3.57Å; V34-M323 HydrophobicContact CG2-CE 4.37Å; V34-M323 HydrophobicContact CG2-SD 3.92Å; V34-L326 HydrophobicContact CB-CD1 4.22Å; V34-L326 HydrophobicContact CG1-CD1 3.98Å; V34-L326 HydrophobicContact CG2-CD1 3.71Å
35K93.2Very high91.3Very high47 Ų4740.1 Ų40.120%0.20421%0.207CC..Hα-helixtrans-57.9-48.7176.3-70179.4176.1-135.90112T31 R32 S37 L38 A39 P88 I91 L93T31-K35 WeakPolarHBondContact O-CG 2.83Å; T31-K35 PolarHBondContact O-N 2.82Å; R32-K35 PolarHBondContact O-N 2.88Å; K35-S37 PolarHBondContact O-N 3.23Å; K35-L38 PolarHBondContact O-N 2.79Å; K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 3.38Å; K35-P88 HydrophobicContact CB-CB 3.99Å; K35-P88 WeakPolarHBondContact CD-O 3.46Å; K35-I91 WeakPolarHBondContact CE-O 3.49Å; K35-I91 HydrophobicContact CG-CB 4.36Å; K35-I91 PolarHBondContact NZ-O 3.48Å; K35-L93 HydrophobicContact CD-CD1 4.49Å; K35-L93 HydrophobicContact CG-CD1 3.56Å; K35-L93 HydrophobicContact CG-CG 4.15Å
36C93.1Very high90.8Very high58 Ų5841.1 Ų41.139%0.39222%0.215SC..Hα-helixtrans-62.3-42.5177.6-70.10000112.3R32 V34 N40R32-C36 WeakPolarHBondContact O-CB 3.42Å; R32-C36 PolarHBondContact O-N 3.14Å; R32-C36 PolarHBondContact O-SG 3.39Å; V34-C36 PolarHBondContact O-N 3.32Å; C36-N40 WeakPolarHBondContact O-CB 3.29Å; C36-N40 PolarHBondContact O-N 3.15Å; C36-N40 PolarHBondContact O-ND2 3.32Å; C36-N40 VanDerWaalsContact O-ND2 3.16Å
37S92.2Very high89.8Confident4 Ų442 Ų423%0.02822%0.224CC..Hα-helixtrans-63.3-47.6179.3-172.40000111.5N33 V34 K35 N40 A41 L326 H327N33-S37 VanDerWaalsContact O-CB 3.25Å; N33-S37 WeakPolarHBondContact O-CB 3.46Å; N33-S37 PolarHBondContact O-N 3.11Å; V34-S37 PolarHBondContact O-N 3.31Å; K35-S37 PolarHBondContact O-N 3.23Å; S37-N40 PolarHBondContact O-N 3.37Å; S37-A41 WeakPolarHBondContact O-CB 3.3Å; S37-A41 PolarHBondContact O-N 2.8Å; S37-L326 WeakPolarHBondContact OG-CB 3.38Å; S37-L326 PolarHBondContact OG-O 3.48Å; S37-H327 WeakPolarHBondContact OG-CA 3.32Å; S37-H327 PolarHBondContact OG-N 2.98Å
38L91.1Very high88.9Confident0 Ų044.7 Ų44.70%024%0.235CC..Hα-helixtrans-64.4-46.5178.4-72.5173.4000111.4V34 K35 N40 A41 F42 I91 L326 V386V34-L38 HydrophobicContact CG1-CD1 3.87Å; V34-L38 HydrophobicContact CG1-CG 4.4Å; V34-L38 WeakPolarHBondContact O-CB 3.5Å; V34-L38 WeakPolarHBondContact O-CG 3.41Å; V34-L38 PolarHBondContact O-N 3.24Å; K35-L38 PolarHBondContact O-N 2.79Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 3.39Å; L38-A41 WeakPolarHBondContact O-CB 3.27Å; L38-A41 PolarHBondContact O-N 3.01Å; L38-F42 HydrophobicContact CB-CE2 4.49Å; L38-F42 WeakPolarHBondContact O-CD2 3.13Å; L38-F42 PolarHBondContact O-N 2.73Å; L38-I91 HydrophobicContact CB-CD1 3.43Å; L38-I91 VanDerWaalsContact CB-CD1 3.43Å; L38-I91 HydrophobicContact CD1-CD1 4.37Å; L38-I91 HydrophobicContact CD1-CG2 4.22Å; L38-L326 HydrophobicContact CD2-CD2 4.27Å; L38-V386 HydrophobicContact CD2-CG1 4.23Å; L38-V386 HydrophobicContact CD2-CG2 3.81Å
39A90.9Very high87.7Confident2 Ų247.1 Ų47.12%0.01724%0.244CC..Hα-helixtrans-58.8-42.417800000111.7K35 N43 P88 I91K35-A39 WeakPolarHBondContact O-CB 3.24Å; K35-A39 PolarHBondContact O-N 3.38Å; A39-N43 WeakPolarHBondContact O-CB 3.44Å; A39-N43 PolarHBondContact O-N 3.24Å; A39-N43 PolarHBondContact O-ND2 2.89Å; A39-P88 HydrophobicContact CB-CB 4.47Å; A39-I91 HydrophobicContact CB-CD1 4.23Å
40N91.6Very high86.4Confident85 Ų8545.7 Ų45.746%0.45524%0.239SC..Hα-helixtrans-65.1-39.7174.8-69.1-25.2000112C36 S37 L38 N43 S44C36-N40 WeakPolarHBondContact O-CB 3.29Å; C36-N40 PolarHBondContact O-N 3.15Å; C36-N40 PolarHBondContact O-ND2 3.32Å; C36-N40 VanDerWaalsContact O-ND2 3.16Å; S37-N40 PolarHBondContact O-N 3.37Å; L38-N40 VanDerWaalsContact C-N 3.3Å; L38-N40 PolarHBondContact O-N 3.39Å; N40-N43 PolarHBondContact O-N 3.18Å; N40-S44 WeakPolarHBondContact O-CB 3.2Å; N40-S44 PolarHBondContact O-N 3.4Å
41A89.5Confident85.3Confident1 Ų147.8 Ų47.81%0.00825%0.254CS..Hα-helixtrans-60.5-47.2176.900000111.8S37 L38 S44 H327 I329S37-A41 WeakPolarHBondContact O-CB 3.3Å; S37-A41 PolarHBondContact O-N 2.8Å; L38-A41 WeakPolarHBondContact O-CB 3.27Å; L38-A41 PolarHBondContact O-N 3.01Å; A41-S44 PolarHBondContact O-N 3.15Å; A41-S44 PolarHBondContact O-OG 3.07Å; A41-H327 VanDerWaalsContact CB-O 3.31Å; A41-H327 WeakPolarHBondContact CB-O 3.39Å; A41-I329 HydrophobicContact CB-CD1 4.24Å; A41-I329 HydrophobicContact CB-CG1 4.21Å
42F88.3Confident84.4Confident1 Ų152.6 Ų52.60%0.00428%0.278CS..Hα-helixtrans-67.2-37.4177.3-76.3-72.3000113.2L9 F10 L13 L38 S44 L45 F86 I329 Y387L9-F42 HydrophobicContact CG-CE1 4.37Å; F10-F42 HydrophobicContact CD2-CD2 4.27Å; F10-F42 HydrophobicContact CD2-CE2 4.27Å; F10-F42 HydrophobicContact CD2-CZ 4.46Å; L13-F42 HydrophobicContact CD1-CD2 4.43Å; L13-F42 HydrophobicContact CD1-CE1 4.25Å; L13-F42 HydrophobicContact CD1-CE2 3.26Å; L13-F42 HydrophobicContact CD1-CZ 3.15Å; L13-F42 HydrophobicContact CD2-CZ 4.26Å; L13-F42 HydrophobicContact CG-CE2 4.43Å; L13-F42 HydrophobicContact CG-CZ 3.9Å; L38-F42 HydrophobicContact CB-CE2 4.49Å; L38-F42 WeakPolarHBondContact O-CD2 3.13Å; L38-F42 PolarHBondContact O-N 2.73Å; F42-S44 PolarHBondContact O-N 3.18Å; F42-L45 HydrophobicContact CD1-CD1 3.92Å; F42-L45 HydrophobicContact CE1-CD1 4.47Å; F42-L45 WeakPolarHBondContact O-CB 3.48Å; F42-L45 PolarHBondContact O-N 3.35Å; F42-F86 HydrophobicContact CB-CB 4.29Å; F42-F86 HydrophobicContact CB-CD2 3.49Å; F42-F86 VanDerWaalsContact CB-CD2 3.49Å; F42-F86 HydrophobicContact CB-CE2 3.89Å; F42-F86 HydrophobicContact CB-CG 3.86Å; F42-F86 HydrophobicContact CG-CD2 4.47Å; F42-I329 HydrophobicContact CD1-CD1 3.97Å; F42-I329 HydrophobicContact CD2-CD1 4.41Å; F42-I329 HydrophobicContact CE1-CD1 3.57Å; F42-I329 HydrophobicContact CE2-CD1 4.02Å; F42-I329 HydrophobicContact CG-CD1 4.34Å; F42-I329 HydrophobicContact CZ-CD1 3.55Å; F42-Y387 VanDerWaalsContact CE1-OH 3.3Å; F42-Y387 WeakPolarHBondContact CE1-OH 3.46Å; F42-Y387 VanDerWaalsContact CZ-OH 3.24Å; F42-Y387 WeakPolarHBondContact CZ-OH 3.07Å
43N88.2Confident83.4Confident35 Ų3553.1 Ų53.119%0.18728%0.28CS..Hα-helixtrans-67.5-22.5176.1-72.5-42.4000112.8A39 N40 R85 F86A39-N43 WeakPolarHBondContact O-CB 3.44Å; A39-N43 PolarHBondContact O-N 3.24Å; A39-N43 PolarHBondContact O-ND2 2.89Å; N40-N43 PolarHBondContact O-N 3.18Å; N43-R85 PolarHBondContact OD1-N 3.14Å; N43-F86 PolarHBondContact ND2-O 3.45Å; N43-F86 PolarHBondContact OD1-N 3.03Å
44S87.8Confident82.6Confident69 Ų6954.3 Ų54.348%0.48329%0.289SS..THydrogen-bonded Turntrans-81.2-13.3178.377.70000114.7N40 A41 F42N40-S44 WeakPolarHBondContact O-CB 3.2Å; N40-S44 PolarHBondContact O-N 3.4Å; A41-S44 PolarHBondContact O-N 3.15Å; A41-S44 PolarHBondContact O-OG 3.07Å; F42-S44 PolarHBondContact O-N 3.18Å
45L85.4Confident81.6Confident5 Ų556.6 Ų56.63%0.02630%0.303CS..SBendtrans-66.2166.9177.4-68.7174.9000111.4R6 L9 F42 I329 Y334R6-L45 HydrophobicContact CG-CB 4.24Å; R6-L45 PolarHBondContact NE-O 3.29Å; R6-L45 PolarHBondContact NH2-O 2.86Å; L9-L45 HydrophobicContact CD2-CD1 4.01Å; F42-L45 HydrophobicContact CD1-CD1 3.92Å; F42-L45 HydrophobicContact CE1-CD1 4.47Å; F42-L45 WeakPolarHBondContact O-CB 3.48Å; F42-L45 PolarHBondContact O-N 3.35Å; L45-I329 HydrophobicContact CD1-CD1 4.39Å; L45-I329 HydrophobicContact CD2-CB 4.26Å; L45-I329 HydrophobicContact CD2-CG2 4.27Å; L45-Y334 HydrophobicContact CD1-CD2 4.31Å; L45-Y334 HydrophobicContact CD2-CG 4.36Å
46P81.2Confident80.8Confident46 Ų4659.5 Ų59.530%0.29932%0.32SS..PPolyproline II helixtrans-64.4138.4174.7-21.433.5000112.5R6 I331 Y334R6-P46 PolarHBondContact NE-O 3.09Å; R6-P46 PolarHBondContact NH2-O 3.39Å; P46-I331 HydrophobicContact CG-CG2 4.16Å; P46-Y334 HydrophobicContact CB-CE1 4.13Å; P46-Y334 HydrophobicContact CG-CD1 3.88Å; P46-Y334 HydrophobicContact CG-CE1 3.99Å
47A71.4Confident79.6Confident53 Ų5361.2 Ų61.244%0.43832%0.322SS..PPolyproline II helixtrans-72.5149.3-176.700000112.3
48E69.7Low78.3Confident73 Ų7366.7 Ų66.734%0.34136%0.356SS..PPolyproline II helixtrans-65.5152.7170.9-72169.4-147.300110G5 R6 Q50G5-E48 WeakPolarHBondContact CA-OE1 3.27Å; R6-E48 PolarHBondContact N-OE1 3.24Å; E48-Q50 PolarHBondContact O-N 3.38Å
49K67.7Low76.9Confident170 Ų17069.2 Ų69.274%0.73937%0.373SS*.PPolyproline II helixtrans-72.2128.3172.9-69.2-177.5179179.30107.6S51K49-S51 PolarHBondContact O-N 2.86Å
50Q65.6Low75.4Confident86 Ų8674.7 Ų74.740%0.40241%0.412SS..PPolyproline II helixtrans-52.3135.3173.9-70.8170.5-5.800109.7E48E48-Q50 PolarHBondContact O-N 3.38Å
51S69.7Low73.8Confident46 Ų4676.3 Ų76.332%0.32242%0.42SS..PPolyproline II helixtrans-58.814617256.40000109.3K49 D74 D77K49-S51 PolarHBondContact O-N 2.86Å; S51-D74 VanDerWaalsContact O-CB 3.28Å; S51-D74 WeakPolarHBondContact O-CB 3.25Å; S51-D74 PolarHBondContact O-N 3.01Å; S51-D74 VanDerWaalsContact OG-CB 3.26Å; S51-D74 WeakPolarHBondContact OG-CB 3.11Å; S51-D77 WeakPolarHBondContact CB-OD2 3.22Å; S51-D77 PolarHBondContact OG-OD2 3.06Å
52I75.2Confident72.4Confident121 Ų12183.1 Ų83.162%0.62146%0.461SS*.EExtended strand (participates in β ladder)trans-98.8117.5-179.4-59.7172.6000107.2T71I52-T71 HydrophobicContact CG2-CG2 4Å
53R73.3Confident71Confident149 Ų14990.3 Ų90.356%0.56250%0.5SS*.EExtended strand (participates in β ladder)trans-89124.6172.3-172.7173.1177.2170.70.1109.3T55 E72 D74R53-T55 PolarHBondContact O-N 3.39Å; R53-E72 PolarHBondContact N-O 3.11Å; R53-E72 PolarHBondContact O-N 2.95Å; R53-D74 HydrophobicContact CB-CB 4.08Å
54T75.8Confident69.4Low89 Ų8992.8 Ų92.855%0.54652%0.519SS..EExtended strand (participates in β ladder)trans-88.7106171.447.20000108.9I69 I70 T71T54-I69 HydrophobicContact CG2-CG2 4.09Å; T54-I70 WeakPolarHBondContact CA-O 3.41Å; T54-T71 HydrophobicContact CG2-CG2 3.85Å
55T73.1Confident68.3Low48 Ų4896.4 Ų96.429%0.29454%0.538SS..EExtended strand (participates in β ladder)trans-96.1125.3173-56.70000108.4R53 Q57 I70R53-T55 PolarHBondContact O-N 3.39Å; T55-Q57 PolarHBondContact O-N 3.34Å; T55-I70 PolarHBondContact N-O 3.45Å; T55-I70 PolarHBondContact O-N 2.98Å
56I76.4Confident67.2Low109 Ų109104.1 Ų104.156%0.55957%0.574SS**EExtended strand (participates in β ladder)trans-83.9104.3174.6-54.9176.5000107.2T58 P67I56-T58 PolarHBondContact O-N 3.02Å; I56-P67 HydrophobicContact CG2-CB 3.45Å; I56-P67 VanDerWaalsContact CG2-CB 3.45Å
57Q67Low66.6Low94 Ų94105.9 Ų105.944%0.43959%0.586SS.*EExtended strand (participates in β ladder)trans-85113.1171.2-69.7-174.46.100108.6T55 S59 K68 I70T55-Q57 PolarHBondContact O-N 3.34Å; Q57-S59 PolarHBondContact O-N 3.13Å; Q57-K68 PolarHBondContact N-O 3.37Å; Q57-K68 VanDerWaalsContact N-O 3.09Å; Q57-K68 PolarHBondContact O-N 3.45Å; Q57-I70 HydrophobicContact CB-CD1 4.1Å; Q57-I70 HydrophobicContact CG-CD1 3.82Å
58T65.8Low66.8Low119 Ų119110.5 Ų110.573%0.7360%0.596SS**  trans-77.9106.2162.544.10000107I56 S60I56-T58 PolarHBondContact O-N 3.02Å; T58-S60 PolarHBondContact O-N 3.24Å
59S61.8Low67.1Low52 Ų52112.7 Ų112.736%0.36461%0.608SS.*  trans-56.5124.9175.648.10000109.3Q57 D61 C64Q57-S59 PolarHBondContact O-N 3.13Å; S59-D61 PolarHBondContact O-N 2.93Å; S59-D61 VanDerWaalsContact O-N 3.16Å; S59-C64 WeakPolarHBondContact OG-CB 3.49Å; S59-C64 PolarHBondContact OG-O 3.35Å
60S59.2Low67.6Low118 Ų118106.5 Ų106.583%0.82558%0.583SS**SBendtrans-66-6.2170.542.40000112.8T58 V62T58-S60 PolarHBondContact O-N 3.24Å; S60-V62 PolarHBondContact O-N 3.41Å
61D57.4Low68.2Low119 Ų119107 Ų10764%0.63659%0.592SS**SBendtrans-71.4115.5171.6-65.8-31.7000110.7S59 N63 C64S59-D61 PolarHBondContact O-N 2.93Å; S59-D61 VanDerWaalsContact O-N 3.16Å; D61-N63 PolarHBondContact O-N 2.92Å; D61-C64 PolarHBondContact O-N 3.31Å
62V60.7Low68.5Low143 Ų143108.9 Ų108.987%0.86760%0.596SS**THydrogen-bonded Turntrans-52.6-11.6-176.1-173.10000114.3S60S60-V62 PolarHBondContact O-N 3.41Å
63N59.5Low68.4Low153 Ų153106.9 Ų106.982%0.81859%0.591SS**THydrogen-bonded Turntrans-112.11.1-171.7-70.1-14.1000116.1D61D61-N63 PolarHBondContact O-N 2.92Å
64C54.1Low68.6Low87 Ų87101.4 Ų101.459%0.58857%0.573SS**  trans-113.196.1173.8-94.90000111.1S59 D61 Q66S59-C64 WeakPolarHBondContact OG-CB 3.49Å; S59-C64 PolarHBondContact OG-O 3.35Å; D61-C64 PolarHBondContact O-N 3.31Å; C64-Q66 PolarHBondContact O-N 3.48Å
65T64.8Low68.6Low144 Ų144102.7 Ų102.788%0.88358%0.575SS**  trans-77.7-2-177.4-17.90000114.2
66Q61.4Low68.6Low168 Ų168104.6 Ų104.679%0.78559%0.586SS**SBendtrans-106.9125-179.1-68.7-173.8-9.700111.2C64 K68C64-Q66 PolarHBondContact O-N 3.48Å; Q66-K68 PolarHBondContact O-N 3.01Å
67P69.9Low68.4Low83 Ų83102.4 Ų102.454%0.53958%0.576SS.*  trans-62.7130.8176.123.6-30.8000110.7I56I56-P67 HydrophobicContact CG2-CB 3.45Å; I56-P67 VanDerWaalsContact CG2-CB 3.45Å
68K75.1Confident68.9Low149 Ų14998.9 Ų98.965%0.64856%0.561SS**EExtended strand (participates in β ladder)trans-91.2116.8175.6-164.5177.5-178.1-179.40108.9Q57 Q66 I70Q57-K68 PolarHBondContact N-O 3.37Å; Q57-K68 VanDerWaalsContact N-O 3.09Å; Q57-K68 PolarHBondContact O-N 3.45Å; Q66-K68 PolarHBondContact O-N 3.01Å; K68-I70 HydrophobicContact CG-CG1 4.39Å; K68-I70 PolarHBondContact O-N 3.2Å
69I75.2Confident69.3Low119 Ų11997.6 Ų97.661%0.6155%0.55SS**EExtended strand (participates in β ladder)trans-78.9113.5174.2-57.2172.2000107.3T54T54-I69 HydrophobicContact CG2-CG2 4.09Å
70I79.3Confident70.2Confident40 Ų40103.1 Ų103.121%0.20558%0.575CS.*EExtended strand (participates in β ladder)trans-105.7128.6173.6-68.5162.2000107.9T54 T55 Q57 K68 E72T54-I70 WeakPolarHBondContact CA-O 3.41Å; T55-I70 PolarHBondContact N-O 3.45Å; T55-I70 PolarHBondContact O-N 2.98Å; Q57-I70 HydrophobicContact CB-CD1 4.1Å; Q57-I70 HydrophobicContact CG-CD1 3.82Å; K68-I70 HydrophobicContact CG-CG1 4.39Å; K68-I70 PolarHBondContact O-N 3.2Å; I70-E72 HydrophobicContact CG2-CG 3.96Å
71T77.5Confident71.3Confident97 Ų97102 Ų10260%0.59556%0.562SS**EExtended strand (participates in β ladder)trans-92.5101.4174.549.70000108.4I52 T54I52-T71 HydrophobicContact CG2-CG2 4Å; T54-T71 HydrophobicContact CG2-CG2 3.85Å
72E76.3Confident72.3Confident86 Ų86100.2 Ų100.240%0.40255%0.553SS.*EExtended strand (participates in β ladder)trans-101.6145.6172.5-82.6166-162.200109.2R53 I70 D74R53-E72 PolarHBondContact N-O 3.11Å; R53-E72 PolarHBondContact O-N 2.95Å; I70-E72 HydrophobicContact CG2-CG 3.96Å; E72-D74 PolarHBondContact O-N 3.04Å
73P73.6Confident73.4Confident79 Ų7995.3 Ų95.351%0.51353%0.531SS..EExtended strand (participates in β ladder)trans-63133.9170.727.3-32.2000109.2I75P73-I75 PolarHBondContact O-N 3.42Å
74D76.3Confident74.5Confident33 Ų3396.3 Ų96.318%0.17652%0.523CS..PPolyproline II helixtrans-69.1123.8178.4-158.5-9000109.7S51 R53 E72 V76S51-D74 VanDerWaalsContact O-CB 3.28Å; S51-D74 WeakPolarHBondContact O-CB 3.25Å; S51-D74 PolarHBondContact O-N 3.01Å; S51-D74 VanDerWaalsContact OG-CB 3.26Å; S51-D74 WeakPolarHBondContact OG-CB 3.11Å; R53-D74 HydrophobicContact CB-CB 4.08Å; E72-D74 PolarHBondContact O-N 3.04Å; D74-V76 PolarHBondContact O-N 2.63Å; D74-V76 WeakPolarHBondContact OD1-CG2 3.49Å; D74-V76 PolarHBondContact OD1-N 3.2Å
75I75.5Confident75.8Confident116 Ų11696.8 Ų96.860%0.59551%0.513SS*.SBendtrans-74.4-22.2-176.9-61.4168.6000110.3P73 D77 S78 V81P73-I75 PolarHBondContact O-N 3.42Å; I75-D77 VanDerWaalsContact C-N 3.28Å; I75-D77 PolarHBondContact O-N 2.71Å; I75-S78 VanDerWaalsContact O-CB 3.22Å; I75-S78 WeakPolarHBondContact O-CB 3.42Å; I75-S78 PolarHBondContact O-N 3.46Å; I75-S78 VanDerWaalsContact O-N 3.12Å; I75-V81 HydrophobicContact CG2-CG2 3.69Å
76V74.5Confident76.8Confident88 Ų8890.5 Ų90.553%0.53347%0.473SS..THydrogen-bonded Turntrans-60.2-37.9-179.6-179.60000111.8D74 S78 L82D74-V76 PolarHBondContact O-N 2.63Å; D74-V76 WeakPolarHBondContact OD1-CG2 3.49Å; D74-V76 PolarHBondContact OD1-N 3.2Å; V76-S78 VanDerWaalsContact C-N 3.34Å; V76-L82 WeakPolarHBondContact O-CD1 3.31Å; V76-L82 VanDerWaalsContact O-CG 3.31Å; V76-L82 WeakPolarHBondContact O-CG 3.31Å
77D71.8Confident78.1Confident64 Ų6486.9 Ų86.934%0.34246%0.459SS..THydrogen-bonded Turntrans-928.4179.8-68.8-33.9000113.4S51 I75S51-D77 WeakPolarHBondContact CB-OD2 3.22Å; S51-D77 PolarHBondContact OG-OD2 3.06Å; I75-D77 VanDerWaalsContact C-N 3.28Å; I75-D77 PolarHBondContact O-N 2.71Å
78S76.4Confident78.9Confident19 Ų1985.5 Ų85.513%0.13345%0.449CS..  trans-73.8133.2-179.6-169.90000111.9I75 V76 L80 V81 L82I75-S78 VanDerWaalsContact O-CB 3.22Å; I75-S78 WeakPolarHBondContact O-CB 3.42Å; I75-S78 PolarHBondContact O-N 3.46Å; I75-S78 VanDerWaalsContact O-N 3.12Å; V76-S78 VanDerWaalsContact C-N 3.34Å; S78-L80 PolarHBondContact O-N 2.82Å; S78-V81 PolarHBondContact O-N 2.59Å; S78-L82 PolarHBondContact O-N 2.85Å
79D75.2Confident79.4Confident93 Ų9380.8 Ų80.850%0.49744%0.444SS..Hα-helixtrans-52.2-29.6173.1-72.2-6.2000113.1V81 G83D79-V81 VanDerWaalsContact C-N 3.34Å; D79-G83 WeakPolarHBondContact O-CA 3.25Å; D79-G83 PolarHBondContact O-N 3.34Å
80L80.4Confident80Confident168 Ų16878.7 Ų78.788%0.8843%0.433SS*.Hα-helixtrans-74.3-24.8179.8-65.1177.3000113.3S78S78-L80 PolarHBondContact O-N 2.82Å
81V82.5Confident80.3Confident93 Ų9376.9 Ų76.956%0.56442%0.424SS*.Hα-helixtrans-94.9-47.1-177.81790000110.6I75 S78 D79I75-V81 HydrophobicContact CG2-CG2 3.69Å; S78-V81 PolarHBondContact O-N 2.59Å; D79-V81 VanDerWaalsContact C-N 3.34Å
82L78.2Confident80.8Confident83 Ų8376.9 Ų76.944%0.43542%0.418SS..Hα-helixtrans-76-25.7177.7-65.9173.6000112.6V76 S78 R85V76-L82 WeakPolarHBondContact O-CD1 3.31Å; V76-L82 VanDerWaalsContact O-CG 3.31Å; V76-L82 WeakPolarHBondContact O-CG 3.31Å; S78-L82 PolarHBondContact O-N 2.85Å; L82-R85 VanDerWaalsContact CD1-NH1 3.33Å
83G83.2Confident81.5Confident39 Ų3973.7 Ų73.740%0.40240%0.404SS..  trans73.1-141-169.100000111.4D79 R85D79-G83 WeakPolarHBondContact O-CA 3.25Å; D79-G83 PolarHBondContact O-N 3.34Å; G83-R85 PolarHBondContact O-N 3.16Å
84R82.7Confident82.2Confident175 Ų17574.6 Ų74.666%0.6640%0.398SS*.SBendtrans-70.8125.6178.3-63.3-177.8-174.7-169.71.4109.5F86R84-F86 VanDerWaalsContact C-N 3.34Å; R84-F86 PolarHBondContact O-N 3.38Å
85R81.5Confident82.8Confident97 Ų9774.8 Ų74.837%0.36640%0.401SS..SBendtrans-61-38.8-177.3-173.561.6171.4-173.61113.5N43 L82 G83N43-R85 PolarHBondContact OD1-N 3.14Å; L82-R85 VanDerWaalsContact CD1-NH1 3.33Å; G83-R85 PolarHBondContact O-N 3.16Å
86F86.8Confident83.3Confident11 Ų1169.2 Ų69.25%0.04837%0.373CS..  trans-114.9125.7-179.4-60.1-82.4000110.9R6 F10 F42 N43 R84R6-F86 HydrophobicContact CB-CE2 3.7Å; R6-F86 HydrophobicContact CB-CZ 3.79Å; F10-F86 HydrophobicContact CB-CE1 3.74Å; F10-F86 HydrophobicContact CB-CZ 4.19Å; F10-F86 HydrophobicContact CD1-CE1 4.31Å; F10-F86 AromaticContact CD2-CD1 3.82Å; F10-F86 HydrophobicContact CD2-CD1 3.82Å; F10-F86 AromaticContact CD2-CE1 3.72Å; F10-F86 HydrophobicContact CD2-CE1 3.72Å; F10-F86 HydrophobicContact CE2-CD1 4.1Å; F10-F86 HydrophobicContact CE2-CE1 4.4Å; F10-F86 HydrophobicContact CG-CD1 4.18Å; F10-F86 AromaticContact CG-CE1 3.66Å; F10-F86 HydrophobicContact CG-CE1 3.66Å; F42-F86 HydrophobicContact CB-CB 4.29Å; F42-F86 HydrophobicContact CB-CD2 3.49Å; F42-F86 VanDerWaalsContact CB-CD2 3.49Å; F42-F86 HydrophobicContact CB-CE2 3.89Å; F42-F86 HydrophobicContact CB-CG 3.86Å; F42-F86 HydrophobicContact CG-CD2 4.47Å; N43-F86 PolarHBondContact ND2-O 3.45Å; N43-F86 PolarHBondContact OD1-N 3.03Å; R84-F86 VanDerWaalsContact C-N 3.34Å; R84-F86 PolarHBondContact O-N 3.38Å
87L89Confident83.7Confident93 Ų9367.9 Ų67.949%0.48736%0.362SS..  trans-100.4153.3174-64.5170.7000110.2G89 D90L87-G89 PolarHBondContact O-N 3.34Å; L87-G89 VanDerWaalsContact O-N 3.14Å; L87-D90 WeakPolarHBondContact CB-OD2 3.49Å; L87-D90 PolarHBondContact N-OD2 3.5Å; L87-D90 PolarHBondContact O-N 3.38Å; L87-D90 VanDerWaalsContact O-N 3.16Å
88P85.5Confident84.5Confident53 Ų5368.7 Ų68.734%0.34437%0.373SS..THydrogen-bonded Turntrans-62.5-18.4172.526.8-34.9000112.7K35 A39K35-P88 HydrophobicContact CB-CB 3.99Å; K35-P88 WeakPolarHBondContact CD-O 3.46Å; A39-P88 HydrophobicContact CB-CB 4.47Å
89G87.1Confident85.1Confident51 Ų5168 Ų6853%0.52637%0.368SS..THydrogen-bonded Turntrans-72.2-31.2175.700000113.7L87 I91L87-G89 PolarHBondContact O-N 3.34Å; L87-G89 VanDerWaalsContact O-N 3.14Å; G89-I91 PolarHBondContact O-N 2.74Å
90D86.5Confident85.8Confident74 Ų7465 Ų6540%0.39636%0.355SS..THydrogen-bonded Turntrans-70.7-25.2-176.2-50.3-22.2000111.5L87 M92L87-D90 WeakPolarHBondContact CB-OD2 3.49Å; L87-D90 PolarHBondContact N-OD2 3.5Å; L87-D90 PolarHBondContact O-N 3.38Å; L87-D90 VanDerWaalsContact O-N 3.16Å; D90-M92 PolarHBondContact O-N 2.78Å
91I86.6Confident86.3Confident2 Ų261.4 Ų61.41%0.0134%0.336CS..  trans-82.7103.9-179.2-50.4-178000109.4F10 K35 L38 A39 G89 L93F10-I91 HydrophobicContact CE2-CD1 4.49Å; F10-I91 HydrophobicContact CE2-CG1 3.91Å; F10-I91 HydrophobicContact CZ-CG1 4.16Å; K35-I91 WeakPolarHBondContact CE-O 3.49Å; K35-I91 HydrophobicContact CG-CB 4.36Å; K35-I91 PolarHBondContact NZ-O 3.48Å; L38-I91 HydrophobicContact CB-CD1 3.43Å; L38-I91 VanDerWaalsContact CB-CD1 3.43Å; L38-I91 HydrophobicContact CD1-CD1 4.37Å; L38-I91 HydrophobicContact CD1-CG2 4.22Å; A39-I91 HydrophobicContact CB-CD1 4.23Å; G89-I91 PolarHBondContact O-N 2.74Å; I91-L93 HydrophobicContact CG2-CD1 4.46Å; I91-L93 HydrophobicContact CG2-CD2 4.07Å; I91-L93 HydrophobicContact CG2-CG 3.96Å; I91-L93 PolarHBondContact O-N 2.93Å
92M88.4Confident86.7Confident97 Ų9758.2 Ų58.248%0.47832%0.315SS..  trans-76.5121.1172-61.5-58.817800109.9D90 I111 G112 I116D90-M92 PolarHBondContact O-N 2.78Å; M92-I111 WeakPolarHBondContact O-CA 3.33Å; M92-G112 PolarHBondContact O-N 3.29Å; M92-I116 HydrophobicContact CB-CD1 3.68Å
93L89.2Confident87.4Confident20 Ų2054.8 Ų54.811%0.10530%0.296CS..EExtended strand (participates in β ladder)trans-133.8126.8177.5-64.9-179.1000109.6V34 K35 I91 G110 I111V34-L93 HydrophobicContact CB-CD1 4.04Å; V34-L93 HydrophobicContact CG1-CD1 3.57Å; K35-L93 HydrophobicContact CD-CD1 4.49Å; K35-L93 HydrophobicContact CG-CD1 3.56Å; K35-L93 HydrophobicContact CG-CG 4.15Å; I91-L93 HydrophobicContact CG2-CD1 4.46Å; I91-L93 HydrophobicContact CG2-CD2 4.07Å; I91-L93 HydrophobicContact CG2-CG 3.96Å; I91-L93 PolarHBondContact O-N 2.93Å; L93-G110 WeakPolarHBondContact CA-O 3.46Å; L93-I111 HydrophobicContact CD2-CB 4.04Å; L93-I111 HydrophobicContact CD2-CD1 3.86Å; L93-I111 HydrophobicContact CD2-CG1 3.49Å; L93-I111 VanDerWaalsContact CD2-CG1 3.49Å; L93-I111 HydrophobicContact CD2-CG2 3.91Å
94Y90Very high88Confident98 Ų9853.3 Ų53.338%0.38428%0.28SS..EExtended strand (participates in β ladder)trans-118.1118.5174-178.5-107.3000110.9I96 Y109 G110 I116 A120Y94-I96 HydrophobicContact CD1-CG1 4.27Å; Y94-I96 PolarHBondContact O-N 3.33Å; Y94-Y109 CarbonylContact O-C 3.51Å; Y94-Y109 VanDerWaalsContact O-CA 3.27Å; Y94-Y109 WeakPolarHBondContact O-CA 3.41Å; Y94-G110 PolarHBondContact N-O 2.68Å; Y94-G110 PolarHBondContact O-N 2.89Å; Y94-I116 HydrophobicContact CG-CG2 4.25Å; Y94-A120 HydrophobicContact CD1-CB 4.04Å
95P88Confident88.5Confident36 Ų3645 Ų4523%0.23425%0.249CC..EExtended strand (participates in β ladder)trans-72.3120.1174.725.1-28.3000111.2V27 Y109V27-P95 HydrophobicContact CG1-CB 3.84Å; V27-P95 HydrophobicContact CG1-CG 4.11Å; P95-Y109 HydrophobicContact CB-CD1 4.07Å; P95-Y109 HydrophobicContact CB-CE1 3.54Å; P95-Y109 HydrophobicContact CG-CE1 4.34Å
96I85.1Confident89.2Confident0 Ų040.4 Ų40.40%023%0.231CC..EExtended strand (participates in β ladder)trans-86.6127.6171.9-53169.6000108.9Y94 Q107 V108 A120 F123Y94-I96 HydrophobicContact CD1-CG1 4.27Å; Y94-I96 PolarHBondContact O-N 3.33Å; I96-Q107 PolarHBondContact O-NE2 3.16Å; I96-V108 HydrophobicContact CD1-CG1 4.07Å; I96-V108 PolarHBondContact N-O 2.96Å; I96-A120 HydrophobicContact CD1-CB 3.65Å; I96-A120 HydrophobicContact CG1-CB 3.83Å; I96-F123 HydrophobicContact CB-CD1 4.48Å; I96-F123 HydrophobicContact CB-CE1 4.45Å; I96-F123 HydrophobicContact CD1-CB 4.26Å; I96-F123 HydrophobicContact CD1-CD1 4.05Å; I96-F123 HydrophobicContact CD1-CD2 4.49Å; I96-F123 HydrophobicContact CD1-CE1 4.4Å; I96-F123 HydrophobicContact CD1-CG 4.08Å; I96-F123 HydrophobicContact CG2-CD1 3.56Å; I96-F123 HydrophobicContact CG2-CE1 3.72Å
97D84.3Confident89.5Confident59 Ų5939.9 Ų39.932%0.31623%0.229SC..SBendtrans49.370.2-178-79.7-38000112.5L99 Q107 K130 R309 H312D97-L99 PolarHBondContact O-N 3.21Å; D97-Q107 PolarHBondContact O-NE2 3.29Å; D97-K130 IonicContact OD1-NZ 2.81Å; D97-K130 WeakPolarHBondContact OD2-CE 3.49Å; D97-K130 IonicContact OD2-NZ 2.63Å; D97-K130 PolarHBondContact OD2-NZ 3.26Å; D97-R309 PolarHBondContact O-NH1 2.9Å; D97-R309 VanDerWaalsContact O-NH1 3.08Å; D97-H312 IonicContact OD2-CE1 3.68Å; D97-H312 PolarHBondContact OD2-CE1 3.21Å; D97-H312 IonicContact OD2-NE2 2.86Å
98S87.3Confident89.6Confident82 Ų8235.4 Ų35.457%0.57321%0.206SC*.PPolyproline II helixtrans-58.7120-176.161.10000112.2
99L90Very high89.9Confident4 Ų433 Ų332%0.02119%0.19CC..PPolyproline II helixtrans-70138.3174.3-70.3169.1000111.5K21 V27 D97 M103 Q107 Y132 R309K21-L99 HydrophobicContact CB-CD1 4.42Å; K21-L99 HydrophobicContact CD-CB 3.8Å; K21-L99 HydrophobicContact CD-CD1 4.07Å; K21-L99 PolarHBondContact NZ-O 2.69Å; V27-L99 WeakPolarHBondContact CG2-O 2.87Å; D97-L99 PolarHBondContact O-N 3.21Å; L99-M103 HydrophobicContact CB-CB 4.24Å; L99-M103 HydrophobicContact CB-CE 4.36Å; L99-M103 HydrophobicContact CD2-CB 4.1Å; L99-M103 HydrophobicContact CD2-CE 3.8Å; L99-M103 HydrophobicContact CD2-SD 4.29Å; L99-Q107 HydrophobicContact CD1-CB 4.45Å; L99-Q107 VanDerWaalsContact N-OE1 3.1Å; L99-Y132 HydrophobicContact CD2-CE1 4.13Å; L99-R309 HydrophobicContact CD1-CB 4.43Å; L99-R309 HydrophobicContact CD2-CB 4.24Å
100S88.8Confident90.1Very high31 Ų3130.5 Ų30.522%0.21716%0.164CC..PPolyproline II helixtrans-63.4159.1171.575.20000112.3K21 F102 M103 L284K21-S100 PolarHBondContact NZ-O 3.43Å; S100-F102 PolarHBondContact O-N 3.11Å; S100-M103 PolarHBondContact O-N 3.44Å; S100-M103 WeakPolarHBondContact OG-CE 3.39Å; S100-M103 WeakPolarHBondContact OG-CG 3.49Å; S100-L284 VanDerWaalsContact OG-CD2 3.28Å; S100-L284 WeakPolarHBondContact OG-CD2 3.49Å
101D91.4Very high90.2Very high91 Ų9127.2 Ų27.249%0.48715%0.147SC..THydrogen-bonded Turntrans-56.8-33.7-176.3-62.4-3.6000113.5G24 S26G24-D101 VanDerWaalsContact CA-O 3.24Å; G24-D101 WeakPolarHBondContact CA-O 3.44Å; G24-D101 PolarHBondContact N-O 2.63Å; S26-D101 VanDerWaalsContact CA-OD1 3.27Å; S26-D101 WeakPolarHBondContact CA-OD1 3.3Å
102F91.6Very high90.2Very high27 Ų2727.6 Ų27.612%0.11815%0.151CC..THydrogen-bonded Turntrans-70.7-32.2176.1-179.6-96.9000112.6S100 T146 L284 L304 S305 A307S100-F102 PolarHBondContact O-N 3.11Å; F102-T146 HydrophobicContact CD2-CG2 4.46Å; F102-T146 HydrophobicContact CE2-CG2 4.41Å; F102-T146 HydrophobicContact CZ-CG2 4.47Å; F102-L284 HydrophobicContact CB-CD2 4.45Å; F102-L284 HydrophobicContact CD1-CD1 4.05Å; F102-L304 HydrophobicContact CD1-CD2 4.4Å; F102-L304 HydrophobicContact CE1-CD2 3.73Å; F102-L304 HydrophobicContact CE1-CG 3.8Å; F102-L304 HydrophobicContact CZ-CG 4.24Å; F102-L304 WeakPolarHBondContact CZ-O 3.49Å; F102-S305 VanDerWaalsContact CZ-C 3.49Å; F102-S305 WeakPolarHBondContact CZ-O 3.28Å; F102-A307 HydrophobicContact CD1-CB 4.48Å; F102-A307 HydrophobicContact CE1-CB 4.28Å
103M93.3Very high89.7Confident10 Ų1029.4 Ų29.45%0.04916%0.158CC..EExtended strand (participates in β ladder)trans-80.2144.1-178.2-63.2-168.9-65.100111.8L99 S100 Y132 L284 F287 A307L99-M103 HydrophobicContact CB-CB 4.24Å; L99-M103 HydrophobicContact CB-CE 4.36Å; L99-M103 HydrophobicContact CD2-CB 4.1Å; L99-M103 HydrophobicContact CD2-CE 3.8Å; L99-M103 HydrophobicContact CD2-SD 4.29Å; S100-M103 PolarHBondContact O-N 3.44Å; S100-M103 WeakPolarHBondContact OG-CE 3.39Å; S100-M103 WeakPolarHBondContact OG-CG 3.49Å; M103-Y132 HydrophobicContact SD-CE1 4.39Å; M103-L284 HydrophobicContact CG-CD1 3.99Å; M103-L284 HydrophobicContact SD-CD1 4.24Å; M103-F287 HydrophobicContact SD-CD2 4.19Å; M103-F287 HydrophobicContact SD-CE2 4.13Å; M103-A307 HydrophobicContact CG-CB 3.91Å
104S93.9Very high89.1Confident9 Ų929.9 Ų29.96%0.06316%0.161CC..EExtended strand (participates in β ladder)trans-120.1167.7175.958.80000110.4K21 A307 R308 R309K21-S104 WeakPolarHBondContact O-CA 3.35Å; K21-S104 WeakPolarHBondContact O-CB 3.15Å; S104-A307 PolarHBondContact N-O 3.17Å; S104-A307 PolarHBondContact OG-O 2.89Å; S104-A307 VanDerWaalsContact OG-O 3.07Å; S104-R308 CarbonylContact O-C 3.57Å; S104-R308 WeakPolarHBondContact O-CA 3.36Å; S104-R309 PolarHBondContact O-N 2.99Å
105G95.1Very high88.4Confident0 Ų025.2 Ų25.20%014%0.143CC..EExtended strand (participates in β ladder)trans122.8-160.3170.800000114K21 Q107 R309K21-G105 WeakPolarHBondContact CB-O 3.32Å; K21-G105 PolarHBondContact N-O 3.42Å; K21-G105 PolarHBondContact O-N 3.37Å; G105-Q107 PolarHBondContact O-N 3.32Å; G105-R309 CarbonylContact C-O 3.58Å; G105-R309 WeakPolarHBondContact CA-O 3.25Å
106V94.4Very high88Confident0 Ų025.1 Ų25.10%014%0.14CC..EExtended strand (participates in β ladder)trans-60.1121.2-177.81800000110C18 V108 R309 H312 I315 A317C18-V106 WeakPolarHBondContact SG-CG1 3.48Å; V106-V108 HydrophobicContact CG1-CG2 4.38Å; V106-R309 PolarHBondContact N-O 2.65Å; V106-R309 PolarHBondContact O-NE 3.33Å; V106-R309 PolarHBondContact O-NH2 3.31Å; V106-H312 HydrophobicContact CG1-CB 4.37Å; V106-I315 HydrophobicContact CG1-CG2 3.96Å; V106-A317 HydrophobicContact CG2-CB 3.75Å
107Q93.2Very high87.7Confident0 Ų033 Ų330%017%0.171CC..EExtended strand (participates in β ladder)trans-116.9124.5171.6-176.960.659.300109.2V19 K21 I96 D97 L99 G105 Y109V19-Q107 PolarHBondContact N-O 3Å; V19-Q107 WeakPolarHBondContact O-CA 3.41Å; V19-Q107 WeakPolarHBondContact O-CB 3.46Å; V19-Q107 PolarHBondContact O-N 3.31Å; V19-Q107 VanDerWaalsContact O-O 3.12Å; K21-Q107 HydrophobicContact CB-CB 4.25Å; I96-Q107 PolarHBondContact O-NE2 3.16Å; D97-Q107 PolarHBondContact O-NE2 3.29Å; L99-Q107 HydrophobicContact CD1-CB 4.45Å; L99-Q107 VanDerWaalsContact N-OE1 3.1Å; G105-Q107 PolarHBondContact O-N 3.32Å; Q107-Y109 HydrophobicContact CB-CE2 4.01Å; Q107-Y109 HydrophobicContact CG-CD2 4.14Å; Q107-Y109 HydrophobicContact CG-CE1 4.46Å; Q107-Y109 HydrophobicContact CG-CE2 3.39Å
108V91.9Very high87.5Confident0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-96.9141.1179.8-169.90000108.8I16 L17 I96 V106 F123 H312 I315I16-V108 HydrophobicContact CG2-CG1 3.34Å; L17-V108 CarbonylContact O-C 3.55Å; L17-V108 WeakPolarHBondContact O-CA 3.19Å; I96-V108 HydrophobicContact CD1-CG1 4.07Å; I96-V108 PolarHBondContact N-O 2.96Å; V106-V108 HydrophobicContact CG1-CG2 4.38Å; V108-F123 HydrophobicContact CB-CZ 4.08Å; V108-F123 HydrophobicContact CG1-CE1 4.48Å; V108-F123 HydrophobicContact CG1-CE2 3.87Å; V108-F123 HydrophobicContact CG1-CZ 3.77Å; V108-F123 HydrophobicContact CG2-CZ 3.98Å; V108-H312 HydrophobicContact CG2-CB 4.2Å; V108-I315 HydrophobicContact CG1-CD1 3.96Å; V108-I315 HydrophobicContact CG2-CD1 3.89Å
109Y92.3Very high87.2Confident1 Ų133.8 Ų33.80%0.00416%0.163CC..EExtended strand (participates in β ladder)trans-129.9138.7-178.8-74.6-77.1000109.8I16 L17 V19 L30 T31 Y94 P95 Q107I16-Y109 CarbonylContact C-O 3.53Å; I16-Y109 WeakPolarHBondContact CA-O 3.41Å; L17-Y109 PolarHBondContact N-O 2.96Å; L17-Y109 PolarHBondContact O-N 3.47Å; V19-Y109 HydrophobicContact CB-CD2 4.17Å; V19-Y109 HydrophobicContact CB-CE2 4.08Å; V19-Y109 HydrophobicContact CG2-CD2 4.02Å; V19-Y109 HydrophobicContact CG2-CE2 4.3Å; L30-Y109 HydrophobicContact CD2-CE2 3.58Å; L30-Y109 WeakPolarHBondContact CD2-OH 3.48Å; T31-Y109 HydrophobicContact CG2-CD1 4.4Å; T31-Y109 HydrophobicContact CG2-CE1 3.39Å; Y94-Y109 CarbonylContact O-C 3.51Å; Y94-Y109 VanDerWaalsContact O-CA 3.27Å; Y94-Y109 WeakPolarHBondContact O-CA 3.41Å; P95-Y109 HydrophobicContact CB-CD1 4.07Å; P95-Y109 HydrophobicContact CB-CE1 3.54Å; P95-Y109 HydrophobicContact CG-CE1 4.34Å; Q107-Y109 HydrophobicContact CB-CE2 4.01Å; Q107-Y109 HydrophobicContact CG-CD2 4.14Å; Q107-Y109 HydrophobicContact CG-CE1 4.46Å; Q107-Y109 HydrophobicContact CG-CE2 3.39Å
110G91Very high86.6Confident0 Ų033.6 Ų33.60%016%0.162CC..EExtended strand (participates in β ladder)trans-84.4130.3157.200000109.1L93 Y94L93-G110 WeakPolarHBondContact CA-O 3.46Å; Y94-G110 PolarHBondContact N-O 2.68Å; Y94-G110 PolarHBondContact O-N 2.89Å
111I89.5Confident86.1Confident4 Ų435.6 Ų35.62%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-112.5139.4171.7-45.2-166000109.4L13 G15 L17 M92 L93 G115L13-I111 HydrophobicContact CB-CG2 4.29Å; L13-I111 VanDerWaalsContact O-CB 3.31Å; L13-I111 WeakPolarHBondContact O-CB 3.31Å; L13-I111 WeakPolarHBondContact O-CG2 3.46Å; G15-I111 PolarHBondContact N-O 3.3Å; G15-I111 PolarHBondContact O-N 2.91Å; L17-I111 HydrophobicContact CB-CD1 3.45Å; L17-I111 VanDerWaalsContact CB-CD1 3.45Å; L17-I111 HydrophobicContact CB-CG1 3.63Å; L17-I111 HydrophobicContact CD1-CD1 4.23Å; L17-I111 HydrophobicContact CD2-CD1 3.58Å; L17-I111 HydrophobicContact CD2-CG1 4.37Å; L17-I111 HydrophobicContact CG-CD1 3.89Å; M92-I111 WeakPolarHBondContact O-CA 3.33Å; L93-I111 HydrophobicContact CD2-CB 4.04Å; L93-I111 HydrophobicContact CD2-CD1 3.86Å; L93-I111 HydrophobicContact CD2-CG1 3.49Å; L93-I111 VanDerWaalsContact CD2-CG1 3.49Å; L93-I111 HydrophobicContact CD2-CG2 3.91Å; I111-G115 VanDerWaalsContact O-CA 3.31Å; I111-G115 WeakPolarHBondContact O-CA 3.22Å
112G84.9Confident85.5Confident10 Ų1036.9 Ų36.910%0.10317%0.172CC..SBendtrans85.1179.6175.500000112.3N14 M92 I116N14-G112 WeakPolarHBondContact OD1-CA 3.49Å; M92-G112 PolarHBondContact O-N 3.29Å; G112-I116 VanDerWaalsContact O-CD1 3.25Å; G112-I116 WeakPolarHBondContact O-CD1 3.33Å; G112-I116 WeakPolarHBondContact O-CG1 3.32Å; G112-I116 PolarHBondContact O-N 2.97Å
113E78.3Confident85Confident135 Ų13535.7 Ų35.763%0.63117%0.166SC*.Hα-helixtrans-71.3-54-176.2-60-170.8172.900110.4G115 I116 Y117E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.1Å; E113-I116 PolarHBondContact O-N 3.33Å; E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.12Å
114D76Confident84.1Confident30 Ų3039.6 Ų39.616%0.1619%0.185CC..Hα-helixtrans-69.8-33.5179.8-46.8-59.6000112.4N14 I116 N118 Y119N14-D114 PolarHBondContact ND2-OD2 3.38Å; D114-I116 PolarHBondContact O-N 2.89Å; D114-N118 WeakPolarHBondContact O-CA 3.37Å; D114-N118 WeakPolarHBondContact O-CB 3.43Å; D114-N118 PolarHBondContact O-N 3.26Å; D114-Y119 WeakPolarHBondContact O-CD2 3.48Å; D114-Y119 PolarHBondContact O-N 2.97Å; D114-Y119 VanDerWaalsContact O-N 3.1Å
115G76Confident83.1Confident0 Ų046.6 Ų46.60%022%0.216CC..Iπ-helixtrans-59.3-33.8175.400000112.5I111 E113 Y119 A120I111-G115 VanDerWaalsContact O-CA 3.31Å; I111-G115 WeakPolarHBondContact O-CA 3.22Å; E113-G115 VanDerWaalsContact C-N 3.33Å; E113-G115 PolarHBondContact O-N 3.1Å; G115-Y119 WeakPolarHBondContact O-CB 3.31Å; G115-A120 WeakPolarHBondContact O-CB 3.13Å; G115-A120 PolarHBondContact O-N 3.47Å
116I80.6Confident82.2Confident34 Ų3447.1 Ų47.117%0.17422%0.22CC..Iπ-helixtrans-85-55.7178.9-63.9170.4000110.5M92 Y94 G112 E113 D114 A120M92-I116 HydrophobicContact CB-CD1 3.68Å; Y94-I116 HydrophobicContact CG-CG2 4.25Å; G112-I116 VanDerWaalsContact O-CD1 3.25Å; G112-I116 WeakPolarHBondContact O-CD1 3.33Å; G112-I116 WeakPolarHBondContact O-CG1 3.32Å; G112-I116 PolarHBondContact O-N 2.97Å; E113-I116 PolarHBondContact O-N 3.33Å; D114-I116 PolarHBondContact O-N 2.89Å; I116-A120 VanDerWaalsContact O-CB 3.25Å; I116-A120 WeakPolarHBondContact O-CB 3.43Å
117Y78.8Confident81.4Confident166 Ų16648.5 Ų48.565%0.65123%0.23SC*.Iπ-helixtrans-74.2-38.1-172.3-65.1-66.7000113.6E113 D121E113-Y117 WeakPolarHBondContact O-CD2 3.39Å; E113-Y117 PolarHBondContact O-N 3.12Å; Y117-D121 WeakPolarHBondContact O-CB 3.4Å
118N79.5Confident80.9Confident79 Ų7949.3 Ų49.342%0.42223%0.233SC..Iπ-helixtrans-98.6-53.8-173.5-65.5-38.4000111.4D114 K122D114-N118 WeakPolarHBondContact O-CA 3.37Å; D114-N118 WeakPolarHBondContact O-CB 3.43Å; D114-N118 PolarHBondContact O-N 3.26Å; N118-K122 WeakPolarHBondContact O-CB 3.47Å; N118-K122 WeakPolarHBondContact O-CD 3.49Å; N118-K122 WeakPolarHBondContact O-CG 3.37Å; N118-K122 PolarHBondContact O-N 3.26Å
119Y80Confident80.6Confident79 Ų7950.7 Ų50.731%0.3124%0.24SC..Iπ-helixtrans-75.2-45.4-173.8-72.4-80.9000112.7I16 D114 G115 F123I16-Y119 HydrophobicContact CD1-CD1 4.37Å; D114-Y119 WeakPolarHBondContact O-CD2 3.48Å; D114-Y119 PolarHBondContact O-N 2.97Å; D114-Y119 VanDerWaalsContact O-N 3.1Å; G115-Y119 WeakPolarHBondContact O-CB 3.31Å; Y119-F123 WeakPolarHBondContact O-CB 3.45Å; Y119-F123 PolarHBondContact O-N 2.76Å
120A78.5Confident80.5Confident0 Ų050.8 Ų50.80%024%0.241CC..Iπ-helixtrans-66.9-41.5-178.600000112.2Y94 I96 G115 I116 F123 E124Y94-A120 HydrophobicContact CD1-CB 4.04Å; I96-A120 HydrophobicContact CD1-CB 3.65Å; I96-A120 HydrophobicContact CG1-CB 3.83Å; G115-A120 WeakPolarHBondContact O-CB 3.13Å; G115-A120 PolarHBondContact O-N 3.47Å; I116-A120 VanDerWaalsContact O-CB 3.25Å; I116-A120 WeakPolarHBondContact O-CB 3.43Å; A120-F123 WeakPolarHBondContact O-CB 3.25Å; A120-F123 PolarHBondContact O-N 2.7Å; A120-E124 PolarHBondContact O-N 2.85Å
121D77.4Confident80.7Confident73 Ų7351.1 Ų51.139%0.3924%0.243SC..Hα-helixtrans-63.4-45.7176.5-79.75.5000111.9Y117 F123 E124 Q125Y117-D121 WeakPolarHBondContact O-CB 3.4Å; D121-F123 VanDerWaalsContact C-N 3.26Å; D121-F123 PolarHBondContact O-N 2.69Å; D121-E124 PolarHBondContact O-N 2.69Å; D121-Q125 WeakPolarHBondContact O-CB 3.38Å; D121-Q125 WeakPolarHBondContact O-CG 3.27Å; D121-Q125 PolarHBondContact O-N 3.33Å
122K78.9Confident81Confident117 Ų11751 Ų5151%0.50924%0.242SC..Hα-helixtrans-60.2-40175-75.5174-174.4176.80111.4N118 S126 F401N118-K122 WeakPolarHBondContact O-CB 3.47Å; N118-K122 WeakPolarHBondContact O-CD 3.49Å; N118-K122 WeakPolarHBondContact O-CG 3.37Å; N118-K122 PolarHBondContact O-N 3.26Å; K122-S126 WeakPolarHBondContact O-CB 3.44Å; K122-S126 PolarHBondContact O-N 3.31Å; K122-S126 VanDerWaalsContact O-N 3.1Å; K122-F401 HydrophobicContact CB-CE1 3.99Å; K122-F401 HydrophobicContact CB-CZ 3.84Å
123F81Confident81.6Confident2 Ų252.6 Ų52.61%0.00925%0.247CC..Hα-helixtrans-65.8-45.4178.4-172.8-70.9000111.4I16 I96 V108 Y119 A120 D121 S126 W128 H312 I315 F401I16-F123 HydrophobicContact CD1-CD2 3.87Å; I16-F123 HydrophobicContact CD1-CE2 4.45Å; I16-F123 HydrophobicContact CG2-CE2 4.48Å; I96-F123 HydrophobicContact CB-CD1 4.48Å; I96-F123 HydrophobicContact CB-CE1 4.45Å; I96-F123 HydrophobicContact CD1-CB 4.26Å; I96-F123 HydrophobicContact CD1-CD1 4.05Å; I96-F123 HydrophobicContact CD1-CD2 4.49Å; I96-F123 HydrophobicContact CD1-CE1 4.4Å; I96-F123 HydrophobicContact CD1-CG 4.08Å; I96-F123 HydrophobicContact CG2-CD1 3.56Å; I96-F123 HydrophobicContact CG2-CE1 3.72Å; V108-F123 HydrophobicContact CB-CZ 4.08Å; V108-F123 HydrophobicContact CG1-CE1 4.48Å; V108-F123 HydrophobicContact CG1-CE2 3.87Å; V108-F123 HydrophobicContact CG1-CZ 3.77Å; V108-F123 HydrophobicContact CG2-CZ 3.98Å; Y119-F123 WeakPolarHBondContact O-CB 3.45Å; Y119-F123 PolarHBondContact O-N 2.76Å; A120-F123 WeakPolarHBondContact O-CB 3.25Å; A120-F123 PolarHBondContact O-N 2.7Å; D121-F123 VanDerWaalsContact C-N 3.26Å; D121-F123 PolarHBondContact O-N 2.69Å; F123-S126 WeakPolarHBondContact O-CB 3.38Å; F123-S126 PolarHBondContact O-N 2.83Å; F123-S126 PolarHBondContact O-OG 2.79Å; F123-W128 HydrophobicContact CD1-CE3 4.27Å; F123-W128 HydrophobicContact CD1-CZ3 4.36Å; F123-W128 AromaticContact CD2-CE3 3.84Å; F123-W128 HydrophobicContact CD2-CE3 3.84Å; F123-W128 AromaticContact CD2-CH2 3.45Å; F123-W128 HydrophobicContact CD2-CH2 3.45Å; F123-W128 VanDerWaalsContact CD2-CH2 3.45Å; F123-W128 HydrophobicContact CD2-CZ2 4.47Å; F123-W128 AromaticContact CD2-CZ3 3.13Å; F123-W128 HydrophobicContact CD2-CZ3 3.13Å; F123-W128 AromaticContact CE1-CE3 3.95Å; F123-W128 HydrophobicContact CE1-CE3 3.95Å; F123-W128 HydrophobicContact CE1-CZ3 4.17Å; F123-W128 AromaticContact CE2-CE3 3.52Å; F123-W128 HydrophobicContact CE2-CE3 3.52Å; F123-W128 AromaticContact CE2-CH2 3.71Å; F123-W128 HydrophobicContact CE2-CH2 3.71Å; F123-W128 AromaticContact CE2-CZ3 2.9Å; F123-W128 HydrophobicContact CE2-CZ3 2.9Å; F123-W128 HydrophobicContact CG-CE3 4.23Å; F123-W128 HydrophobicContact CG-CH2 4.18Å; F123-W128 AromaticContact CG-CZ3 3.91Å; F123-W128 HydrophobicContact CG-CZ3 3.91Å; F123-W128 AromaticContact CZ-CE3 3.53Å; F123-W128 HydrophobicContact CZ-CE3 3.53Å; F123-W128 AromaticContact CZ-CZ3 3.46Å; F123-W128 HydrophobicContact CZ-CZ3 3.46Å; F123-W128 VanDerWaalsContact CZ-CZ3 3.46Å; F123-H312 AromaticContact CE1-CD2 3.38Å; F123-H312 WeakPolarHBondContact CE1-CD2 3.41Å; F123-H312 AromaticContact CE1-NE2 3.18Å; F123-H312 WeakPolarHBondContact CE1-NE2 3.3Å; F123-H312 AromaticContact CZ-CD2 3.31Å; F123-H312 WeakPolarHBondContact CZ-CD2 3.4Å; F123-H312 AromaticContact CZ-NE2 3.68Å; F123-I315 HydrophobicContact CE2-CD1 3.9Å; F123-I315 HydrophobicContact CZ-CD1 4.28Å; F123-F401 HydrophobicContact CB-CZ 4.4Å
124E75.2Confident82.5Confident92 Ų9246.2 Ų46.243%0.4322%0.217SC..Hα-helixtrans-64.7-45.6176.9-171.217616200111.4A120 D121 S126 S127A120-E124 PolarHBondContact O-N 2.85Å; D121-E124 PolarHBondContact O-N 2.69Å; E124-S126 PolarHBondContact O-N 3.16Å; E124-S126 VanDerWaalsContact O-N 3.16Å; E124-S127 PolarHBondContact O-N 3.22Å; E124-S127 VanDerWaalsContact O-N 3.1Å
125Q73.5Confident83.4Confident156 Ų15646.2 Ų46.273%0.72922%0.218SC*.Hα-helixtrans-61.7-23.7176.9-71.6173.123.500113.4D121 S127D121-Q125 WeakPolarHBondContact O-CB 3.38Å; D121-Q125 WeakPolarHBondContact O-CG 3.27Å; D121-Q125 PolarHBondContact O-N 3.33Å; Q125-S127 VanDerWaalsContact C-N 3.26Å; Q125-S127 PolarHBondContact O-N 3.05Å
126S75.5Confident84.4Confident12 Ų1246.2 Ų46.28%0.08422%0.218CC..THydrogen-bonded Turntrans-75.4-14.8179.378.50000113.7K122 F123 E124 W128 R207K122-S126 WeakPolarHBondContact O-CB 3.44Å; K122-S126 PolarHBondContact O-N 3.31Å; K122-S126 VanDerWaalsContact O-N 3.1Å; F123-S126 WeakPolarHBondContact O-CB 3.38Å; F123-S126 PolarHBondContact O-N 2.83Å; F123-S126 PolarHBondContact O-OG 2.79Å; E124-S126 PolarHBondContact O-N 3.16Å; E124-S126 VanDerWaalsContact O-N 3.16Å; S126-W128 PolarHBondContact O-N 3.48Å; S126-W128 PolarHBondContact OG-NE1 3.02Å; S126-R207 PolarHBondContact O-NH1 2.99Å
127S77Confident85.1Confident29 Ų2946.6 Ų46.620%0.20322%0.22CC..  trans38.665.3-178.8-67.70000112.6E124 Q125 H281E124-S127 PolarHBondContact O-N 3.22Å; E124-S127 VanDerWaalsContact O-N 3.1Å; Q125-S127 VanDerWaalsContact C-N 3.26Å; Q125-S127 PolarHBondContact O-N 3.05Å; S127-H281 PolarHBondContact OG-CE1 2.99Å; S127-H281 PolarHBondContact OG-NE2 3.21Å; S127-H281 VanDerWaalsContact OG-NE2 3.15Å
128W82.9Confident85.9Confident17 Ų1738.9 Ų38.96%0.06419%0.189CC..  trans-70.8151.7-175.8-73.7-23.1000114.2F123 S126 K130 P314 C397 F401F123-W128 HydrophobicContact CD1-CE3 4.27Å; F123-W128 HydrophobicContact CD1-CZ3 4.36Å; F123-W128 AromaticContact CD2-CE3 3.84Å; F123-W128 HydrophobicContact CD2-CE3 3.84Å; F123-W128 AromaticContact CD2-CH2 3.45Å; F123-W128 HydrophobicContact CD2-CH2 3.45Å; F123-W128 VanDerWaalsContact CD2-CH2 3.45Å; F123-W128 HydrophobicContact CD2-CZ2 4.47Å; F123-W128 AromaticContact CD2-CZ3 3.13Å; F123-W128 HydrophobicContact CD2-CZ3 3.13Å; F123-W128 AromaticContact CE1-CE3 3.95Å; F123-W128 HydrophobicContact CE1-CE3 3.95Å; F123-W128 HydrophobicContact CE1-CZ3 4.17Å; F123-W128 AromaticContact CE2-CE3 3.52Å; F123-W128 HydrophobicContact CE2-CE3 3.52Å; F123-W128 AromaticContact CE2-CH2 3.71Å; F123-W128 HydrophobicContact CE2-CH2 3.71Å; F123-W128 AromaticContact CE2-CZ3 2.9Å; F123-W128 HydrophobicContact CE2-CZ3 2.9Å; F123-W128 HydrophobicContact CG-CE3 4.23Å; F123-W128 HydrophobicContact CG-CH2 4.18Å; F123-W128 AromaticContact CG-CZ3 3.91Å; F123-W128 HydrophobicContact CG-CZ3 3.91Å; F123-W128 AromaticContact CZ-CE3 3.53Å; F123-W128 HydrophobicContact CZ-CE3 3.53Å; F123-W128 AromaticContact CZ-CZ3 3.46Å; F123-W128 HydrophobicContact CZ-CZ3 3.46Å; F123-W128 VanDerWaalsContact CZ-CZ3 3.46Å; S126-W128 PolarHBondContact O-N 3.48Å; S126-W128 PolarHBondContact OG-NE1 3.02Å; W128-K130 PolarHBondContact O-N 3.43Å; W128-P314 HydrophobicContact CE3-CG 4.13Å; W128-P314 HydrophobicContact CH2-CG 3.86Å; W128-P314 HydrophobicContact CZ2-CG 4.42Å; W128-P314 HydrophobicContact CZ3-CG 3.6Å; W128-C397 HydrophobicContact CH2-CB 3.93Å; W128-C397 VanDerWaalsContact CH2-SG 3.59Å; W128-F401 HydrophobicContact CH2-CE1 4.43Å; W128-F401 HydrophobicContact CH2-CZ 4.17Å; W128-F401 HydrophobicContact CZ2-CD1 4.2Å; W128-F401 AromaticContact CZ2-CE1 3.8Å; W128-F401 HydrophobicContact CZ2-CE1 3.8Å; W128-F401 AromaticContact CZ2-CZ 3.99Å; W128-F401 HydrophobicContact CZ2-CZ 3.99Å
129L86.1Confident86.6Confident28 Ų2835.4 Ų35.415%0.14717%0.172CC..  trans-67.4127.5172.8-168.469.7000111Y259 N261 Q278 I280 G313L129-Y259 HydrophobicContact CD1-CE1 4.48Å; L129-N261 HydrophobicContact CD1-CB 3.96Å; L129-N261 HydrophobicContact CD2-CB 4.34Å; L129-Q278 HydrophobicContact CD1-CB 4.05Å; L129-Q278 HydrophobicContact CD2-CB 4.01Å; L129-Q278 HydrophobicContact CG-CB 4.09Å; L129-I280 HydrophobicContact CB-CD1 4.46Å; L129-I280 HydrophobicContact CB-CG1 4.46Å; L129-I280 HydrophobicContact CD1-CD1 4.12Å; L129-I280 HydrophobicContact CD1-CG1 3.74Å; L129-G313 WeakPolarHBondContact O-CA 3.37Å; L129-G313 PolarHBondContact O-N 3.04Å
130K90.6Very high87.4Confident4 Ų434.5 Ų34.52%0.01717%0.168CC..EExtended strand (participates in β ladder)trans-112.1136.5-179.1-55.2170.7-156.4170.30109.6D97 W128 Y132 Q278 V279 E282 R311 H312D97-K130 IonicContact OD1-NZ 2.81Å; D97-K130 WeakPolarHBondContact OD2-CE 3.49Å; D97-K130 IonicContact OD2-NZ 2.63Å; D97-K130 PolarHBondContact OD2-NZ 3.26Å; W128-K130 PolarHBondContact O-N 3.43Å; K130-Y132 HydrophobicContact CB-CD2 4.19Å; K130-Y132 HydrophobicContact CB-CE2 3.57Å; K130-Y132 HydrophobicContact CD-CE2 4.25Å; K130-Q278 CarbonylContact O-C 3.6Å; K130-Q278 VanDerWaalsContact O-CA 3.31Å; K130-Q278 WeakPolarHBondContact O-CA 3.18Å; K130-V279 WeakPolarHBondContact CB-O 3.42Å; K130-V279 PolarHBondContact N-O 3.17Å; K130-V279 PolarHBondContact O-N 3.03Å; K130-E282 WeakPolarHBondContact CD-OE1 3.42Å; K130-E282 VanDerWaalsContact CD-OE2 3.25Å; K130-E282 WeakPolarHBondContact CD-OE2 3.2Å; K130-E282 WeakPolarHBondContact CE-OE2 3.32Å; K130-E282 IonicContact NZ-OE1 2.66Å; K130-E282 PolarHBondContact NZ-OE1 2.92Å; K130-E282 IonicContact NZ-OE2 3.7Å; K130-E282 PolarHBondContact NZ-OE2 2.75Å; K130-R311 WeakPolarHBondContact CA-O 2.81Å; K130-H312 WeakPolarHBondContact CE-CE1 2.99Å
131T94.5Very high88.1Confident7 Ų735.7 Ų35.74%0.04318%0.178CC..EExtended strand (participates in β ladder)trans-106.3126.1177.5-500000109.8E276 I277 Q278 V310 R311T131-E276 HydrophobicContact CG2-CG 3.47Å; T131-E276 VanDerWaalsContact CG2-CG 3.47Å; T131-E276 WeakPolarHBondContact CG2-OE1 3.37Å; T131-I277 WeakPolarHBondContact CA-O 3.34Å; T131-Q278 HydrophobicContact CG2-CG 4.16Å; T131-V310 PolarHBondContact O-N 3.19Å; T131-R311 PolarHBondContact N-O 3.41Å; T131-R311 PolarHBondContact O-N 3.18Å
132Y96.2Very high88.9Confident0 Ų032.6 Ų32.60%016%0.162CC..EExtended strand (participates in β ladder)trans-119.3138.8-180-71.7-87.5000111L99 M103 K130 E276 I277 E282 F287 R308 R309L99-Y132 HydrophobicContact CD2-CE1 4.13Å; M103-Y132 HydrophobicContact SD-CE1 4.39Å; K130-Y132 HydrophobicContact CB-CD2 4.19Å; K130-Y132 HydrophobicContact CB-CE2 3.57Å; K130-Y132 HydrophobicContact CD-CE2 4.25Å; Y132-E276 CarbonylContact O-C 3.52Å; Y132-E276 VanDerWaalsContact O-CA 3.27Å; Y132-E276 WeakPolarHBondContact O-CA 3.4Å; Y132-I277 PolarHBondContact N-O 3.34Å; Y132-I277 PolarHBondContact O-N 3.41Å; Y132-E282 HydrophobicContact CE2-CG 3.69Å; Y132-E282 VanDerWaalsContact OH-CD 3.28Å; Y132-E282 PolarHBondContact OH-OE1 3.17Å; Y132-F287 HydrophobicContact CD1-CE2 4.23Å; Y132-F287 HydrophobicContact CD1-CZ 4.22Å; Y132-F287 HydrophobicContact CD2-CE1 4.48Å; Y132-F287 HydrophobicContact CD2-CE2 4.32Å; Y132-F287 AromaticContact CD2-CZ 3.6Å; Y132-F287 HydrophobicContact CD2-CZ 3.6Å; Y132-F287 HydrophobicContact CE1-CE2 4.25Å; Y132-F287 HydrophobicContact CE1-CZ 4.46Å; Y132-F287 HydrophobicContact CE2-CE2 4.32Å; Y132-F287 AromaticContact CE2-CZ 3.87Å; Y132-F287 HydrophobicContact CE2-CZ 3.87Å; Y132-F287 HydrophobicContact CG-CE2 4.26Å; Y132-F287 AromaticContact CG-CZ 3.78Å; Y132-F287 HydrophobicContact CG-CZ 3.78Å; Y132-R308 CarbonylContact C-O 3.57Å; Y132-R308 VanDerWaalsContact CA-O 3.29Å; Y132-R308 WeakPolarHBondContact CA-O 2.88Å; Y132-R309 HydrophobicContact CD1-CB 3.86Å; Y132-R309 HydrophobicContact CD1-CG 4.25Å; Y132-R309 HydrophobicContact CE1-CB 3.48Å; Y132-R309 VanDerWaalsContact CE1-CB 3.48Å; Y132-R309 HydrophobicContact CE1-CG 3.75Å; Y132-R309 VanDerWaalsContact OH-CD 3.24Å; Y132-R309 WeakPolarHBondContact OH-CD 3.47Å
133H96.9Very high89.6Confident45 Ų4530.6 Ų30.621%0.20816%0.16CC..EExtended strand (participates in β ladder)trans-99.9112.6163-73-109000108.6I275 R308 V310H133-I275 CarbonylContact C-O 3.42Å; H133-I275 WeakPolarHBondContact CA-O 3.18Å; H133-R308 PolarHBondContact N-O 2.9Å; H133-R308 PolarHBondContact O-N 2.89Å; H133-V310 HydrophobicContact CB-CG2 4.48Å; H133-V310 WeakPolarHBondContact CD2-CG2 3.08Å
134L96.6Very high90.1Very high0 Ų035.2 Ų35.20%019%0.185CC..EExtended strand (participates in β ladder)trans-99.5110.6175.7-56.8-172.3000108.8T274 I275 I277 F287 V291 L304 A307L134-T274 VanDerWaalsContact O-CA 3.31Å; L134-T274 WeakPolarHBondContact O-CA 3.5Å; L134-I275 PolarHBondContact N-O 3Å; L134-I275 PolarHBondContact O-N 2.94Å; L134-I277 HydrophobicContact CD1-CD1 3.45Å; L134-I277 VanDerWaalsContact CD1-CD1 3.45Å; L134-I277 HydrophobicContact CD1-CG1 4.26Å; L134-I277 HydrophobicContact CG-CD1 4.2Å; L134-F287 HydrophobicContact CD1-CB 4.2Å; L134-F287 HydrophobicContact CD1-CD1 3.57Å; L134-F287 HydrophobicContact CD1-CE1 4.18Å; L134-F287 HydrophobicContact CD1-CG 4.07Å; L134-F287 HydrophobicContact CD2-CD1 4.19Å; L134-F287 HydrophobicContact CD2-CD2 4.42Å; L134-F287 HydrophobicContact CD2-CE1 4.48Å; L134-F287 HydrophobicContact CD2-CG 4.16Å; L134-F287 HydrophobicContact CG-CD1 4.44Å; L134-V291 HydrophobicContact CD1-CG2 4.33Å; L134-L304 HydrophobicContact CB-CD1 3.91Å; L134-L304 HydrophobicContact CD1-CD1 4.43Å; L134-L304 HydrophobicContact CD2-CD1 4.07Å; L134-L304 HydrophobicContact CG-CD1 4.36Å; L134-A307 HydrophobicContact CD2-CB 3.59Å
135T96.5Very high90.8Very high31 Ų3131.6 Ų31.619%0.1917%0.172CC..EExtended strand (participates in β ladder)trans-86.1120.2170.272.70000108.4T274 S305 K306T135-T274 HydrophobicContact CG2-CG2 3.52Å; T135-S305 WeakPolarHBondContact O-CA 3.4Å; T135-S305 WeakPolarHBondContact O-CB 3.42Å; T135-S305 PolarHBondContact O-N 3.5Å; T135-K306 HydrophobicContact CG2-CB 4.4Å; T135-K306 PolarHBondContact N-O 3.43Å; T135-K306 PolarHBondContact O-N 2.85Å; T135-K306 VanDerWaalsContact O-N 3.15Å; T135-K306 WeakPolarHBondContact OG1-CA 3.46Å; T135-K306 WeakPolarHBondContact OG1-CB 3.48Å; T135-K306 WeakPolarHBondContact OG1-CG 3.18Å; T135-K306 PolarHBondContact OG1-N 3.41Å; T135-K306 PolarHBondContact OG1-O 2.81Å
136C95.6Very high91.7Very high0 Ų024.9 Ų24.90%014%0.142CC..EExtended strand (participates in β ladder)trans-111.3146.1-176.6-58.30000109F272 F273 V291 L303C136-F272 VanDerWaalsContact O-CA 3.26Å; C136-F272 WeakPolarHBondContact O-CA 3.24Å; C136-F273 HydrophobicContact CB-CD1 3.87Å; C136-F273 HydrophobicContact CB-CD2 4.4Å; C136-F273 HydrophobicContact CB-CE1 3.36Å; C136-F273 HydrophobicContact CB-CE2 3.98Å; C136-F273 HydrophobicContact CB-CG 4.37Å; C136-F273 HydrophobicContact CB-CZ 3.44Å; C136-F273 VanDerWaalsContact CB-CZ 3.44Å; C136-F273 PolarHBondContact N-O 3.47Å; C136-F273 PolarHBondContact O-N 3.15Å; C136-V291 HydrophobicContact CB-CG1 4.18Å; C136-V291 VanDerWaalsContact SG-CG2 3.52Å; C136-L303 CarbonylContact C-O 3.58Å; C136-L303 WeakPolarHBondContact CA-O 3.42Å
137M95.9Very high92.4Very high42 Ų4225.5 Ų25.521%0.20715%0.148CC..EExtended strand (participates in β ladder)trans-110.8127172.8179.8-169.1-108.300109R140 F272 T302 L303M137-R140 HydrophobicContact SD-CB 4.17Å; M137-F272 HydrophobicContact CB-CD1 3.86Å; M137-F272 HydrophobicContact CB-CE1 3.77Å; M137-F272 HydrophobicContact CE-CE1 3.46Å; M137-F272 VanDerWaalsContact CE-CE1 3.46Å; M137-F272 HydrophobicContact CE-CE2 4.32Å; M137-F272 HydrophobicContact CE-CZ 3.3Å; M137-F272 HydrophobicContact CG-CD1 4.2Å; M137-F272 HydrophobicContact CG-CE1 3.85Å; M137-F272 HydrophobicContact CG-CZ 4.5Å; M137-F272 HydrophobicContact SD-CE1 4.33Å; M137-T302 WeakPolarHBondContact O-CA 3.44Å; M137-L303 HydrophobicContact CB-CD1 3.77Å; M137-L303 HydrophobicContact CB-CG 3.97Å; M137-L303 PolarHBondContact N-O 3.2Å; M137-L303 PolarHBondContact O-N 3.27Å; M137-L303 HydrophobicContact SD-CD2 4.31Å
138M95.3Very high93Very high3 Ų330.5 Ų30.52%0.01517%0.172CC..EExtended strand (participates in β ladder)trans-87155175-60.3171.8-76.700111.4R140 W157 V160 I165 F268 P270 P271 F273 A301 T302M138-R140 VanDerWaalsContact C-N 3.33Å; M138-R140 PolarHBondContact O-N 3.47Å; M138-W157 HydrophobicContact CB-CB 3.8Å; M138-W157 HydrophobicContact CB-CG 4.26Å; M138-V160 HydrophobicContact SD-CB 4Å; M138-V160 HydrophobicContact SD-CG1 3.7Å; M138-I165 HydrophobicContact SD-CD1 4.38Å; M138-F268 HydrophobicContact CE-CE2 3.86Å; M138-P270 HydrophobicContact CE-CB 4.13Å; M138-P271 WeakPolarHBondContact CE-O 3.42Å; M138-P271 PolarHBondContact N-O 3.27Å; M138-F273 HydrophobicContact CE-CD1 3.8Å; M138-F273 HydrophobicContact CG-CD1 3.59Å; M138-F273 HydrophobicContact CG-CE1 3.35Å; M138-F273 HydrophobicContact CG-CZ 4.49Å; M138-F273 HydrophobicContact SD-CD1 3.76Å; M138-F273 HydrophobicContact SD-CE1 3.92Å; M138-A301 CarbonylContact C-O 3.44Å; M138-A301 WeakPolarHBondContact CA-O 3.44Å; M138-T302 HydrophobicContact CG-CG2 4.12Å
139G95.3Very high93.3Very high6 Ų630.5 Ų30.56%0.06218%0.175CC..SBendtrans81.44.6176.300000115.6R154 A155 A301G139-R154 CarbonylContact O-C 2.96Å; G139-R154 VanDerWaalsContact O-CA 3.23Å; G139-R154 WeakPolarHBondContact O-CA 3.35Å; G139-A155 WeakPolarHBondContact CA-O 3.09Å; G139-A155 PolarHBondContact O-N 2.91Å; G139-A301 PolarHBondContact N-O 3.04Å
140R95.1Very high93.8Very high60 Ų6034.1 Ų34.123%0.22620%0.198CC..EExtended strand (participates in β ladder)trans-139.6134.7-179.9-170-179.6164.9-159.2-7.6109.6M137 M138 S149 T151 L153 A301 T302 L303M137-R140 HydrophobicContact SD-CB 4.17Å; M138-R140 VanDerWaalsContact C-N 3.33Å; M138-R140 PolarHBondContact O-N 3.47Å; R140-S149 PolarHBondContact NH2-O 2.85Å; R140-S149 VanDerWaalsContact NH2-O 3.13Å; R140-T151 HydrophobicContact CG-CG2 3.65Å; R140-T151 PolarHBondContact NE-OG1 3.41Å; R140-T151 PolarHBondContact NH2-OG1 2.94Å; R140-L153 WeakPolarHBondContact CA-O 3.35Å; R140-A301 PolarHBondContact N-O 3.26Å; R140-T302 CarbonylContact O-C 3.43Å; R140-T302 VanDerWaalsContact O-C 3.3Å; R140-L303 HydrophobicContact CB-CD2 3.59Å; R140-L303 HydrophobicContact CG-CD2 3.49Å; R140-L303 VanDerWaalsContact CG-CD2 3.49Å; R140-L303 PolarHBondContact O-N 3.49Å
141A94.9Very high94Very high25 Ų2536.2 Ų36.221%0.20721%0.211CC..EExtended strand (participates in β ladder)trans-115.5145.5166.100000109.2L152 L153 A301A141-L152 PolarHBondContact O-N 3.17Å; A141-L153 HydrophobicContact CB-CB 4.28Å; A141-L153 PolarHBondContact N-O 2.93Å; A141-L153 PolarHBondContact O-N 3.06Å; A141-A301 HydrophobicContact CB-CB 4.03Å
142S94.1Very high93.9Very high8 Ų841.5 Ų41.56%0.05624%0.239CC..EExtended strand (participates in β ladder)trans-121.8160.7-179.1-160.90000110.6D144 G145 T146 S149 T150S142-D144 PolarHBondContact O-N 2.67Å; S142-G145 PolarHBondContact O-N 3.02Å; S142-G145 VanDerWaalsContact O-N 3.12Å; S142-T146 WeakPolarHBondContact CB-O 3.34Å; S142-T146 PolarHBondContact OG-O 3.08Å; S142-T146 VanDerWaalsContact OG-O 3.08Å; S142-S149 WeakPolarHBondContact OG-CB 3.47Å; S142-S149 PolarHBondContact OG-O 3.36Å; S142-S149 PolarHBondContact OG-OG 2.92Å; S142-T150 WeakPolarHBondContact CA-O 3.39Å; S142-T150 PolarHBondContact OG-O 3.46Å
143T93.1Very high93.8Very high75 Ų7546.7 Ų46.746%0.4627%0.266SS..THydrogen-bonded Turntrans-60.1-44.5-177.9-50.90000112.2T150 L152T143-T150 PolarHBondContact N-O 3.07Å; T143-T150 VanDerWaalsContact N-O 3.11Å; T143-T150 PolarHBondContact OG1-O 2.94Å; T143-T150 PolarHBondContact OG1-OG1 2.96Å; T143-L152 WeakPolarHBondContact OG1-CD2 3.4Å
144D91.3Very high93.8Very high100 Ų10053.9 Ų53.954%0.53529%0.291SS..THydrogen-bonded Turntrans-95.14.1177.6-48.5-43.1000112.4S142 T146 S149 I288S142-D144 PolarHBondContact O-N 2.67Å; D144-T146 PolarHBondContact O-N 3.39Å; D144-T146 VanDerWaalsContact O-N 3.12Å; D144-S149 PolarHBondContact N-OG 3.27Å; D144-S149 WeakPolarHBondContact OD2-CB 3.25Å; D144-S149 PolarHBondContact OD2-OG 3.26Å; D144-I288 WeakPolarHBondContact O-CG2 3.5Å
145G91.1Very high93.7Very high15 Ų1555.4 Ų55.416%0.15530%0.304CS..SBendtrans673-172.300000115.9S142 L304S142-G145 PolarHBondContact O-N 3.02Å; S142-G145 VanDerWaalsContact O-N 3.12Å; G145-L304 PolarHBondContact O-N 3.27Å
146T92Very high93.7Very high16 Ų1657.9 Ų57.910%0.09832%0.322CS..BIsolated β-bridgetrans-98.3161.4173.666.30000112F102 S142 D144 N148 S149 I288 L304F102-T146 HydrophobicContact CD2-CG2 4.46Å; F102-T146 HydrophobicContact CE2-CG2 4.41Å; F102-T146 HydrophobicContact CZ-CG2 4.47Å; S142-T146 WeakPolarHBondContact CB-O 3.34Å; S142-T146 PolarHBondContact OG-O 3.08Å; S142-T146 VanDerWaalsContact OG-O 3.08Å; D144-T146 PolarHBondContact O-N 3.39Å; D144-T146 VanDerWaalsContact O-N 3.12Å; T146-N148 VanDerWaalsContact C-N 3.29Å; T146-N148 PolarHBondContact O-N 3.45Å; T146-S149 PolarHBondContact O-OG 2.91Å; T146-S149 PolarHBondContact OG1-OG 3.33Å; T146-I288 HydrophobicContact CG2-CD1 3.83Å; T146-I288 HydrophobicContact CG2-CG1 4.16Å; T146-L304 CarbonylContact C-O 3.45Å; T146-L304 WeakPolarHBondContact CA-O 2.96Å
147A90.3Very high93.6Very high25 Ų2561.5 Ų61.521%0.20734%0.336CS..THydrogen-bonded Turntrans-70-20.217900000115.1L303 L304A147-L303 HydrophobicContact CB-CD1 3.78Å; A147-L304 PolarHBondContact N-O 2.84Å
148N89.5Confident93.6Very high134 Ų13469.8 Ų69.872%0.71737%0.365SS*.THydrogen-bonded Turntrans-76.9-27.1-174.5-66.60.1000112.6T146T146-N148 VanDerWaalsContact C-N 3.29Å; T146-N148 PolarHBondContact O-N 3.45Å
149S89.5Confident93.6Very high17 Ų1774.3 Ų74.312%0.11939%0.385CS..SBendtrans-85.8173.1-174.946.40000113.7R140 S142 D144 T146R140-S149 PolarHBondContact NH2-O 2.85Å; R140-S149 VanDerWaalsContact NH2-O 3.13Å; S142-S149 WeakPolarHBondContact OG-CB 3.47Å; S142-S149 PolarHBondContact OG-O 3.36Å; S142-S149 PolarHBondContact OG-OG 2.92Å; D144-S149 PolarHBondContact N-OG 3.27Å; D144-S149 WeakPolarHBondContact OD2-CB 3.25Å; D144-S149 PolarHBondContact OD2-OG 3.26Å; T146-S149 PolarHBondContact O-OG 2.91Å; T146-S149 PolarHBondContact OG1-OG 3.33Å
150T94.5Very high93.6Very high103 Ų10374.3 Ų74.363%0.63239%0.385SS*.PPolyproline II helixtrans-65.6140-177.952.90000111.3S142 T143 L152S142-T150 WeakPolarHBondContact CA-O 3.39Å; S142-T150 PolarHBondContact OG-O 3.46Å; T143-T150 PolarHBondContact N-O 3.07Å; T143-T150 VanDerWaalsContact N-O 3.11Å; T143-T150 PolarHBondContact OG1-O 2.94Å; T143-T150 PolarHBondContact OG1-OG1 2.96Å; T150-L152 PolarHBondContact O-N 3.39Å
151T95.4Very high93.6Very high49 Ų4977.4 Ų77.430%0.30140%0.402SS..EExtended strand (participates in β ladder)trans-71.1124.6179.2-51.90000110.2R140 R154R140-T151 HydrophobicContact CG-CG2 3.65Å; R140-T151 PolarHBondContact NE-OG1 3.41Å; R140-T151 PolarHBondContact NH2-OG1 2.94Å; T151-R154 HydrophobicContact CG2-CG 4.15Å
152L93.9Very high93.5Very high118 Ų11880.8 Ų80.862%0.61841%0.412SS*.EExtended strand (participates in β ladder)trans-84.3-50.7171.4-72.4-179.2000111.8A141 T143 T150A141-L152 PolarHBondContact O-N 3.17Å; T143-L152 WeakPolarHBondContact OG1-CD2 3.4Å; T150-L152 PolarHBondContact O-N 3.39Å
153L93.5Very high93.6Very high108 Ų10883.8 Ų83.857%0.56543%0.431SS*.EExtended strand (participates in β ladder)trans-141.9149.5-172.1-170.280000110.7R140 A141R140-L153 WeakPolarHBondContact CA-O 3.35Å; A141-L153 HydrophobicContact CB-CB 4.28Å; A141-L153 PolarHBondContact N-O 2.93Å; A141-L153 PolarHBondContact O-N 3.06Å
154R95.5Very high93.7Very high197 Ų19784.4 Ų84.474%0.74343%0.428SS*.EExtended strand (participates in β ladder)trans-115139.8165-64.4-175175.8107.9-2.4110.1G139 T151G139-R154 CarbonylContact O-C 2.96Å; G139-R154 VanDerWaalsContact O-CA 3.23Å; G139-R154 WeakPolarHBondContact O-CA 3.35Å; T151-R154 HydrophobicContact CG2-CG 4.15Å
155A94.9Very high93.9Very high32 Ų3279.8 Ų79.826%0.26440%0.403SS..  trans-131153.9178.900000110.4G139 A301G139-A155 WeakPolarHBondContact CA-O 3.09Å; G139-A155 PolarHBondContact O-N 2.91Å; A155-A301 HydrophobicContact CB-CB 3.82Å
156S96.3Very high94.1Very high82 Ų8281.6 Ų81.657%0.57341%0.409SS*.  trans-66.5143.8169.6-174.30000109.9H159 T300S156-H159 PolarHBondContact O-CE1 3.18Å; S156-T300 WeakPolarHBondContact O-CG2 3.49Å
157W95Very high94.3Very high77 Ų7786.4 Ų86.429%0.29243%0.43SS..  trans-137.2-6.1-17855.8-92.4000114.2M138 H159 V160 P270 P271 T300M138-W157 HydrophobicContact CB-CB 3.8Å; M138-W157 HydrophobicContact CB-CG 4.26Å; W157-H159 PolarHBondContact O-N 2.97Å; W157-V160 WeakPolarHBondContact O-CB 3.44Å; W157-V160 PolarHBondContact O-N 2.87Å; W157-P270 HydrophobicContact CE3-CB 4.3Å; W157-P270 HydrophobicContact CZ3-CB 3.74Å; W157-P271 HydrophobicContact CD2-CB 4.08Å; W157-P271 HydrophobicContact CE3-CB 4.35Å; W157-P271 HydrophobicContact CH2-CB 4.12Å; W157-P271 HydrophobicContact CZ2-CB 3.83Å; W157-P271 HydrophobicContact CZ2-CG 4.38Å; W157-P271 HydrophobicContact CZ3-CB 4.4Å; W157-T300 HydrophobicContact CB-CG2 4.11Å
158R95.3Very high94.6Very high215 Ų21585.9 Ų85.981%0.81143%0.425SS*.THydrogen-bonded Turntrans-62-20.4-174.5-65.6-175.2176.7-157.6-0.8113.5V160R158-V160 VanDerWaalsContact C-N 3.33Å
159H95.2Very high94.9Very high98 Ų9879.7 Ų79.745%0.45439%0.392SS..THydrogen-bonded Turntrans-79.5-12.5175.962.2-85.7000113.7S156 W157 Q161 L298 R299 T300S156-H159 PolarHBondContact O-CE1 3.18Å; W157-H159 PolarHBondContact O-N 2.97Å; H159-Q161 PolarHBondContact O-N 3.36Å; H159-L298 PolarHBondContact NE2-O 2.93Å; H159-R299 PolarHBondContact CE1-O 2.66Å; H159-R299 PolarHBondContact NE2-O 3Å; H159-T300 VanDerWaalsContact CE1-CG2 3.46Å; H159-T300 WeakPolarHBondContact CE1-CG2 3.26Å; H159-T300 WeakPolarHBondContact NE2-CG2 3.13Å
160V95.3Very high95.1Very high7 Ų784.3 Ų84.34%0.04241%0.414CS..  trans-82.2118.9179.7-177.90000109.4M138 W157 R158 I165 F268 L298 T300M138-V160 HydrophobicContact SD-CB 4Å; M138-V160 HydrophobicContact SD-CG1 3.7Å; W157-V160 WeakPolarHBondContact O-CB 3.44Å; W157-V160 PolarHBondContact O-N 2.87Å; R158-V160 VanDerWaalsContact C-N 3.33Å; V160-I165 HydrophobicContact CG1-CD1 3.94Å; V160-I165 HydrophobicContact CG1-CG1 3.78Å; V160-F268 WeakPolarHBondContact O-CZ 3.35Å; V160-L298 HydrophobicContact CG1-CD1 4.35Å; V160-L298 HydrophobicContact CG1-CD2 4.16Å; V160-L298 HydrophobicContact CG2-CB 4.18Å; V160-T300 HydrophobicContact CG2-CG2 3.29Å
161Q94.3Very high95.1Very high125 Ų12581 Ų8158%0.58440%0.4SS*.  trans-112.4160.5173.7-64.2-178.2-8.100110.1H159 C163 K164 I165H159-Q161 PolarHBondContact O-N 3.36Å; Q161-C163 VanDerWaalsContact C-N 3.25Å; Q161-C163 PolarHBondContact O-N 3.41Å; Q161-K164 WeakPolarHBondContact O-CB 3.22Å; Q161-K164 PolarHBondContact O-N 2.83Å; Q161-I165 PolarHBondContact O-N 3.32Å
162K94.5Very high95Very high96 Ų9679.2 Ų79.242%0.41739%0.389SS..Hα-helixtrans-49.1-44.7177.2-173.6-179.5176176.80112.9K164 I165 D166 F268K162-K164 PolarHBondContact O-N 2.78Å; K162-I165 WeakPolarHBondContact O-CB 3.35Å; K162-I165 PolarHBondContact O-N 3.5Å; K162-D166 PolarHBondContact O-N 3.46Å; K162-F268 HydrophobicContact CB-CB 4.3Å; K162-F268 HydrophobicContact CB-CD1 3.88Å; K162-F268 HydrophobicContact CB-CD2 4.45Å; K162-F268 HydrophobicContact CB-CE1 4.36Å; K162-F268 HydrophobicContact CB-CG 3.94Å; K162-F268 HydrophobicContact CD-CB 4.34Å; K162-F268 HydrophobicContact CG-CB 4.26Å; K162-F268 HydrophobicContact CG-CG 4.4Å
163C95.2Very high94.9Very high70 Ų7076.2 Ų76.247%0.47337%0.372SS..Hα-helixtrans-57.3-35.1179.260.90000113.2Q161 Q167Q161-C163 VanDerWaalsContact C-N 3.25Å; Q161-C163 PolarHBondContact O-N 3.41Å; C163-Q167 VanDerWaalsContact O-CG 3.3Å; C163-Q167 WeakPolarHBondContact O-CG 3.44Å; C163-Q167 PolarHBondContact O-N 3.24Å
164K95.2Very high94.7Very high89 Ų8973.9 Ų73.939%0.38737%0.368SS..Hα-helixtrans-72.9-36.6178.1-171.363-177.21740111.6Q161 K162 V168 L298Q161-K164 WeakPolarHBondContact O-CB 3.22Å; Q161-K164 PolarHBondContact O-N 2.83Å; K162-K164 PolarHBondContact O-N 2.78Å; K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 2.94Å; K164-V168 VanDerWaalsContact O-N 3.17Å; K164-L298 HydrophobicContact CG-CD2 4Å
165I95.7Very high94.5Very high2 Ų269.4 Ų69.41%0.0136%0.355CS..Hα-helixtrans-64.4-48.7175.3-63.7171.8000109.8M138 V160 Q161 K162 Q167 V168 L169 C265 F268 F273 L298M138-I165 HydrophobicContact SD-CD1 4.38Å; V160-I165 HydrophobicContact CG1-CD1 3.94Å; V160-I165 HydrophobicContact CG1-CG1 3.78Å; Q161-I165 PolarHBondContact O-N 3.32Å; K162-I165 WeakPolarHBondContact O-CB 3.35Å; K162-I165 PolarHBondContact O-N 3.5Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 3.37Å; I165-V168 PolarHBondContact O-N 2.95Å; I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.14Å; I165-L169 WeakPolarHBondContact O-CG 2.98Å; I165-L169 PolarHBondContact O-N 3.23Å; I165-C265 HydrophobicContact CG2-CB 4.22Å; I165-F268 HydrophobicContact CD1-CD2 3.53Å; I165-F268 HydrophobicContact CD1-CE2 3.41Å; I165-F268 VanDerWaalsContact CD1-CE2 3.41Å; I165-F273 HydrophobicContact CD1-CB 4.2Å; I165-F273 HydrophobicContact CD1-CD1 4.46Å; I165-F273 HydrophobicContact CD1-CD2 3.99Å; I165-F273 HydrophobicContact CD1-CE2 4.44Å; I165-F273 HydrophobicContact CD1-CG 3.98Å; I165-F273 HydrophobicContact CG2-CD2 4.17Å; I165-F273 HydrophobicContact CG2-CE2 4.24Å; I165-L298 HydrophobicContact CG1-CD1 4.15Å; I165-L298 HydrophobicContact CG1-CD2 3.93Å
166D96.1Very high94.2Very high53 Ų5369.9 Ų69.928%0.28335%0.351SS..Hα-helixtrans-58.8-43179.8-66.4-25.8000111.5K162 V168 L169 I170 C265K162-D166 PolarHBondContact O-N 3.46Å; D166-V168 VanDerWaalsContact C-N 3.34Å; D166-V168 PolarHBondContact O-N 3.07Å; D166-L169 PolarHBondContact O-N 3.01Å; D166-I170 WeakPolarHBondContact O-CD1 3.12Å; D166-I170 VanDerWaalsContact O-CG1 3.25Å; D166-I170 WeakPolarHBondContact O-CG1 3.03Å; D166-I170 PolarHBondContact O-N 2.91Å; D166-C265 VanDerWaalsContact OD1-CB 3.23Å; D166-C265 WeakPolarHBondContact OD1-CB 3.37Å
167Q96.2Very high93.7Very high117 Ų11768.9 Ų68.955%0.54734%0.339SS..Hα-helixtrans-58.1-43.4173.8-74.3173.12.500112.9C163 I165 G171C163-Q167 VanDerWaalsContact O-CG 3.3Å; C163-Q167 WeakPolarHBondContact O-CG 3.44Å; C163-Q167 PolarHBondContact O-N 3.24Å; I165-Q167 VanDerWaalsContact C-N 3.31Å; I165-Q167 PolarHBondContact O-N 3.37Å; Q167-G171 PolarHBondContact O-N 3.49Å; Q167-G171 VanDerWaalsContact O-N 3.09Å
168V95.7Very high93.2Very high15 Ų1567 Ų679%0.09134%0.34CS..Hα-helixtrans-68.4-39.7179.2169.60000111.1K164 I165 D166 G171 L172 L294 K297 L298K164-V168 WeakPolarHBondContact O-CG2 3.41Å; K164-V168 PolarHBondContact O-N 2.94Å; K164-V168 VanDerWaalsContact O-N 3.17Å; I165-V168 PolarHBondContact O-N 2.95Å; D166-V168 VanDerWaalsContact C-N 3.34Å; D166-V168 PolarHBondContact O-N 3.07Å; V168-G171 PolarHBondContact O-N 3.4Å; V168-L172 HydrophobicContact CG1-CD1 4.18Å; V168-L172 PolarHBondContact O-N 3.31Å; V168-L294 HydrophobicContact CG1-CD2 3.53Å; V168-K297 HydrophobicContact CG1-CB 3.66Å; V168-K297 HydrophobicContact CG1-CD 3.75Å; V168-K297 HydrophobicContact CG1-CG 4.34Å; V168-K297 HydrophobicContact CG2-CB 3.99Å; V168-L298 HydrophobicContact CB-CD2 4.31Å; V168-L298 HydrophobicContact CG2-CD2 3.85Å
169L95.3Very high92.7Very high3 Ų359.5 Ų59.52%0.01632%0.321CS..Hα-helixtrans-65.5-43.8177.5-70177000111.8I165 D166 G171 L172 Q173 M263 C265 I275 L294I165-L169 HydrophobicContact CG2-CD1 3.82Å; I165-L169 HydrophobicContact CG2-CG 4.14Å; I165-L169 WeakPolarHBondContact O-CG 2.98Å; I165-L169 PolarHBondContact O-N 3.23Å; D166-L169 PolarHBondContact O-N 3.01Å; L169-G171 VanDerWaalsContact C-N 3.31Å; L169-G171 PolarHBondContact O-N 3.47Å; L169-L172 PolarHBondContact O-N 2.9Å; L169-Q173 WeakPolarHBondContact O-CB 2.93Å; L169-Q173 PolarHBondContact O-N 3.32Å; L169-M263 HydrophobicContact CD2-CB 4.37Å; L169-C265 HydrophobicContact CD1-CB 3.82Å; L169-I275 HydrophobicContact CD1-CG1 4.42Å; L169-I275 HydrophobicContact CD1-CG2 4.24Å; L169-I275 HydrophobicContact CD2-CD1 3.95Å; L169-I275 HydrophobicContact CD2-CG1 4.39Å; L169-I275 HydrophobicContact CD2-CG2 4Å; L169-L294 HydrophobicContact CD2-CD2 4.37Å
170I94.4Very high91.9Very high114 Ų11455.1 Ų55.159%0.58530%0.301SS*.Hα-helixtrans-59.5-45.3174.3-67.8163000110.3D166 L172 Q173 A174D166-I170 WeakPolarHBondContact O-CD1 3.12Å; D166-I170 VanDerWaalsContact O-CG1 3.25Å; D166-I170 WeakPolarHBondContact O-CG1 3.03Å; D166-I170 PolarHBondContact O-N 2.91Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.1Å; I170-Q173 PolarHBondContact O-N 2.84Å; I170-A174 PolarHBondContact O-N 3.38Å
171G94.7Very high91Very high33 Ų3355.8 Ų55.834%0.3430%0.304SS..Hα-helixtrans-62.7-37.617700000113.2Q167 V168 L169 Q175Q167-G171 PolarHBondContact O-N 3.49Å; Q167-G171 VanDerWaalsContact O-N 3.09Å; V168-G171 PolarHBondContact O-N 3.4Å; L169-G171 VanDerWaalsContact C-N 3.31Å; L169-G171 PolarHBondContact O-N 3.47Å; G171-Q175 WeakPolarHBondContact O-CG 3.46Å; G171-Q175 PolarHBondContact O-N 2.96Å
172L93.2Very high90.2Very high12 Ų1254.7 Ų54.76%0.06330%0.302CS..Hα-helixtrans-69.4-44.1174.2-83170.2000112V168 L169 I170 A174 Q175 F176 M263 L294 K297V168-L172 HydrophobicContact CG1-CD1 4.18Å; V168-L172 PolarHBondContact O-N 3.31Å; L169-L172 PolarHBondContact O-N 2.9Å; I170-L172 VanDerWaalsContact C-N 3.33Å; I170-L172 PolarHBondContact O-N 3.1Å; L172-A174 VanDerWaalsContact C-N 3.27Å; L172-A174 PolarHBondContact O-N 3.16Å; L172-Q175 WeakPolarHBondContact O-CA 3.36Å; L172-Q175 WeakPolarHBondContact O-CB 3.34Å; L172-Q175 PolarHBondContact O-N 3.13Å; L172-F176 HydrophobicContact CB-CD2 4.39Å; L172-F176 HydrophobicContact CB-CE2 4.1Å; L172-F176 HydrophobicContact CD2-CE2 4.16Å; L172-F176 WeakPolarHBondContact O-CD2 3.44Å; L172-F176 PolarHBondContact O-N 3.46Å; L172-M263 HydrophobicContact CB-SD 4.48Å; L172-L294 HydrophobicContact CD1-CD2 3.37Å; L172-L294 HydrophobicContact CD1-CG 4.2Å; L172-K297 HydrophobicContact CD2-CD 4.48Å; L172-K297 HydrophobicContact CG-CD 4.38Å
173Q91.2Very high89.2Confident56 Ų5652.7 Ų52.726%0.26229%0.294SS..Hα-helixtrans-57.6-42.9176.5-172.3175.37.700110.9L169 I170 Q175 F176 N177 N261L169-Q173 WeakPolarHBondContact O-CB 2.93Å; L169-Q173 PolarHBondContact O-N 3.32Å; I170-Q173 PolarHBondContact O-N 2.84Å; Q173-Q175 VanDerWaalsContact C-N 3.31Å; Q173-Q175 PolarHBondContact O-N 3.1Å; Q173-F176 PolarHBondContact O-N 3.35Å; Q173-N177 PolarHBondContact O-N 2.73Å; Q173-N177 PolarHBondContact O-OD1 3.06Å; Q173-N177 VanDerWaalsContact O-OD1 3.09Å; Q173-N261 PolarHBondContact NE2-O 3.46Å
174A90.1Very high88Confident58 Ų5850.8 Ų50.848%0.47928%0.283SS..Hα-helixtrans-60.4-38.1173.500000113I170 L172 A178I170-A174 PolarHBondContact O-N 3.38Å; L172-A174 VanDerWaalsContact C-N 3.27Å; L172-A174 PolarHBondContact O-N 3.16Å; A174-A178 WeakPolarHBondContact O-CB 3.37Å; A174-A178 PolarHBondContact O-N 3.24Å; A174-A178 VanDerWaalsContact O-N 3.1Å
175Q90.4Very high86.9Confident104 Ų10449.6 Ų49.649%0.48630%0.296SS..Hα-helixtrans-66.4-40.6175.6-70.7173.8-4.600112.1G171 L172 Q173 S179G171-Q175 WeakPolarHBondContact O-CG 3.46Å; G171-Q175 PolarHBondContact O-N 2.96Å; L172-Q175 WeakPolarHBondContact O-CA 3.36Å; L172-Q175 WeakPolarHBondContact O-CB 3.34Å; L172-Q175 PolarHBondContact O-N 3.13Å; Q173-Q175 VanDerWaalsContact C-N 3.31Å; Q173-Q175 PolarHBondContact O-N 3.1Å; Q175-S179 PolarHBondContact O-N 2.99Å; Q175-S179 PolarHBondContact O-OG 3.39Å
176F89.4Confident86Confident42 Ų4251.3 Ų51.318%0.18431%0.305CS..Hα-helixtrans-68.3-44.3176.6-70.6-63.7000111.8L172 Q173 A178 S179 E180 V260 M263 F286 L290L172-F176 HydrophobicContact CB-CD2 4.39Å; L172-F176 HydrophobicContact CB-CE2 4.1Å; L172-F176 HydrophobicContact CD2-CE2 4.16Å; L172-F176 WeakPolarHBondContact O-CD2 3.44Å; L172-F176 PolarHBondContact O-N 3.46Å; Q173-F176 PolarHBondContact O-N 3.35Å; F176-A178 VanDerWaalsContact C-N 3.27Å; F176-A178 PolarHBondContact O-N 3.2Å; F176-S179 CarbonylContact O-C 3.53Å; F176-S179 WeakPolarHBondContact O-CA 3.46Å; F176-S179 WeakPolarHBondContact O-CB 2.99Å; F176-S179 PolarHBondContact O-N 3.35Å; F176-E180 WeakPolarHBondContact O-CB 3.49Å; F176-E180 PolarHBondContact O-N 3.16Å; F176-V260 HydrophobicContact CB-CB 4.18Å; F176-V260 HydrophobicContact CD1-CB 4.23Å; F176-V260 HydrophobicContact CD1-CG2 3.98Å; F176-V260 HydrophobicContact CD2-CB 4.26Å; F176-V260 HydrophobicContact CD2-CG2 4.39Å; F176-V260 HydrophobicContact CE1-CG2 4.09Å; F176-V260 HydrophobicContact CG-CB 3.96Å; F176-V260 HydrophobicContact CG-CG2 4.15Å; F176-V260 HydrophobicContact CZ-CG2 4.37Å; F176-M263 HydrophobicContact CD2-CE 3.45Å; F176-M263 VanDerWaalsContact CD2-CE 3.45Å; F176-M263 HydrophobicContact CD2-SD 4.25Å; F176-M263 HydrophobicContact CE2-CE 3.1Å; F176-M263 HydrophobicContact CE2-SD 3.99Å; F176-M263 HydrophobicContact CG-CE 4.43Å; F176-M263 HydrophobicContact CZ-CE 3.82Å; F176-F286 HydrophobicContact CE1-CE2 4.33Å; F176-F286 HydrophobicContact CE1-CZ 4.34Å; F176-F286 HydrophobicContact CZ-CZ 4.43Å; F176-L290 HydrophobicContact CZ-CD1 4.43Å
177N84.8Confident85.1Confident60 Ų6058 Ų5832%0.32133%0.326SS..Hα-helixtrans-58.9-40176-64.71.8000111.7Q173 E180 L181Q173-N177 PolarHBondContact O-N 2.73Å; Q173-N177 PolarHBondContact O-OD1 3.06Å; Q173-N177 VanDerWaalsContact O-OD1 3.09Å; N177-E180 PolarHBondContact O-N 3.41Å; N177-L181 WeakPolarHBondContact O-CG 3.18Å; N177-L181 PolarHBondContact O-N 3.4Å; N177-L181 VanDerWaalsContact O-N 3.09Å
178A85.4Confident84.2Confident37 Ų3754.3 Ų54.331%0.30631%0.312SS..Hα-helixtrans-66-38.717500000112.2A174 F176 L182 P188A174-A178 WeakPolarHBondContact O-CB 3.37Å; A174-A178 PolarHBondContact O-N 3.24Å; A174-A178 VanDerWaalsContact O-N 3.1Å; F176-A178 VanDerWaalsContact C-N 3.27Å; F176-A178 PolarHBondContact O-N 3.2Å; A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.3Å; A178-P188 HydrophobicContact CB-CG 4.44Å
179S83.8Confident83.6Confident59 Ų5961.8 Ų61.841%0.41335%0.352SS..Hα-helixtrans-70.3-35.6177.5-55.50000112.1Q175 F176 L182 Q183Q175-S179 PolarHBondContact O-N 2.99Å; Q175-S179 PolarHBondContact O-OG 3.39Å; F176-S179 CarbonylContact O-C 3.53Å; F176-S179 WeakPolarHBondContact O-CA 3.46Å; F176-S179 WeakPolarHBondContact O-CB 2.99Å; F176-S179 PolarHBondContact O-N 3.35Å; S179-L182 WeakPolarHBondContact O-CB 3.13Å; S179-L182 PolarHBondContact O-N 3.22Å; S179-Q183 WeakPolarHBondContact O-CG 3.28Å; S179-Q183 PolarHBondContact O-N 3.35Å
180E79.1Confident83Confident6 Ų662.9 Ų62.93%0.02836%0.36CS..Hα-helixtrans-65-44.1175.8178-174.5-164.800111.4F176 N177 L182 Q183 A184 L206 Y259F176-E180 WeakPolarHBondContact O-CB 3.49Å; F176-E180 PolarHBondContact O-N 3.16Å; N177-E180 PolarHBondContact O-N 3.41Å; E180-L182 PolarHBondContact O-N 2.81Å; E180-Q183 CarbonylContact O-C 3.57Å; E180-Q183 WeakPolarHBondContact O-CA 3.38Å; E180-Q183 WeakPolarHBondContact O-CB 3.17Å; E180-Q183 PolarHBondContact O-N 2.99Å; E180-A184 PolarHBondContact O-N 3.07Å; E180-L206 VanDerWaalsContact CD-CD1 3.41Å; E180-L206 HydrophobicContact CG-CB 3.85Å; E180-L206 HydrophobicContact CG-CD1 4.1Å; E180-L206 HydrophobicContact CG-CG 4.27Å; E180-L206 WeakPolarHBondContact OE1-CA 3.24Å; E180-L206 WeakPolarHBondContact OE1-CB 3.3Å; E180-L206 WeakPolarHBondContact OE1-CG 3.33Å; E180-L206 PolarHBondContact OE1-N 2.97Å; E180-L206 VanDerWaalsContact OE2-CD1 3.25Å; E180-L206 WeakPolarHBondContact OE2-CD1 3.29Å; E180-L206 WeakPolarHBondContact OE2-CG 3.44Å; E180-Y259 HydrophobicContact CB-CD2 4.15Å; E180-Y259 HydrophobicContact CB-CE2 4.02Å; E180-Y259 VanDerWaalsContact CD-OH 3.31Å; E180-Y259 HydrophobicContact CG-CD2 3.79Å; E180-Y259 HydrophobicContact CG-CE2 3.51Å; E180-Y259 WeakPolarHBondContact OE1-CE2 3.47Å; E180-Y259 PolarHBondContact OE1-OH 2.85Å; E180-Y259 WeakPolarHBondContact OE2-CE2 3.49Å; E180-Y259 PolarHBondContact OE2-OH 3.3Å
181L77.1Confident82.4Confident21 Ų2163.5 Ų63.511%0.1136%0.36CS..Hα-helixtrans-55.7-43.6173.2-73.1171.9000110.6N177 Q183 A184 G185 L186 P188 A193 L197 L206N177-L181 WeakPolarHBondContact O-CG 3.18Å; N177-L181 PolarHBondContact O-N 3.4Å; N177-L181 VanDerWaalsContact O-N 3.09Å; L181-Q183 PolarHBondContact O-N 3.37Å; L181-A184 CarbonylContact O-C 3.51Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 2.84Å; L181-G185 PolarHBondContact O-N 2.9Å; L181-L186 CarbonylContact C-O 3.3Å; L181-L186 HydrophobicContact CB-CB 4.44Å; L181-L186 HydrophobicContact CD2-CB 4.34Å; L181-L186 HydrophobicContact CD2-CD1 4.22Å; L181-L186 CarbonylContact O-C 3.49Å; L181-L186 WeakPolarHBondContact O-CA 3.04Å; L181-L186 WeakPolarHBondContact O-CB 3.31Å; L181-L186 PolarHBondContact O-N 3.31Å; L181-P188 HydrophobicContact CB-CG 4.47Å; L181-P188 HydrophobicContact CD1-CB 4.49Å; L181-A193 HydrophobicContact CD2-CB 4.33Å; L181-L197 HydrophobicContact CD2-CD1 4.35Å; L181-L206 HydrophobicContact CD2-CD1 4.17Å; L181-L206 HydrophobicContact CG-CD1 4.47Å
182L77.5Confident81.6Confident102 Ų10264.3 Ų64.353%0.53436%0.36SS..Hα-helixtrans-64.6-38.6175.8-65.5171.7000112.6A178 S179 E180 A184 G185 L186 P188A178-L182 WeakPolarHBondContact O-CG 3.38Å; A178-L182 PolarHBondContact O-N 3.3Å; S179-L182 WeakPolarHBondContact O-CB 3.13Å; S179-L182 PolarHBondContact O-N 3.22Å; E180-L182 PolarHBondContact O-N 2.81Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 2.6Å; L182-G185 PolarHBondContact O-N 3.31Å; L182-L186 PolarHBondContact N-O 3.13Å; L182-P188 HydrophobicContact CD2-CG 4.36Å; L182-P188 HydrophobicContact CG-CG 4.28Å
183Q72.2Confident80.9Confident54 Ų5463.9 Ų63.925%0.25236%0.358SS..Hα-helixtrans-63.7-36173.8-74.1174.5-9.500112S179 E180 L181 G185S179-Q183 WeakPolarHBondContact O-CG 3.28Å; S179-Q183 PolarHBondContact O-N 3.35Å; E180-Q183 CarbonylContact O-C 3.57Å; E180-Q183 WeakPolarHBondContact O-CA 3.38Å; E180-Q183 WeakPolarHBondContact O-CB 3.17Å; E180-Q183 PolarHBondContact O-N 2.99Å; L181-Q183 PolarHBondContact O-N 3.37Å; Q183-G185 PolarHBondContact O-N 3.46Å
184A71.1Confident80.4Confident29 Ų2968 Ų6824%0.2437%0.373CS..THydrogen-bonded Turntrans-731.1171.900000113.6E180 L181 L182 L186E180-A184 PolarHBondContact O-N 3.07Å; L181-A184 CarbonylContact O-C 3.51Å; L181-A184 WeakPolarHBondContact O-CB 3.44Å; L181-A184 PolarHBondContact O-N 2.84Å; L182-A184 VanDerWaalsContact C-N 3.3Å; L182-A184 PolarHBondContact O-N 2.6Å; A184-L186 HydrophobicContact CB-CD1 4.32Å; A184-L186 HydrophobicContact CB-CG 4.41Å; A184-L186 PolarHBondContact O-N 2.69Å
185G71.3Confident80Confident64 Ų6470.1 Ų70.166%0.6638%0.375SS*.THydrogen-bonded Turntrans76.27.7-176.800000114L181 L182 Q183L181-G185 PolarHBondContact O-N 2.9Å; L182-G185 PolarHBondContact O-N 3.31Å; Q183-G185 PolarHBondContact O-N 3.46Å
186L76.3Confident79.3Confident38 Ų3866.3 Ų66.320%0.19936%0.362CS..PPolyproline II helixtrans-96.5134.9-179-61.6171.7000110.6L181 L182 A184 A193 A196L181-L186 CarbonylContact C-O 3.3Å; L181-L186 HydrophobicContact CB-CB 4.44Å; L181-L186 HydrophobicContact CD2-CB 4.34Å; L181-L186 HydrophobicContact CD2-CD1 4.22Å; L181-L186 CarbonylContact O-C 3.49Å; L181-L186 WeakPolarHBondContact O-CA 3.04Å; L181-L186 WeakPolarHBondContact O-CB 3.31Å; L181-L186 PolarHBondContact O-N 3.31Å; L182-L186 PolarHBondContact N-O 3.13Å; A184-L186 HydrophobicContact CB-CD1 4.32Å; A184-L186 HydrophobicContact CB-CG 4.41Å; A184-L186 PolarHBondContact O-N 2.69Å; L186-A193 HydrophobicContact CB-CB 4.24Å; L186-A196 HydrophobicContact CD1-CB 3.83Å
187R78.3Confident78.6Confident195 Ų19567.5 Ų67.574%0.73637%0.37SS*.PPolyproline II helixtrans-79.6130.8173.6-172.5173.9176.6162.6-0.4110S190 A193R187-S190 VanDerWaalsContact O-CB 3.29Å; R187-S190 WeakPolarHBondContact O-CB 3.49Å; R187-S190 PolarHBondContact O-N 3.01Å; R187-S190 PolarHBondContact O-OG 3.42Å; R187-A193 WeakPolarHBondContact O-CB 3.33Å
188P78Confident78.4Confident38 Ų3868.3 Ų68.325%0.24738%0.379CS..THydrogen-bonded Turntrans-55142.6171.6-25.233.7000111.6A178 L181 L182 S190A178-P188 HydrophobicContact CB-CG 4.44Å; L181-P188 HydrophobicContact CB-CG 4.47Å; L181-P188 HydrophobicContact CD1-CB 4.49Å; L182-P188 HydrophobicContact CD2-CG 4.36Å; L182-P188 HydrophobicContact CG-CG 4.28Å; P188-S190 PolarHBondContact O-N 3.46Å
189N81.8Confident77.7Confident173 Ų17370.3 Ų70.393%0.92540%0.403SS*.THydrogen-bonded Turntrans60.623.5-177.6-52.6-32.7000115.1
190S82.3Confident76.9Confident26 Ų2670.5 Ų70.518%0.18240%0.395CS..  trans-92.1153.9169.664.30000111.2R187 P188 S192 A193 Y194R187-S190 VanDerWaalsContact O-CB 3.29Å; R187-S190 WeakPolarHBondContact O-CB 3.49Å; R187-S190 PolarHBondContact O-N 3.01Å; R187-S190 PolarHBondContact O-OG 3.42Å; P188-S190 PolarHBondContact O-N 3.46Å; S190-S192 PolarHBondContact O-N 3.24Å; S190-S192 PolarHBondContact OG-OG 3Å; S190-S192 VanDerWaalsContact OG-OG 3.05Å; S190-A193 PolarHBondContact O-N 3.39Å; S190-A193 VanDerWaalsContact OG-CB 3.27Å; S190-A193 WeakPolarHBondContact OG-CB 3.44Å; S190-A193 PolarHBondContact OG-N 2.74Å; S190-A193 VanDerWaalsContact OG-N 3.13Å; S190-Y194 PolarHBondContact O-N 2.83Å
191Q83.6Confident76.3Confident126 Ų12677.6 Ų77.659%0.58943%0.428SS*.Hα-helixtrans-60.8-35173.1-178.662.712.100111.8Y194 L195Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 3.35Å; Q191-L195 HydrophobicContact CG-CD1 4.23Å; Q191-L195 HydrophobicContact CG-CG 4.46Å; Q191-L195 WeakPolarHBondContact O-CG 3.31Å; Q191-L195 PolarHBondContact O-N 3.08Å
192S77.3Confident75.6Confident50 Ų5081.9 Ų81.935%0.3547%0.466SS..Hα-helixtrans-65.2-42.8176.653.60000111.8S190 Y194 L195 A196S190-S192 PolarHBondContact O-N 3.24Å; S190-S192 PolarHBondContact OG-OG 3Å; S190-S192 VanDerWaalsContact OG-OG 3.05Å; S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.48Å; S192-L195 PolarHBondContact O-N 2.97Å; S192-A196 WeakPolarHBondContact O-CB 3.48Å; S192-A196 PolarHBondContact O-N 2.76Å
193A77.4Confident74.8Confident3 Ų379.7 Ų79.73%0.02547%0.469CS..Hα-helixtrans-61.2-41.5172.900000111.8L181 L186 R187 S190 A196 L197L181-A193 HydrophobicContact CD2-CB 4.33Å; L186-A193 HydrophobicContact CB-CB 4.24Å; R187-A193 WeakPolarHBondContact O-CB 3.33Å; S190-A193 PolarHBondContact O-N 3.39Å; S190-A193 VanDerWaalsContact OG-CB 3.27Å; S190-A193 WeakPolarHBondContact OG-CB 3.44Å; S190-A193 PolarHBondContact OG-N 2.74Å; S190-A193 VanDerWaalsContact OG-N 3.13Å; A193-A196 PolarHBondContact O-N 3.36Å; A193-L197 WeakPolarHBondContact O-CB 3.46Å; A193-L197 VanDerWaalsContact O-CG 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.18Å; A193-L197 VanDerWaalsContact O-N 3.14Å
194Y81.2Confident74.5Confident143 Ų14378.2 Ų78.256%0.56147%0.465SS*.Hα-helixtrans-60.7-51.4176.5175.4-98.6000112.1S190 Q191 S192 A196 L197 C198S190-Y194 PolarHBondContact O-N 2.83Å; Q191-Y194 WeakPolarHBondContact O-CB 3.47Å; Q191-Y194 PolarHBondContact O-N 3.35Å; S192-Y194 VanDerWaalsContact C-N 3.32Å; S192-Y194 PolarHBondContact O-N 3.48Å; Y194-A196 VanDerWaalsContact C-N 3.3Å; Y194-A196 PolarHBondContact O-N 3.49Å; Y194-L197 PolarHBondContact O-N 3.01Å; Y194-C198 WeakPolarHBondContact CE1-SG 3.46Å; Y194-C198 PolarHBondContact O-N 3.45Å; Y194-C198 PolarHBondContact O-SG 2.88Å; Y194-C198 VanDerWaalsContact O-SG 3.32Å
195L82.2Confident74.1Confident103 Ų10378.5 Ų78.554%0.53946%0.462SS..Hα-helixtrans-61.1-38.1179-68.1174.2000112.3Q191 S192 L197 C198Q191-L195 HydrophobicContact CG-CD1 4.23Å; Q191-L195 HydrophobicContact CG-CG 4.46Å; Q191-L195 WeakPolarHBondContact O-CG 3.31Å; Q191-L195 PolarHBondContact O-N 3.08Å; S192-L195 PolarHBondContact O-N 2.97Å; L195-L197 PolarHBondContact O-N 3.12Å; L195-C198 PolarHBondContact O-N 3.12Å
196A74.8Confident73.6Confident24 Ų2476.4 Ų76.420%0.19844%0.435CS..Hα-helixtrans-65.7-25.2175.400000113.4L186 S192 A193 Y194L186-A196 HydrophobicContact CD1-CB 3.83Å; S192-A196 WeakPolarHBondContact O-CB 3.48Å; S192-A196 PolarHBondContact O-N 2.76Å; A193-A196 PolarHBondContact O-N 3.36Å; Y194-A196 VanDerWaalsContact C-N 3.3Å; Y194-A196 PolarHBondContact O-N 3.49Å
197L76.1Confident73Confident67 Ų6778.7 Ų78.735%0.35144%0.442SS..Hα-helixtrans-92.5-28.4179.4-69.8171.6000113.3L181 A193 Y194 L195 G199 R200 L206L181-L197 HydrophobicContact CD2-CD1 4.35Å; A193-L197 WeakPolarHBondContact O-CB 3.46Å; A193-L197 VanDerWaalsContact O-CG 3.23Å; A193-L197 WeakPolarHBondContact O-CG 3.44Å; A193-L197 PolarHBondContact O-N 3.18Å; A193-L197 VanDerWaalsContact O-N 3.14Å; Y194-L197 PolarHBondContact O-N 3.01Å; L195-L197 PolarHBondContact O-N 3.12Å; L197-G199 PolarHBondContact O-N 2.94Å; L197-R200 WeakPolarHBondContact O-CB 3.37Å; L197-R200 PolarHBondContact O-N 3.46Å; L197-L206 HydrophobicContact CD2-CD1 3.94Å; L197-L206 HydrophobicContact CD2-CD2 3.42Å; L197-L206 VanDerWaalsContact CD2-CD2 3.42Å; L197-L206 HydrophobicContact CD2-CG 4.34Å
198C80Confident71.6Confident77 Ų7772.3 Ų72.352%0.5243%0.425SS..Hα-helixtrans-59.8-28.8-177.5-76.50000114.5Y194 L195 R200Y194-C198 WeakPolarHBondContact CE1-SG 3.46Å; Y194-C198 PolarHBondContact O-N 3.45Å; Y194-C198 PolarHBondContact O-SG 2.88Å; Y194-C198 VanDerWaalsContact O-SG 3.32Å; L195-C198 PolarHBondContact O-N 3.12Å; C198-R200 VanDerWaalsContact C-N 3.34Å
199G69.6Low69.9Low79 Ų7974.2 Ų74.281%0.81444%0.436SS*.THydrogen-bonded Turntrans-86.80.7177.500000114.7L197L197-G199 PolarHBondContact O-N 2.94Å
200R67.6Low67.9Low63 Ų6374 Ų7424%0.23843%0.427CS..SBendtrans-103.8138.5-171-87-178.7153.1141.8-2.8111.4L197 C198 S204 D205L197-R200 WeakPolarHBondContact O-CB 3.37Å; L197-R200 PolarHBondContact O-N 3.46Å; C198-R200 VanDerWaalsContact C-N 3.34Å; R200-S204 VanDerWaalsContact CB-OG 3.25Å; R200-S204 WeakPolarHBondContact CB-OG 3.36Å; R200-D205 VanDerWaalsContact CZ-O 3.29Å; R200-D205 PolarHBondContact NE-O 2.88Å; R200-D205 PolarHBondContact NH2-O 3.44Å
201E66.2Low65.6Low154 Ų15475.5 Ų75.572%0.7244%0.436SS*.PPolyproline II helixtrans-65.3147.4168.6-69.2179175.800109.9G203 S204E201-G203 PolarHBondContact O-N 3.18Å; E201-S204 PolarHBondContact N-OG 2.9Å; E201-S204 WeakPolarHBondContact O-CB 3.35Å; E201-S204 PolarHBondContact O-N 2.71Å; E201-S204 PolarHBondContact O-OG 3.4Å
202A63.9Low63.2Low111 Ų11174.2 Ų74.292%0.91744%0.437SS*.THydrogen-bonded Turntrans-59.2125.817700000110.6S204A202-S204 VanDerWaalsContact C-N 3.3Å
203G59.4Low61.3Low57 Ų5782.1 Ų82.159%0.58846%0.459SS*.THydrogen-bonded Turntrans78.89.6-175.900000114.7E201 N261E201-G203 PolarHBondContact O-N 3.18Å; G203-N261 PolarHBondContact O-ND2 3.02Å; G203-N261 PolarHBondContact O-OD1 3.1Å
204S65.8Low59.2Low23 Ų2388.5 Ų88.516%0.16149%0.493CS..  trans-71.5146.316965.30000111.4R200 E201 A202 L206R200-S204 VanDerWaalsContact CB-OG 3.25Å; R200-S204 WeakPolarHBondContact CB-OG 3.36Å; E201-S204 PolarHBondContact N-OG 2.9Å; E201-S204 WeakPolarHBondContact O-CB 3.35Å; E201-S204 PolarHBondContact O-N 2.71Å; E201-S204 PolarHBondContact O-OG 3.4Å; A202-S204 VanDerWaalsContact C-N 3.3Å; S204-L206 PolarHBondContact O-N 3.49Å
205D62.2Low57Low35 Ų3587.2 Ų87.219%0.18750%0.5CS..  trans-56.4121.1179.5-179.97.7000112.5R200 R207R200-D205 VanDerWaalsContact CZ-O 3.29Å; R200-D205 PolarHBondContact NE-O 2.88Å; R200-D205 PolarHBondContact NH2-O 3.44Å; D205-R207 VanDerWaalsContact C-N 3.33Å; D205-R207 WeakPolarHBondContact OD1-CB 3.47Å; D205-R207 WeakPolarHBondContact OD1-CG 3.3Å; D205-R207 PolarHBondContact OD1-N 3.07Å; D205-R207 IonicContact OD1-NE 3.51Å; D205-R207 IonicContact OD2-CZ 2.71Å; D205-R207 IonicContact OD2-NE 3.6Å; D205-R207 PolarHBondContact OD2-NE 3.46Å; D205-R207 IonicContact OD2-NH2 2.92Å; D205-R207 PolarHBondContact OD2-NH2 3.34Å
206L62.6Low54.4Low19 Ų1988.9 Ų88.910%0.09951%0.505CS..  trans-92.318.9175.1-25.8171.1000113.6E180 L181 L197 S204E180-L206 VanDerWaalsContact CD-CD1 3.41Å; E180-L206 HydrophobicContact CG-CB 3.85Å; E180-L206 HydrophobicContact CG-CD1 4.1Å; E180-L206 HydrophobicContact CG-CG 4.27Å; E180-L206 WeakPolarHBondContact OE1-CA 3.24Å; E180-L206 WeakPolarHBondContact OE1-CB 3.3Å; E180-L206 WeakPolarHBondContact OE1-CG 3.33Å; E180-L206 PolarHBondContact OE1-N 2.97Å; E180-L206 VanDerWaalsContact OE2-CD1 3.25Å; E180-L206 WeakPolarHBondContact OE2-CD1 3.29Å; E180-L206 WeakPolarHBondContact OE2-CG 3.44Å; L181-L206 HydrophobicContact CD2-CD1 4.17Å; L181-L206 HydrophobicContact CG-CD1 4.47Å; L197-L206 HydrophobicContact CD2-CD1 3.94Å; L197-L206 HydrophobicContact CD2-CD2 3.42Å; L197-L206 VanDerWaalsContact CD2-CD2 3.42Å; L197-L206 HydrophobicContact CD2-CG 4.34Å; S204-L206 PolarHBondContact O-N 3.49Å
207R62.6Low52.5Low87 Ų8794.4 Ų94.433%0.32853%0.531SS..  trans-37.9137.7170.5-95.1-171.5-56.5175.1-3.9111.7S126 D205 V209 I280S126-R207 PolarHBondContact O-NH1 2.99Å; D205-R207 VanDerWaalsContact C-N 3.33Å; D205-R207 WeakPolarHBondContact OD1-CB 3.47Å; D205-R207 WeakPolarHBondContact OD1-CG 3.3Å; D205-R207 PolarHBondContact OD1-N 3.07Å; D205-R207 IonicContact OD1-NE 3.51Å; D205-R207 IonicContact OD2-CZ 2.71Å; D205-R207 IonicContact OD2-NE 3.6Å; D205-R207 PolarHBondContact OD2-NE 3.46Å; D205-R207 IonicContact OD2-NH2 2.92Å; D205-R207 PolarHBondContact OD2-NH2 3.34Å; R207-V209 PolarHBondContact O-N 3.47Å; R207-V209 VanDerWaalsContact O-N 3.15Å; R207-I280 HydrophobicContact CG-CD1 4.45Å
208P48.2Very low50.5Low61 Ų6197.5 Ų97.540%0.39654%0.539SS..  trans-57.4122.3162.3-7.618.9000107.3K210P208-K210 PolarHBondContact O-N 2.94Å
209V43.7Very low48.5Very low78 Ų78101.4 Ų101.447%0.47355%0.547SS..  trans-52.4134150.3-177.80000104.5R207 M411R207-V209 PolarHBondContact O-N 3.47Å; R207-V209 VanDerWaalsContact O-N 3.15Å; V209-M411 HydrophobicContact CG2-CB 4.15Å; V209-M411 HydrophobicContact CG2-CE 3.99Å; V209-M411 HydrophobicContact CG2-CG 4.11Å; V209-M411 HydrophobicContact CG2-SD 3.16Å; V209-M411 WeakPolarHBondContact CG2-SD 3.16Å
210K38.5Very low47.2Very low169 Ų169100.5 Ų100.574%0.73554%0.537SS*.  trans-28.1117.8172-154.6179.3-166.5-179.60107.3P208 T212P208-K210 PolarHBondContact O-N 2.94Å; K210-T212 PolarHBondContact O-N 3.47Å
211P35.3Very low46.2Very low57 Ų57105 Ų10537%0.3756%0.561SS.*  trans-49.5131.1-17821.4-31.5000105.2R213P211-R213 VanDerWaalsContact C-N 3.28Å; P211-R213 PolarHBondContact O-N 2.95Å
212T32.9Very low45.2Very low99 Ų99102.8 Ų102.861%0.60755%0.551SS**  trans-46.5108.7170.9-38.50000104.2K210 D214K210-T212 PolarHBondContact O-N 3.47Å; T212-D214 HydrophobicContact CG2-CB 3.99Å; T212-D214 PolarHBondContact O-N 2.61Å
213R36.6Very low44.6Very low215 Ų215103 Ų10381%0.81153%0.533SS*.SBendtrans-59.996.9152.6-84.6-176.2166.9172.1-5.1100.8P211P211-R213 VanDerWaalsContact C-N 3.28Å; P211-R213 PolarHBondContact O-N 2.95Å
214D34.1Very low44.7Very low138 Ų138107.2 Ų107.274%0.73854%0.541SS*.  trans160.840.1167.1-69-19.2000110.2T212T212-D214 HydrophobicContact CG2-CB 3.99Å; T212-D214 PolarHBondContact O-N 2.61Å
215V34.7Very low44.3Very low116 Ų116109.7 Ų109.770%0.70355%0.552SS**  -13093.7128.5-172.10000103.1D217V215-D217 PolarHBondContact O-N 3.28Å
216E28Very low44.6Very low137 Ų137110 Ų11064%0.6456%0.558SS**  trans-51.8103.6150.7-70178.8170.100103.9Y218E216-Y218 WeakPolarHBondContact O-CD2 3.48Å; E216-Y218 PolarHBondContact O-N 3.36Å
217D33.6Very low44.7Very low140 Ų140113.4 Ų113.475%0.74958%0.581SS**  trans-55.790.5154-84.6-17.7000102.6V215 K219V215-D217 PolarHBondContact O-N 3.28Å; D217-K219 PolarHBondContact O-N 2.91Å
218Y35Very low44.8Very low133 Ų133118.7 Ų118.752%0.52260%0.601SS.*  trans-54.1101.6174.5-77.8-77.2000103.9E216 G220 Q223E216-Y218 WeakPolarHBondContact O-CD2 3.48Å; E216-Y218 PolarHBondContact O-N 3.36Å; Y218-G220 VanDerWaalsContact C-N 3.28Å; Y218-G220 PolarHBondContact O-N 3.47Å; Y218-Q223 HydrophobicContact CD1-CG 3.4Å; Y218-Q223 VanDerWaalsContact CD2-NE2 3.3Å; Y218-Q223 VanDerWaalsContact CE1-CD 3.44Å; Y218-Q223 HydrophobicContact CE1-CG 3.56Å; Y218-Q223 HydrophobicContact CG-CG 4.12Å; Y218-Q223 VanDerWaalsContact CG-NE2 3.25Å
219K37.4Very low45.7Very low158 Ų158120.6 Ų120.669%0.68760%0.604SS**  trans-52.5109.4161-73.2-174.3177.2178.40102.4D217 E221 E222D217-K219 PolarHBondContact O-N 2.91Å; K219-E221 PolarHBondContact O-N 3.25Å; K219-E222 PolarHBondContact O-N 3.44Å
220G42.1Very low46.5Very low60 Ų60123.4 Ų123.462%0.61961%0.606SS**THydrogen-bonded Turntrans-61.515.6-16000000116.2Y218Y218-G220 VanDerWaalsContact C-N 3.28Å; Y218-G220 PolarHBondContact O-N 3.47Å
221E47.1Very low46.9Very low158 Ų158121.1 Ų121.174%0.73861%0.609SS**THydrogen-bonded Turntrans-113.8-26.8179.5-61.4-178.1172.800112.2K219 Q223 L224K219-E221 PolarHBondContact O-N 3.25Å; E221-Q223 PolarHBondContact O-N 3.01Å; E221-L224 WeakPolarHBondContact O-CB 3.39Å; E221-L224 PolarHBondContact O-N 3.07Å; E221-L224 VanDerWaalsContact O-N 3.15Å
222E45.3Very low47.5Very low107 Ų107126.3 Ų126.350%0.563%0.63SS.*G310 helixtrans-73.2-28.6-175.8-70.9-177.6-163.600113.6K219 L224 L225K219-E222 PolarHBondContact O-N 3.44Å; E222-L224 PolarHBondContact O-N 3.25Å; E222-L225 PolarHBondContact O-N 3.21Å
223Q51.6Low48.3Very low117 Ų117127 Ų12755%0.54764%0.636SS.*G310 helixtrans-69.7-18.1172-85.3168.5-28.800113.4Y218 E221 L225Y218-Q223 HydrophobicContact CD1-CG 3.4Å; Y218-Q223 VanDerWaalsContact CD2-NE2 3.3Å; Y218-Q223 VanDerWaalsContact CE1-CD 3.44Å; Y218-Q223 HydrophobicContact CE1-CG 3.56Å; Y218-Q223 HydrophobicContact CG-CG 4.12Å; Y218-Q223 VanDerWaalsContact CG-NE2 3.25Å; E221-Q223 PolarHBondContact O-N 3.01Å; Q223-L225 VanDerWaalsContact C-N 3.33Å
224L62Low48.9Very low145 Ų145123 Ų12376%0.75963%0.631SS**G310 helixtrans-82.5-15.8175.3-58.4177.4000111.9E221 E222E221-L224 WeakPolarHBondContact O-CB 3.39Å; E221-L224 PolarHBondContact O-N 3.07Å; E221-L224 VanDerWaalsContact O-N 3.15Å; E222-L224 PolarHBondContact O-N 3.25Å
225L57.3Low49.5Very low74 Ų74125.4 Ų125.439%0.38764%0.638SS.*SBendtrans-86.8134.7179.2-67.9169.2000110.8E222 Q223 E229E222-L225 PolarHBondContact O-N 3.21Å; Q223-L225 VanDerWaalsContact C-N 3.33Å; L225-E229 HydrophobicContact CB-CB 4.2Å; L225-E229 HydrophobicContact CD2-CB 4.11Å
226S67.3Low49.7Very low43 Ų43126.3 Ų126.330%0.30164%0.639SS.*  trans-67.5153.5176.3-610000110.7W228 E229S226-W228 PolarHBondContact O-N 3.27Å; S226-E229 PolarHBondContact N-OE2 3.5Å; S226-E229 WeakPolarHBondContact O-CB 3.27Å; S226-E229 PolarHBondContact O-N 3.04Å
227P64.9Low50.4Low90 Ų90131.2 Ų131.258%0.58465%0.652SS**THydrogen-bonded Turntrans-51.3-28.6-173.4-30.636000116.8
228W65.8Low50.6Low198 Ų198130.5 Ų130.575%0.7565%0.648SS**THydrogen-bonded Turntrans-89.4-8.3178.356.284.6000114.5S226S226-W228 PolarHBondContact O-N 3.27Å
229E66.8Low51.1Low101 Ų101129.8 Ų129.847%0.47266%0.659SS.*THydrogen-bonded Turntrans-90.1-9.9176.2-64.4175146.800112.2L225 S226L225-E229 HydrophobicContact CB-CB 4.2Å; L225-E229 HydrophobicContact CD2-CB 4.11Å; S226-E229 PolarHBondContact N-OE2 3.5Å; S226-E229 WeakPolarHBondContact O-CB 3.27Å; S226-E229 PolarHBondContact O-N 3.04Å
230R59.1Low51.3Low136 Ų136132 Ų13251%0.51367%0.669SS.*SBendtrans-67.7132174.7-59.4-170.8-146.8-154.75109.5M232R230-M232 PolarHBondContact O-N 2.9Å
231P47.9Very low51.1Low122 Ų122134.2 Ų134.279%0.79267%0.671SS**PPolyproline II helixtrans-57.6128.5170.8-20.130.8000109.9
232M47Very low50.9Low165 Ų165134.1 Ų134.181%0.81367%0.673SS**PPolyproline II helixtrans-62.8135.7173-74.4-70.6172.300109.3R230 D234R230-M232 PolarHBondContact O-N 2.9Å; M232-D234 PolarHBondContact O-N 3.47Å
233P49.7Very low50.5Low113 Ų113133 Ų13373%0.73468%0.676SS**PPolyproline II helixtrans-60.4123.1175.723.2-30.2000109.2E235P233-E235 PolarHBondContact O-N 3.16Å
234D51Low49.8Very low131 Ų131134.1 Ų134.170%0.70169%0.686SS**  trans-42.5104.1-174-162.11.4000112.3M232 N236M232-D234 PolarHBondContact O-N 3.47Å; D234-N236 PolarHBondContact O-N 3.35Å; D234-N236 VanDerWaalsContact O-N 3.15Å
235E45.3Very low48.9Very low190 Ų190137.4 Ų137.489%0.88869%0.688SS**SBendtrans-69.5-4.2-177.9-83.2-171.2155.300113.1P233 R237P233-E235 PolarHBondContact O-N 3.16Å; E235-R237 PolarHBondContact O-N 3.43Å
236N40.2Very low48.3Very low135 Ų135140.9 Ų140.972%0.72270%0.7SS**  trans-100.360.3-176.6-73.8-32.8000113.4D234 N238D234-N236 PolarHBondContact O-N 3.35Å; D234-N236 VanDerWaalsContact O-N 3.15Å; N236-N238 VanDerWaalsContact C-N 3.32Å; N236-N238 PolarHBondContact O-N 3.15Å
237R41.3Very low46.9Very low240 Ų240146.8 Ų146.891%0.90672%0.717SS**  trans-77.284.5166-75.7-171.2-180-167.80.1110.8E235E235-R237 PolarHBondContact O-N 3.43Å
238N38.6Very low45.9Very low125 Ų125149.5 Ų149.567%0.66872%0.721SS**  trans-74.9125.6171.2-118.8-21.7000110.5N236 K240 T241N236-N238 VanDerWaalsContact C-N 3.32Å; N236-N238 PolarHBondContact O-N 3.15Å; N238-K240 PolarHBondContact O-N 2.9Å; N238-K240 VanDerWaalsContact O-N 3.14Å; N238-T241 PolarHBondContact O-OG1 3.16Å
239P45.4Very low44.6Very low118 Ų118146.8 Ų146.877%0.76671%0.711SS**THydrogen-bonded Turntrans-73.6-2.6-171.425.5-32.9000115.7
240K41.4Very low43.4Very low203 Ų203148.5 Ų148.588%0.88372%0.719SS**THydrogen-bonded Turntrans-89.6-3-179.5-71.6-172.2176.8179.10114.8N238N238-K240 PolarHBondContact O-N 2.9Å; N238-K240 VanDerWaalsContact O-N 3.14Å
241T38.2Very low42.4Very low108 Ų108147.2 Ų147.266%0.66372%0.719SS**  trans-104.685.8170.911.30000107.6N238 P243N238-T241 PolarHBondContact O-OG1 3.16Å; T241-P243 VanDerWaalsContact O-CD 3.3Å; T241-P243 WeakPolarHBondContact O-CD 2.74Å; T241-P243 VanDerWaalsContact O-N 3.07Å
242I42Very low42.5Very low155 Ų155144.6 Ų144.680%0.79570%0.696SS**  trans-54.1117.1157.7-60.4165.8000104.4N244I242-N244 PolarHBondContact O-N 3.38Å
243P38.1Very low42.5Very low85 Ų85143.7 Ų143.755%0.55268%0.684SS**  trans-58.3123.1-175.719.7-28.9000107.3T241 R245T241-P243 VanDerWaalsContact O-CD 3.3Å; T241-P243 WeakPolarHBondContact O-CD 2.74Å; T241-P243 VanDerWaalsContact O-N 3.07Å; P243-R245 HydrophobicContact CB-CG 4.42Å; P243-R245 HydrophobicContact CG-CG 4.3Å; P243-R245 PolarHBondContact O-N 2.81Å
244N36.8Very low42.4Very low140 Ų140144.9 Ų144.975%0.74967%0.673SS**  trans-65.581.9166.4-159-0000104.8I242 K246I242-N244 PolarHBondContact O-N 3.38Å; N244-K246 PolarHBondContact O-N 3Å
245R43.6Very low42.5Very low213 Ų213143.1 Ų143.180%0.80466%0.661SS**  trans-65.148.5-170.3-100.9-170.4-176.91692.8111.7P243P243-R245 HydrophobicContact CB-CG 4.42Å; P243-R245 HydrophobicContact CG-CG 4.3Å; P243-R245 PolarHBondContact O-N 2.81Å
246K43.1Very low43.3Very low148 Ų148140.6 Ų140.664%0.64365%0.651SS**SBendtrans-78.6-38.8-173.4-91.6-175.4174.8179.60111.9N244N244-K246 PolarHBondContact O-N 3Å
247Y39.4Very low45Very low167 Ų167135.6 Ų135.666%0.65563%0.628SS**  trans-162.295.8178.1-59.7-71.3000112.1R253Y247-R253 VanDerWaalsContact CD1-CZ 3.42Å
248E43.1Very low47Very low146 Ų146126.2 Ų126.268%0.68260%0.599SS**SBendtrans-114.5-27.9168.3-76.6-170.1169.300116.5
249W38.4Very low49.1Very low142 Ų142120.9 Ų120.954%0.53857%0.569SS.*  trans-137.6141.2173.3-57.3-59.7000114.8E251 E252 R253W249-E251 PolarHBondContact O-N 3.19Å; W249-E252 HydrophobicContact CB-CB 4.35Å; W249-E252 HydrophobicContact CB-CG 4.14Å; W249-E252 HydrophobicContact CE3-CG 3.79Å; W249-E252 WeakPolarHBondContact CZ3-OE1 3.42Å; W249-E252 WeakPolarHBondContact O-CB 3.43Å; W249-E252 PolarHBondContact O-N 2.82Å; W249-R253 PolarHBondContact O-N 3.11Å
250E40.7Very low51.2Low137 Ų137115.4 Ų115.464%0.6453%0.534SS*.Hα-helixtrans-58.7-33.3169.9-76.3-167.6171.300111.5R253 R254E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.48Å; E250-R254 WeakPolarHBondContact O-CG 3.39Å; E250-R254 PolarHBondContact O-N 2.86Å; E250-R254 IonicContact OE2-NH2 3.18Å
251E39.8Very low53.3Low108 Ų108106.4 Ų106.451%0.50550%0.495SS..Hα-helixtrans-64.1-43.2174.6-64.5179.1177.900112W249 R253 R254 Q255W249-E251 PolarHBondContact O-N 3.19Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 3.36Å; E251-R254 PolarHBondContact O-N 3.24Å; E251-Q255 WeakPolarHBondContact O-CG 3.43Å; E251-Q255 PolarHBondContact O-N 2.87Å
252E48.6Very low55.7Low67 Ų67102.5 Ų102.531%0.31347%0.474SS..Hα-helixtrans-62.4-41.6172-73-177157.200110.9W249 R254 Q255 M256W249-E252 HydrophobicContact CB-CB 4.35Å; W249-E252 HydrophobicContact CB-CG 4.14Å; W249-E252 HydrophobicContact CE3-CG 3.79Å; W249-E252 WeakPolarHBondContact CZ3-OE1 3.42Å; W249-E252 WeakPolarHBondContact O-CB 3.43Å; W249-E252 PolarHBondContact O-N 2.82Å; E252-R254 VanDerWaalsContact C-N 3.33Å; E252-R254 PolarHBondContact O-N 3.15Å; E252-Q255 CarbonylContact O-C 3.52Å; E252-Q255 WeakPolarHBondContact O-CB 3.45Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; E252-M256 VanDerWaalsContact O-CG 3.31Å; E252-M256 WeakPolarHBondContact O-CG 3.3Å; E252-M256 PolarHBondContact O-N 2.98Å
253R47.9Very low58.1Low147 Ų14795.7 Ų95.756%0.55544%0.439SS*.Hα-helixtrans-61.3-40.6174.4-66.1-171.5-161.2-173.53.2112.3Y247 W249 E250 E251 Q255 M256 A257Y247-R253 VanDerWaalsContact CD1-CZ 3.42Å; W249-R253 PolarHBondContact O-N 3.11Å; E250-R253 WeakPolarHBondContact O-CB 3.4Å; E250-R253 PolarHBondContact O-N 3.48Å; E251-R253 VanDerWaalsContact C-N 3.33Å; E251-R253 PolarHBondContact O-N 3.36Å; R253-Q255 VanDerWaalsContact C-N 3.32Å; R253-M256 PolarHBondContact O-N 3.1Å; R253-A257 PolarHBondContact O-N 2.98Å
254R46.9Very low60.8Low137 Ų13798.8 Ų98.852%0.51744%0.439SS..Hα-helixtrans-64.2-38.4174.8-72178.3-164.3173.29.9110.9E250 E251 E252 M256 A257E250-R254 WeakPolarHBondContact O-CG 3.39Å; E250-R254 PolarHBondContact O-N 2.86Å; E250-R254 IonicContact OE2-NH2 3.18Å; E251-R254 PolarHBondContact O-N 3.24Å; E252-R254 VanDerWaalsContact C-N 3.33Å; E252-R254 PolarHBondContact O-N 3.15Å; R254-M256 VanDerWaalsContact C-N 3.29Å; R254-M256 PolarHBondContact O-N 3.45Å; R254-A257 PolarHBondContact O-N 3.33Å
255Q52.9Low63.6Low94 Ų9492.8 Ų92.844%0.43941%0.408SS..Hα-helixtrans-65.6-31173.4-72.1-177.218.400112.5E251 E252 R253 H281E251-Q255 WeakPolarHBondContact O-CG 3.43Å; E251-Q255 PolarHBondContact O-N 2.87Å; E252-Q255 CarbonylContact O-C 3.52Å; E252-Q255 WeakPolarHBondContact O-CB 3.45Å; E252-Q255 PolarHBondContact O-N 3.43Å; E252-Q255 VanDerWaalsContact O-N 3.16Å; R253-Q255 VanDerWaalsContact C-N 3.32Å; Q255-H281 PolarHBondContact O-CD2 3.07Å; Q255-H281 PolarHBondContact O-NE2 3.04Å
256M62.3Low66.1Low137 Ų13785.8 Ų85.868%0.67539%0.389SS*.THydrogen-bonded Turntrans-85-1.4177.4-62.9-156.391.700114.6E252 R253 R254E252-M256 VanDerWaalsContact O-CG 3.31Å; E252-M256 WeakPolarHBondContact O-CG 3.3Å; E252-M256 PolarHBondContact O-N 2.98Å; R253-M256 PolarHBondContact O-N 3.1Å; R254-M256 VanDerWaalsContact C-N 3.29Å; R254-M256 PolarHBondContact O-N 3.45Å
257A75.6Confident68.6Low30 Ų3082.1 Ų82.125%0.24838%0.376CS..SBendtrans-70.9141.7174.700000110.5R253 R254 Y259R253-A257 PolarHBondContact O-N 2.98Å; R254-A257 PolarHBondContact O-N 3.33Å; A257-Y259 PolarHBondContact O-N 2.99Å
258P83.1Confident71.3Confident43 Ų4376.3 Ų76.328%0.27936%0.355SS..PPolyproline II helixtrans-65123.8-179.325.9-33000110V279 I280 F286P258-V279 HydrophobicContact CB-CG1 4.46Å; P258-I280 WeakPolarHBondContact CA-O 3.42Å; P258-F286 HydrophobicContact CB-CD1 4.14Å; P258-F286 HydrophobicContact CB-CD2 3.83Å; P258-F286 HydrophobicContact CB-CE1 4.27Å; P258-F286 HydrophobicContact CB-CE2 3.96Å; P258-F286 HydrophobicContact CB-CG 3.91Å; P258-F286 HydrophobicContact CB-CZ 4.18Å; P258-F286 HydrophobicContact CG-CB 4.43Å; P258-F286 HydrophobicContact CG-CD2 3.41Å; P258-F286 VanDerWaalsContact CG-CD2 3.41Å; P258-F286 HydrophobicContact CG-CE2 3.7Å; P258-F286 HydrophobicContact CG-CG 3.89Å; P258-F286 HydrophobicContact CG-CZ 4.41Å
259Y83.1Confident73.8Confident14 Ų1474.4 Ų74.46%0.05535%0.349CS..EExtended strand (participates in β ladder)trans-103.7127.2178.7162.9-117000109.6L129 E180 A257 N261 V279 I280L129-Y259 HydrophobicContact CD1-CE1 4.48Å; E180-Y259 HydrophobicContact CB-CD2 4.15Å; E180-Y259 HydrophobicContact CB-CE2 4.02Å; E180-Y259 VanDerWaalsContact CD-OH 3.31Å; E180-Y259 HydrophobicContact CG-CD2 3.79Å; E180-Y259 HydrophobicContact CG-CE2 3.51Å; E180-Y259 WeakPolarHBondContact OE1-CE2 3.47Å; E180-Y259 PolarHBondContact OE1-OH 2.85Å; E180-Y259 WeakPolarHBondContact OE2-CE2 3.49Å; E180-Y259 PolarHBondContact OE2-OH 3.3Å; A257-Y259 PolarHBondContact O-N 2.99Å; Y259-N261 HydrophobicContact CE1-CB 4.06Å; Y259-N261 WeakPolarHBondContact OH-CA 3.23Å; Y259-N261 WeakPolarHBondContact OH-CB 3.41Å; Y259-N261 PolarHBondContact OH-OD1 2.69Å; Y259-V279 CarbonylContact O-C 3.54Å; Y259-V279 WeakPolarHBondContact O-CA 3.34Å; Y259-V279 VanDerWaalsContact O-CG1 3.26Å; Y259-V279 WeakPolarHBondContact O-CG1 3.27Å; Y259-I280 HydrophobicContact CD1-CB 4.22Å; Y259-I280 HydrophobicContact CD1-CD1 3.61Å; Y259-I280 HydrophobicContact CD1-CG1 3.77Å; Y259-I280 HydrophobicContact CE1-CD1 4.07Å; Y259-I280 HydrophobicContact CE1-CG1 4.47Å; Y259-I280 PolarHBondContact N-O 2.87Å; Y259-I280 PolarHBondContact O-N 3.24Å
260V89.4Confident76.5Confident3 Ų370.7 Ų70.72%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-113.7119.3177-173.50000110.4F176 M263 I277 Q278 V279 F286F176-V260 HydrophobicContact CB-CB 4.18Å; F176-V260 HydrophobicContact CD1-CB 4.23Å; F176-V260 HydrophobicContact CD1-CG2 3.98Å; F176-V260 HydrophobicContact CD2-CB 4.26Å; F176-V260 HydrophobicContact CD2-CG2 4.39Å; F176-V260 HydrophobicContact CE1-CG2 4.09Å; F176-V260 HydrophobicContact CG-CB 3.96Å; F176-V260 HydrophobicContact CG-CG2 4.15Å; F176-V260 HydrophobicContact CZ-CG2 4.37Å; V260-M263 HydrophobicContact CB-CE 3.93Å; V260-M263 HydrophobicContact CG1-CE 3.24Å; V260-M263 HydrophobicContact CG1-CG 3.75Å; V260-M263 HydrophobicContact CG1-SD 4.35Å; V260-M263 HydrophobicContact CG2-CE 3.74Å; V260-I277 HydrophobicContact CG1-CG2 3.77Å; V260-Q278 WeakPolarHBondContact CA-O 3.14Å; V260-V279 HydrophobicContact CG1-CG2 4.33Å; V260-V279 HydrophobicContact CG2-CG1 4.32Å; V260-V279 HydrophobicContact CG2-CG2 4.08Å; V260-F286 HydrophobicContact CG2-CE1 4.09Å; V260-F286 HydrophobicContact CG2-CZ 3.57Å
261N86.4Confident79Confident14 Ų1465.8 Ų65.88%0.07532%0.324CS..EExtended strand (participates in β ladder)trans-82.3-50.5176.5-174.516000112.3L129 Q173 G203 Y259 Q278L129-N261 HydrophobicContact CD1-CB 3.96Å; L129-N261 HydrophobicContact CD2-CB 4.34Å; Q173-N261 PolarHBondContact NE2-O 3.46Å; G203-N261 PolarHBondContact O-ND2 3.02Å; G203-N261 PolarHBondContact O-OD1 3.1Å; Y259-N261 HydrophobicContact CE1-CB 4.06Å; Y259-N261 WeakPolarHBondContact OH-CA 3.23Å; Y259-N261 WeakPolarHBondContact OH-CB 3.41Å; Y259-N261 PolarHBondContact OH-OD1 2.69Å; N261-Q278 HydrophobicContact CB-CB 4.25Å; N261-Q278 PolarHBondContact N-O 3.16Å
262A89Confident81.7Confident26 Ų2664.5 Ų64.522%0.21532%0.316CS..EExtended strand (participates in β ladder)trans-147149.2-17400000112.7I277 Q278A262-I277 WeakPolarHBondContact O-CA 3.25Å; A262-Q278 PolarHBondContact O-N 2.78Å
263M92.8Very high84Confident11 Ų1161.4 Ų61.45%0.05430%0.302CS..EExtended strand (participates in β ladder)trans-136.9134.9175.5-57.1-163.8174.700110.3L169 L172 F176 V260 E276 I277 L290L169-M263 HydrophobicContact CD2-CB 4.37Å; L172-M263 HydrophobicContact CB-SD 4.48Å; F176-M263 HydrophobicContact CD2-CE 3.45Å; F176-M263 VanDerWaalsContact CD2-CE 3.45Å; F176-M263 HydrophobicContact CD2-SD 4.25Å; F176-M263 HydrophobicContact CE2-CE 3.1Å; F176-M263 HydrophobicContact CE2-SD 3.99Å; F176-M263 HydrophobicContact CG-CE 4.43Å; F176-M263 HydrophobicContact CZ-CE 3.82Å; V260-M263 HydrophobicContact CB-CE 3.93Å; V260-M263 HydrophobicContact CG1-CE 3.24Å; V260-M263 HydrophobicContact CG1-CG 3.75Å; V260-M263 HydrophobicContact CG1-SD 4.35Å; V260-M263 HydrophobicContact CG2-CE 3.74Å; M263-E276 WeakPolarHBondContact CA-O 3.12Å; M263-I277 HydrophobicContact CE-CD1 4.36Å; M263-I277 HydrophobicContact CE-CG2 3.93Å; M263-I277 HydrophobicContact CG-CG1 4.44Å; M263-I277 HydrophobicContact CG-CG2 4.04Å; M263-I277 HydrophobicContact SD-CD1 4.35Å; M263-L290 HydrophobicContact CE-CD1 3.49Å; M263-L290 VanDerWaalsContact CE-CD1 3.49Å; M263-L290 HydrophobicContact CE-CG 4.5Å; M263-L290 HydrophobicContact SD-CD1 4.45Å
264R94.2Very high86.3Confident150 Ų15055.3 Ų55.357%0.56628%0.281SS*.EExtended strand (participates in β ladder)trans-149.3149.7173.364.1-179.4-176.1179.7-1112.3V266 I275 E276R264-V266 HydrophobicContact CG-CG2 4.31Å; R264-V266 PolarHBondContact O-N 3.26Å; R264-I275 CarbonylContact O-C 2.87Å; R264-I275 WeakPolarHBondContact O-CA 3.37Å; R264-I275 WeakPolarHBondContact O-CG2 3.45Å; R264-E276 HydrophobicContact CG-CB 4Å; R264-E276 IonicContact CZ-OE2 3.15Å; R264-E276 PolarHBondContact N-O 3.26Å; R264-E276 IonicContact NE-OE1 3.9Å; R264-E276 IonicContact NE-OE2 2.78Å; R264-E276 PolarHBondContact NE-OE2 2.8Å; R264-E276 IonicContact NH2-OE1 3.47Å; R264-E276 PolarHBondContact NH2-OE1 3.18Å; R264-E276 IonicContact NH2-OE2 2.69Å; R264-E276 PolarHBondContact NH2-OE2 3.26Å; R264-E276 PolarHBondContact O-N 3.16Å
265C96.1Very high88.7Confident15 Ų1548.8 Ų48.810%0.10126%0.256CS..EExtended strand (participates in β ladder)trans-79.7118169.7-1690000108.6I165 D166 L169I165-C265 HydrophobicContact CG2-CB 4.22Å; D166-C265 VanDerWaalsContact OD1-CB 3.23Å; D166-C265 WeakPolarHBondContact OD1-CB 3.37Å; L169-C265 HydrophobicContact CD1-CB 3.82Å
266V95Very high90.8Very high65 Ų6545.3 Ų45.339%0.39424%0.24SC..EExtended strand (participates in β ladder)trans-89.5-46.4178.3175.50000110.2R264 T274 E276R264-V266 HydrophobicContact CG-CG2 4.31Å; R264-V266 PolarHBondContact O-N 3.26Å; V266-T274 PolarHBondContact N-O 3.24Å; V266-E276 HydrophobicContact CG2-CB 3.45Å; V266-E276 VanDerWaalsContact CG2-CB 3.45Å
267D96.2Very high92.3Very high71 Ų7138.8 Ų38.838%0.3821%0.208SC..EExtended strand (participates in β ladder)trans-136.7142.6-172.6-167.615.8000111.1F273 T274D267-F273 CarbonylContact O-C 3.53Å; D267-F273 WeakPolarHBondContact O-CA 3.25Å; D267-T274 HydrophobicContact CB-CG2 4.11Å; D267-T274 WeakPolarHBondContact CB-OG1 3.24Å; D267-T274 PolarHBondContact N-O 3.36Å; D267-T274 PolarHBondContact N-OG1 3.37Å; D267-T274 PolarHBondContact O-N 3.14Å
268F96.4Very high93.1Very high46 Ų4639.5 Ų39.520%0.20221%0.206CC..EExtended strand (participates in β ladder)trans-138.389-176-179.5-102.5000110.2M138 V160 K162 I165 P270 F273M138-F268 HydrophobicContact CE-CE2 3.86Å; V160-F268 WeakPolarHBondContact O-CZ 3.35Å; K162-F268 HydrophobicContact CB-CB 4.3Å; K162-F268 HydrophobicContact CB-CD1 3.88Å; K162-F268 HydrophobicContact CB-CD2 4.45Å; K162-F268 HydrophobicContact CB-CE1 4.36Å; K162-F268 HydrophobicContact CB-CG 3.94Å; K162-F268 HydrophobicContact CD-CB 4.34Å; K162-F268 HydrophobicContact CG-CB 4.26Å; K162-F268 HydrophobicContact CG-CG 4.4Å; I165-F268 HydrophobicContact CD1-CD2 3.53Å; I165-F268 HydrophobicContact CD1-CE2 3.41Å; I165-F268 VanDerWaalsContact CD1-CE2 3.41Å; F268-P270 HydrophobicContact CE1-CB 4.46Å; F268-P270 HydrophobicContact CE1-CG 3.9Å; F268-P270 HydrophobicContact CZ-CB 4.08Å; F268-P270 HydrophobicContact CZ-CG 4.03Å; F268-P270 WeakPolarHBondContact O-CD 3.48Å; F268-F273 HydrophobicContact CD2-CB 3.86Å
269D95.7Very high93.4Very high105 Ų10537.4 Ų37.456%0.56119%0.193SC*.EExtended strand (participates in β ladder)trans-118.178178.2-78.6-19.5000109.6F272D269-F272 CarbonylContact C-O 3.43Å; D269-F272 PolarHBondContact N-O 3.35Å; D269-F272 VanDerWaalsContact N-O 3.09Å; D269-F272 CarbonylContact O-C 3.56Å; D269-F272 WeakPolarHBondContact O-CA 3.25Å; D269-F272 WeakPolarHBondContact O-CB 3.07Å; D269-F272 PolarHBondContact O-N 2.93Å
270P93.8Very high93.6Very high64 Ų6436.9 Ų36.942%0.41619%0.191SC..THydrogen-bonded Turntrans-55.8138.4-171.322.3-33.5000112.2M138 W157 F268 F272M138-P270 HydrophobicContact CE-CB 4.13Å; W157-P270 HydrophobicContact CE3-CB 4.3Å; W157-P270 HydrophobicContact CZ3-CB 3.74Å; F268-P270 HydrophobicContact CE1-CB 4.46Å; F268-P270 HydrophobicContact CE1-CG 3.9Å; F268-P270 HydrophobicContact CZ-CB 4.08Å; F268-P270 HydrophobicContact CZ-CG 4.03Å; F268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-F272 VanDerWaalsContact C-N 3.31Å
271P93.7Very high93.2Very high35 Ų3539.4 Ų39.423%0.22720%0.202CC..THydrogen-bonded Turncis-82.22.311.634.7-37.3000114.5M138 W157M138-P271 WeakPolarHBondContact CE-O 3.42Å; M138-P271 PolarHBondContact N-O 3.27Å; W157-P271 HydrophobicContact CD2-CB 4.08Å; W157-P271 HydrophobicContact CE3-CB 4.35Å; W157-P271 HydrophobicContact CH2-CB 4.12Å; W157-P271 HydrophobicContact CZ2-CB 3.83Å; W157-P271 HydrophobicContact CZ2-CG 4.38Å; W157-P271 HydrophobicContact CZ3-CB 4.4Å
272F96.6Very high93.1Very high81 Ų8140 Ų4036%0.35521%0.205SC..EExtended strand (participates in β ladder)trans-92.4150.8178.1-57.4-78.1000111.4C136 M137 D269 P270C136-F272 VanDerWaalsContact O-CA 3.26Å; C136-F272 WeakPolarHBondContact O-CA 3.24Å; M137-F272 HydrophobicContact CB-CD1 3.86Å; M137-F272 HydrophobicContact CB-CE1 3.77Å; M137-F272 HydrophobicContact CE-CE1 3.46Å; M137-F272 VanDerWaalsContact CE-CE1 3.46Å; M137-F272 HydrophobicContact CE-CE2 4.32Å; M137-F272 HydrophobicContact CE-CZ 3.3Å; M137-F272 HydrophobicContact CG-CD1 4.2Å; M137-F272 HydrophobicContact CG-CE1 3.85Å; M137-F272 HydrophobicContact CG-CZ 4.5Å; M137-F272 HydrophobicContact SD-CE1 4.33Å; D269-F272 CarbonylContact C-O 3.43Å; D269-F272 PolarHBondContact N-O 3.35Å; D269-F272 VanDerWaalsContact N-O 3.09Å; D269-F272 CarbonylContact O-C 3.56Å; D269-F272 WeakPolarHBondContact O-CA 3.25Å; D269-F272 WeakPolarHBondContact O-CB 3.07Å; D269-F272 PolarHBondContact O-N 2.93Å; P270-F272 VanDerWaalsContact C-N 3.31Å
273F96.4Very high93.1Very high1 Ų143 Ų430%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-149.4149.5168.666.3-76.2000108.4C136 M138 I165 D267 F268 I275 L294 L298 T302C136-F273 HydrophobicContact CB-CD1 3.87Å; C136-F273 HydrophobicContact CB-CD2 4.4Å; C136-F273 HydrophobicContact CB-CE1 3.36Å; C136-F273 HydrophobicContact CB-CE2 3.98Å; C136-F273 HydrophobicContact CB-CG 4.37Å; C136-F273 HydrophobicContact CB-CZ 3.44Å; C136-F273 VanDerWaalsContact CB-CZ 3.44Å; C136-F273 PolarHBondContact N-O 3.47Å; C136-F273 PolarHBondContact O-N 3.15Å; M138-F273 HydrophobicContact CE-CD1 3.8Å; M138-F273 HydrophobicContact CG-CD1 3.59Å; M138-F273 HydrophobicContact CG-CE1 3.35Å; M138-F273 HydrophobicContact CG-CZ 4.49Å; M138-F273 HydrophobicContact SD-CD1 3.76Å; M138-F273 HydrophobicContact SD-CE1 3.92Å; I165-F273 HydrophobicContact CD1-CB 4.2Å; I165-F273 HydrophobicContact CD1-CD1 4.46Å; I165-F273 HydrophobicContact CD1-CD2 3.99Å; I165-F273 HydrophobicContact CD1-CE2 4.44Å; I165-F273 HydrophobicContact CD1-CG 3.98Å; I165-F273 HydrophobicContact CG2-CD2 4.17Å; I165-F273 HydrophobicContact CG2-CE2 4.24Å; D267-F273 CarbonylContact O-C 3.53Å; D267-F273 WeakPolarHBondContact O-CA 3.25Å; F268-F273 HydrophobicContact CD2-CB 3.86Å; F273-I275 HydrophobicContact CD2-CD1 4.15Å; F273-I275 HydrophobicContact CD2-CG1 3.87Å; F273-I275 HydrophobicContact CE2-CD1 3.5Å; F273-I275 VanDerWaalsContact CE2-CD1 3.5Å; F273-I275 HydrophobicContact CE2-CG1 3.76Å; F273-I275 HydrophobicContact CZ-CD1 4.42Å; F273-L294 HydrophobicContact CE2-CD1 4.49Å; F273-L298 HydrophobicContact CZ-CD1 4.41Å; F273-T302 HydrophobicContact CE1-CG2 4.15Å; F273-T302 HydrophobicContact CZ-CG2 4.28Å
274T97.2Very high92.9Very high19 Ų1944.3 Ų44.312%0.11723%0.227CC..EExtended strand (participates in β ladder)trans-117.5127.6-177.580.40000110.7L134 T135 V266 D267L134-T274 VanDerWaalsContact O-CA 3.31Å; L134-T274 WeakPolarHBondContact O-CA 3.5Å; T135-T274 HydrophobicContact CG2-CG2 3.52Å; V266-T274 PolarHBondContact N-O 3.24Å; D267-T274 HydrophobicContact CB-CG2 4.11Å; D267-T274 WeakPolarHBondContact CB-OG1 3.24Å; D267-T274 PolarHBondContact N-O 3.36Å; D267-T274 PolarHBondContact N-OG1 3.37Å; D267-T274 PolarHBondContact O-N 3.14Å
275I96.5Very high92.8Very high0 Ų043.9 Ų43.90%023%0.23CC..EExtended strand (participates in β ladder)trans-108.5129.7177.5-53.3166.7000107.7H133 L134 L169 R264 F273 I277 L294H133-I275 CarbonylContact C-O 3.42Å; H133-I275 WeakPolarHBondContact CA-O 3.18Å; L134-I275 PolarHBondContact N-O 3Å; L134-I275 PolarHBondContact O-N 2.94Å; L169-I275 HydrophobicContact CD1-CG1 4.42Å; L169-I275 HydrophobicContact CD1-CG2 4.24Å; L169-I275 HydrophobicContact CD2-CD1 3.95Å; L169-I275 HydrophobicContact CD2-CG1 4.39Å; L169-I275 HydrophobicContact CD2-CG2 4Å; R264-I275 CarbonylContact O-C 2.87Å; R264-I275 WeakPolarHBondContact O-CA 3.37Å; R264-I275 WeakPolarHBondContact O-CG2 3.45Å; F273-I275 HydrophobicContact CD2-CD1 4.15Å; F273-I275 HydrophobicContact CD2-CG1 3.87Å; F273-I275 HydrophobicContact CE2-CD1 3.5Å; F273-I275 VanDerWaalsContact CE2-CD1 3.5Å; F273-I275 HydrophobicContact CE2-CG1 3.76Å; F273-I275 HydrophobicContact CZ-CD1 4.42Å; I275-I277 HydrophobicContact CB-CG1 4.26Å; I275-I277 HydrophobicContact CG2-CD1 4.01Å; I275-I277 HydrophobicContact CG2-CG1 3.55Å; I275-L294 HydrophobicContact CD1-CD1 3.41Å; I275-L294 VanDerWaalsContact CD1-CD1 3.41Å
276E96.3Very high92.6Very high22 Ų2244.8 Ų44.810%0.10323%0.232CC..EExtended strand (participates in β ladder)trans-89.5125.8164.4-177.5-174158.600109.3T131 Y132 M263 R264 V266T131-E276 HydrophobicContact CG2-CG 3.47Å; T131-E276 VanDerWaalsContact CG2-CG 3.47Å; T131-E276 WeakPolarHBondContact CG2-OE1 3.37Å; Y132-E276 CarbonylContact O-C 3.52Å; Y132-E276 VanDerWaalsContact O-CA 3.27Å; Y132-E276 WeakPolarHBondContact O-CA 3.4Å; M263-E276 WeakPolarHBondContact CA-O 3.12Å; R264-E276 HydrophobicContact CG-CB 4Å; R264-E276 IonicContact CZ-OE2 3.15Å; R264-E276 PolarHBondContact N-O 3.26Å; R264-E276 IonicContact NE-OE1 3.9Å; R264-E276 IonicContact NE-OE2 2.78Å; R264-E276 PolarHBondContact NE-OE2 2.8Å; R264-E276 IonicContact NH2-OE1 3.47Å; R264-E276 PolarHBondContact NH2-OE1 3.18Å; R264-E276 IonicContact NH2-OE2 2.69Å; R264-E276 PolarHBondContact NH2-OE2 3.26Å; R264-E276 PolarHBondContact O-N 3.16Å; V266-E276 HydrophobicContact CG2-CB 3.45Å; V266-E276 VanDerWaalsContact CG2-CB 3.45Å
277I94.9Very high92.6Very high0 Ų041.7 Ų41.70%021%0.213CC..EExtended strand (participates in β ladder)trans-128.1131.3-178-49.9-168.6000108.9T131 Y132 L134 V260 A262 M263 I275 V279 L290T131-I277 WeakPolarHBondContact CA-O 3.34Å; Y132-I277 PolarHBondContact N-O 3.34Å; Y132-I277 PolarHBondContact O-N 3.41Å; L134-I277 HydrophobicContact CD1-CD1 3.45Å; L134-I277 VanDerWaalsContact CD1-CD1 3.45Å; L134-I277 HydrophobicContact CD1-CG1 4.26Å; L134-I277 HydrophobicContact CG-CD1 4.2Å; V260-I277 HydrophobicContact CG1-CG2 3.77Å; A262-I277 WeakPolarHBondContact O-CA 3.25Å; M263-I277 HydrophobicContact CE-CD1 4.36Å; M263-I277 HydrophobicContact CE-CG2 3.93Å; M263-I277 HydrophobicContact CG-CG1 4.44Å; M263-I277 HydrophobicContact CG-CG2 4.04Å; M263-I277 HydrophobicContact SD-CD1 4.35Å; I275-I277 HydrophobicContact CB-CG1 4.26Å; I275-I277 HydrophobicContact CG2-CD1 4.01Å; I275-I277 HydrophobicContact CG2-CG1 3.55Å; I277-V279 HydrophobicContact CB-CG2 4.1Å; I277-V279 HydrophobicContact CG2-CG2 3.15Å; I277-L290 HydrophobicContact CD1-CD1 3.92Å; I277-L290 HydrophobicContact CD1-CD2 3.98Å
278Q92.9Very high92.5Very high44 Ų4439.9 Ų39.921%0.20620%0.203CC..EExtended strand (participates in β ladder)trans-103111.8174.1-61.5-177.53.500109.5L129 K130 T131 V260 N261 A262L129-Q278 HydrophobicContact CD1-CB 4.05Å; L129-Q278 HydrophobicContact CD2-CB 4.01Å; L129-Q278 HydrophobicContact CG-CB 4.09Å; K130-Q278 CarbonylContact O-C 3.6Å; K130-Q278 VanDerWaalsContact O-CA 3.31Å; K130-Q278 WeakPolarHBondContact O-CA 3.18Å; T131-Q278 HydrophobicContact CG2-CG 4.16Å; V260-Q278 WeakPolarHBondContact CA-O 3.14Å; N261-Q278 HydrophobicContact CB-CB 4.25Å; N261-Q278 PolarHBondContact N-O 3.16Å; A262-Q278 PolarHBondContact O-N 2.78Å
279V89.8Confident92.4Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-135.2154.6-169-167.90000112.2K130 P258 Y259 V260 I277 E282 F286 F287K130-V279 WeakPolarHBondContact CB-O 3.42Å; K130-V279 PolarHBondContact N-O 3.17Å; K130-V279 PolarHBondContact O-N 3.03Å; P258-V279 HydrophobicContact CB-CG1 4.46Å; Y259-V279 CarbonylContact O-C 3.54Å; Y259-V279 WeakPolarHBondContact O-CA 3.34Å; Y259-V279 VanDerWaalsContact O-CG1 3.26Å; Y259-V279 WeakPolarHBondContact O-CG1 3.27Å; V260-V279 HydrophobicContact CG1-CG2 4.33Å; V260-V279 HydrophobicContact CG2-CG1 4.32Å; V260-V279 HydrophobicContact CG2-CG2 4.08Å; I277-V279 HydrophobicContact CB-CG2 4.1Å; I277-V279 HydrophobicContact CG2-CG2 3.15Å; V279-E282 HydrophobicContact CB-CB 4.34Å; V279-E282 HydrophobicContact CG1-CB 3.78Å; V279-F286 HydrophobicContact CG1-CE1 4.04Å; V279-F286 HydrophobicContact CG2-CE1 4.44Å; V279-F287 HydrophobicContact CG2-CE1 4.12Å
280I85.4Confident92.3Very high3 Ų337 Ų372%0.01519%0.189CC..EExtended strand (participates in β ladder)trans-125.6152.4168.7-48.2-175.8000108.9L129 R207 P258 Y259 E282L129-I280 HydrophobicContact CB-CD1 4.46Å; L129-I280 HydrophobicContact CB-CG1 4.46Å; L129-I280 HydrophobicContact CD1-CD1 4.12Å; L129-I280 HydrophobicContact CD1-CG1 3.74Å; R207-I280 HydrophobicContact CG-CD1 4.45Å; P258-I280 WeakPolarHBondContact CA-O 3.42Å; Y259-I280 HydrophobicContact CD1-CB 4.22Å; Y259-I280 HydrophobicContact CD1-CD1 3.61Å; Y259-I280 HydrophobicContact CD1-CG1 3.77Å; Y259-I280 HydrophobicContact CE1-CD1 4.07Å; Y259-I280 HydrophobicContact CE1-CG1 4.47Å; Y259-I280 PolarHBondContact N-O 2.87Å; Y259-I280 PolarHBondContact O-N 3.24Å; I280-E282 PolarHBondContact O-N 2.7Å; I280-E282 VanDerWaalsContact O-N 3.16Å
281H82.1Confident92.4Very high56 Ų5633.9 Ų33.926%0.25917%0.17SC..SBendtrans51.836.2-179.3-59.7-57.9000113.2S127 Q255S127-H281 PolarHBondContact OG-CE1 2.99Å; S127-H281 PolarHBondContact OG-NE2 3.21Å; S127-H281 VanDerWaalsContact OG-NE2 3.15Å; Q255-H281 PolarHBondContact O-CD2 3.07Å; Q255-H281 PolarHBondContact O-NE2 3.04Å
282E84.2Confident92.5Very high27 Ų2734 Ų3413%0.12618%0.177CC..  trans-67.8145.9179.377.3-68.4179.400111.7K130 Y132 V279 I280 F287K130-E282 WeakPolarHBondContact CD-OE1 3.42Å; K130-E282 VanDerWaalsContact CD-OE2 3.25Å; K130-E282 WeakPolarHBondContact CD-OE2 3.2Å; K130-E282 WeakPolarHBondContact CE-OE2 3.32Å; K130-E282 IonicContact NZ-OE1 2.66Å; K130-E282 PolarHBondContact NZ-OE1 2.92Å; K130-E282 IonicContact NZ-OE2 3.7Å; K130-E282 PolarHBondContact NZ-OE2 2.75Å; Y132-E282 HydrophobicContact CE2-CG 3.69Å; Y132-E282 VanDerWaalsContact OH-CD 3.28Å; Y132-E282 PolarHBondContact OH-OE1 3.17Å; V279-E282 HydrophobicContact CB-CB 4.34Å; V279-E282 HydrophobicContact CG1-CB 3.78Å; I280-E282 PolarHBondContact O-N 2.7Å; I280-E282 VanDerWaalsContact O-N 3.16Å; E282-F287 HydrophobicContact CB-CE1 4.47Å; E282-F287 HydrophobicContact CB-CE2 3.96Å; E282-F287 HydrophobicContact CB-CZ 3.7Å; E282-F287 HydrophobicContact CG-CE2 3.79Å; E282-F287 HydrophobicContact CG-CZ 3.83Å
283T88.1Confident92.3Very high88 Ų8835 Ų3554%0.5419%0.186SC..  trans-124.4152167.3-57.70000108.4K285 F286 F287T283-K285 HydrophobicContact CG2-CB 4.17Å; T283-K285 PolarHBondContact O-N 2.77Å; T283-F286 WeakPolarHBondContact O-CB 3.11Å; T283-F286 PolarHBondContact O-N 2.93Å; T283-F287 PolarHBondContact O-N 2.83Å
284L89.9Confident92.3Very high39 Ų3935 Ų3520%0.20419%0.186CC..Hα-helixtrans-55-40.4174.7179.163.1000112.1S100 F102 M103 F286 F287 I288 L304S100-L284 VanDerWaalsContact OG-CD2 3.28Å; S100-L284 WeakPolarHBondContact OG-CD2 3.49Å; F102-L284 HydrophobicContact CB-CD2 4.45Å; F102-L284 HydrophobicContact CD1-CD1 4.05Å; M103-L284 HydrophobicContact CG-CD1 3.99Å; M103-L284 HydrophobicContact SD-CD1 4.24Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 3.34Å; L284-F287 PolarHBondContact O-N 2.7Å; L284-I288 HydrophobicContact CD1-CD1 4.47Å; L284-I288 HydrophobicContact CD2-CD1 4.49Å; L284-I288 HydrophobicContact CG-CD1 3.96Å; L284-I288 WeakPolarHBondContact O-CG1 3.28Å; L284-I288 PolarHBondContact O-N 3.48Å; L284-L304 HydrophobicContact CD1-CD2 4.36Å
285K91.3Very high92.1Very high141 Ų14134.1 Ų34.161%0.61318%0.181SC*.Hα-helixtrans-59.4-40.3176.5-175.5171.2179.7169.80112.4T283 F287 I288 D289T283-K285 HydrophobicContact CG2-CB 4.17Å; T283-K285 PolarHBondContact O-N 2.77Å; K285-F287 VanDerWaalsContact C-N 3.33Å; K285-F287 PolarHBondContact O-N 2.73Å; K285-I288 PolarHBondContact O-N 2.77Å; K285-D289 WeakPolarHBondContact O-CB 3.49Å; K285-D289 VanDerWaalsContact O-CG 3.27Å; K285-D289 PolarHBondContact O-N 2.83Å
286F92.4Very high92Very high34 Ų3438.7 Ų38.715%0.14921%0.21CC..Hα-helixtrans-59.1-43.7175.3167.9-100.2000111.8F176 P258 V260 V279 T283 L284 I288 D289 L290F176-F286 HydrophobicContact CE1-CE2 4.33Å; F176-F286 HydrophobicContact CE1-CZ 4.34Å; F176-F286 HydrophobicContact CZ-CZ 4.43Å; P258-F286 HydrophobicContact CB-CD1 4.14Å; P258-F286 HydrophobicContact CB-CD2 3.83Å; P258-F286 HydrophobicContact CB-CE1 4.27Å; P258-F286 HydrophobicContact CB-CE2 3.96Å; P258-F286 HydrophobicContact CB-CG 3.91Å; P258-F286 HydrophobicContact CB-CZ 4.18Å; P258-F286 HydrophobicContact CG-CB 4.43Å; P258-F286 HydrophobicContact CG-CD2 3.41Å; P258-F286 VanDerWaalsContact CG-CD2 3.41Å; P258-F286 HydrophobicContact CG-CE2 3.7Å; P258-F286 HydrophobicContact CG-CG 3.89Å; P258-F286 HydrophobicContact CG-CZ 4.41Å; V260-F286 HydrophobicContact CG2-CE1 4.09Å; V260-F286 HydrophobicContact CG2-CZ 3.57Å; V279-F286 HydrophobicContact CG1-CE1 4.04Å; V279-F286 HydrophobicContact CG2-CE1 4.44Å; T283-F286 WeakPolarHBondContact O-CB 3.11Å; T283-F286 PolarHBondContact O-N 2.93Å; L284-F286 VanDerWaalsContact C-N 3.31Å; L284-F286 PolarHBondContact O-N 3.34Å; F286-I288 PolarHBondContact O-N 3.31Å; F286-D289 PolarHBondContact O-N 3.31Å; F286-L290 HydrophobicContact CE1-CD1 3.9Å; F286-L290 HydrophobicContact CZ-CD1 3.8Å; F286-L290 VanDerWaalsContact O-CB 3.22Å; F286-L290 WeakPolarHBondContact O-CB 3.24Å; F286-L290 PolarHBondContact O-N 3.41Å
287F94.8Very high92Very high0 Ų041.1 Ų41.10%022%0.22CC..Hα-helixtrans-65.4-38.8176.2-66.2-47000112.7M103 Y132 L134 V279 E282 T283 L284 K285 V291 L304M103-F287 HydrophobicContact SD-CD2 4.19Å; M103-F287 HydrophobicContact SD-CE2 4.13Å; Y132-F287 HydrophobicContact CD1-CE2 4.23Å; Y132-F287 HydrophobicContact CD1-CZ 4.22Å; Y132-F287 HydrophobicContact CD2-CE1 4.48Å; Y132-F287 HydrophobicContact CD2-CE2 4.32Å; Y132-F287 AromaticContact CD2-CZ 3.6Å; Y132-F287 HydrophobicContact CD2-CZ 3.6Å; Y132-F287 HydrophobicContact CE1-CE2 4.25Å; Y132-F287 HydrophobicContact CE1-CZ 4.46Å; Y132-F287 HydrophobicContact CE2-CE2 4.32Å; Y132-F287 AromaticContact CE2-CZ 3.87Å; Y132-F287 HydrophobicContact CE2-CZ 3.87Å; Y132-F287 HydrophobicContact CG-CE2 4.26Å; Y132-F287 AromaticContact CG-CZ 3.78Å; Y132-F287 HydrophobicContact CG-CZ 3.78Å; L134-F287 HydrophobicContact CD1-CB 4.2Å; L134-F287 HydrophobicContact CD1-CD1 3.57Å; L134-F287 HydrophobicContact CD1-CE1 4.18Å; L134-F287 HydrophobicContact CD1-CG 4.07Å; L134-F287 HydrophobicContact CD2-CD1 4.19Å; L134-F287 HydrophobicContact CD2-CD2 4.42Å; L134-F287 HydrophobicContact CD2-CE1 4.48Å; L134-F287 HydrophobicContact CD2-CG 4.16Å; L134-F287 HydrophobicContact CG-CD1 4.44Å; V279-F287 HydrophobicContact CG2-CE1 4.12Å; E282-F287 HydrophobicContact CB-CE1 4.47Å; E282-F287 HydrophobicContact CB-CE2 3.96Å; E282-F287 HydrophobicContact CB-CZ 3.7Å; E282-F287 HydrophobicContact CG-CE2 3.79Å; E282-F287 HydrophobicContact CG-CZ 3.83Å; T283-F287 PolarHBondContact O-N 2.83Å; L284-F287 PolarHBondContact O-N 2.7Å; K285-F287 VanDerWaalsContact C-N 3.33Å; K285-F287 PolarHBondContact O-N 2.73Å; F287-V291 WeakPolarHBondContact O-CB 3.5Å; F287-V291 VanDerWaalsContact O-CG2 3.28Å; F287-V291 WeakPolarHBondContact O-CG2 3.41Å; F287-V291 PolarHBondContact O-N 2.81Å; F287-L304 HydrophobicContact CB-CD2 4.09Å
288I94.9Very high92Very high32 Ų3241.3 Ų41.316%0.16422%0.221CC..Hα-helixtrans-62.4-48.5175.9-69.2162.8000110.4D144 T146 L284 K285 F286 V291 G292 L304D144-I288 WeakPolarHBondContact O-CG2 3.5Å; T146-I288 HydrophobicContact CG2-CD1 3.83Å; T146-I288 HydrophobicContact CG2-CG1 4.16Å; L284-I288 HydrophobicContact CD1-CD1 4.47Å; L284-I288 HydrophobicContact CD2-CD1 4.49Å; L284-I288 HydrophobicContact CG-CD1 3.96Å; L284-I288 WeakPolarHBondContact O-CG1 3.28Å; L284-I288 PolarHBondContact O-N 3.48Å; K285-I288 PolarHBondContact O-N 2.77Å; F286-I288 PolarHBondContact O-N 3.31Å; I288-V291 PolarHBondContact O-N 2.66Å; I288-G292 PolarHBondContact O-N 3.22Å; I288-L304 HydrophobicContact CG1-CD2 4.3Å
289D94Very high92.1Very high80 Ų8049.4 Ų49.443%0.42825%0.25SS..Hα-helixtrans-65.7-41-179.2-67.1-20.5000111.3K285 F286 G292 N293K285-D289 WeakPolarHBondContact O-CB 3.49Å; K285-D289 VanDerWaalsContact O-CG 3.27Å; K285-D289 PolarHBondContact O-N 2.83Å; F286-D289 PolarHBondContact O-N 3.31Å; D289-G292 PolarHBondContact O-N 2.51Å; D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 VanDerWaalsContact O-CG 3.23Å; D289-N293 PolarHBondContact O-N 3.48Å; D289-N293 PolarHBondContact O-ND2 3.16Å
290L94.2Very high92.4Very high10 Ų1050.1 Ų50.15%0.05225%0.254CS..Hα-helixtrans-59.1-49.8174.5-178.7161.4000111.1F176 M263 I277 F286 N293 L294F176-L290 HydrophobicContact CZ-CD1 4.43Å; M263-L290 HydrophobicContact CE-CD1 3.49Å; M263-L290 VanDerWaalsContact CE-CD1 3.49Å; M263-L290 HydrophobicContact CE-CG 4.5Å; M263-L290 HydrophobicContact SD-CD1 4.45Å; I277-L290 HydrophobicContact CD1-CD1 3.92Å; I277-L290 HydrophobicContact CD1-CD2 3.98Å; F286-L290 HydrophobicContact CE1-CD1 3.9Å; F286-L290 HydrophobicContact CZ-CD1 3.8Å; F286-L290 VanDerWaalsContact O-CB 3.22Å; F286-L290 WeakPolarHBondContact O-CB 3.24Å; F286-L290 PolarHBondContact O-N 3.41Å; L290-N293 PolarHBondContact O-N 2.82Å; L290-L294 HydrophobicContact CD2-CD1 4Å; L290-L294 HydrophobicContact CD2-CG 4.46Å; L290-L294 PolarHBondContact O-N 3.02Å; L290-L294 VanDerWaalsContact O-N 3.13Å
291V95.3Very high92.8Very high0 Ų050.5 Ų50.50%026%0.258CS..Hα-helixtrans-68.5-36.5179.5174.70000111.3L134 C136 F287 I288 N293 L294 T302 L304L134-V291 HydrophobicContact CD1-CG2 4.33Å; C136-V291 HydrophobicContact CB-CG1 4.18Å; C136-V291 VanDerWaalsContact SG-CG2 3.52Å; F287-V291 WeakPolarHBondContact O-CB 3.5Å; F287-V291 VanDerWaalsContact O-CG2 3.28Å; F287-V291 WeakPolarHBondContact O-CG2 3.41Å; F287-V291 PolarHBondContact O-N 2.81Å; I288-V291 PolarHBondContact O-N 2.66Å; V291-N293 VanDerWaalsContact C-N 3.32Å; V291-N293 PolarHBondContact O-N 2.81Å; V291-L294 WeakPolarHBondContact O-CB 3.22Å; V291-L294 PolarHBondContact O-N 2.65Å; V291-T302 PolarHBondContact O-OG1 2.63Å; V291-L304 HydrophobicContact CB-CB 4.49Å; V291-L304 HydrophobicContact CG1-CB 4.45Å; V291-L304 HydrophobicContact CG2-CB 4.48Å; V291-L304 HydrophobicContact CG2-CD1 4.12Å
292G94.5Very high93.5Very high37 Ų3748.2 Ų48.238%0.38125%0.248SC..Hα-helixtrans-60.8-41173.300000112.2I288 D289 L294 G295 P296I288-G292 PolarHBondContact O-N 3.22Å; D289-G292 PolarHBondContact O-N 2.51Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.86Å; G292-G295 PolarHBondContact O-N 3.29Å; G292-P296 WeakPolarHBondContact O-CD 3.19Å
293N94Very high94Very high103 Ų10347 Ų4755%0.55124%0.243SC*.Hα-helixtrans-72.1-20.7177.7-74.4-41.8000113.9D289 L290 V291 G295D289-N293 WeakPolarHBondContact O-CB 3.37Å; D289-N293 VanDerWaalsContact O-CG 3.23Å; D289-N293 PolarHBondContact O-N 3.48Å; D289-N293 PolarHBondContact O-ND2 3.16Å; L290-N293 PolarHBondContact O-N 2.82Å; V291-N293 VanDerWaalsContact C-N 3.32Å; V291-N293 PolarHBondContact O-N 2.81Å; N293-G295 VanDerWaalsContact C-N 3.34Å
294L94.7Very high94.4Very high1 Ų142.8 Ų42.81%0.00522%0.217CC..Hα-helixtrans-66.9-35.7172.6-77.8172.1000112.4V168 L169 L172 F273 I275 L290 V291 G292 K297 L298V168-L294 HydrophobicContact CG1-CD2 3.53Å; L169-L294 HydrophobicContact CD2-CD2 4.37Å; L172-L294 HydrophobicContact CD1-CD2 3.37Å; L172-L294 HydrophobicContact CD1-CG 4.2Å; F273-L294 HydrophobicContact CE2-CD1 4.49Å; I275-L294 HydrophobicContact CD1-CD1 3.41Å; I275-L294 VanDerWaalsContact CD1-CD1 3.41Å; L290-L294 HydrophobicContact CD2-CD1 4Å; L290-L294 HydrophobicContact CD2-CG 4.46Å; L290-L294 PolarHBondContact O-N 3.02Å; L290-L294 VanDerWaalsContact O-N 3.13Å; V291-L294 WeakPolarHBondContact O-CB 3.22Å; V291-L294 PolarHBondContact O-N 2.65Å; G292-L294 VanDerWaalsContact C-N 3.32Å; G292-L294 PolarHBondContact O-N 2.86Å; L294-K297 PolarHBondContact O-N 3.07Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.48Å
295G94.2Very high94.6Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-55.1-59.1-177.400000112.4G292 N293 K297 L298 R299 T300 T302G292-G295 PolarHBondContact O-N 3.29Å; N293-G295 VanDerWaalsContact C-N 3.34Å; G295-K297 VanDerWaalsContact C-N 3.27Å; G295-K297 PolarHBondContact O-N 2.9Å; G295-L298 CarbonylContact O-C 3.58Å; G295-L298 WeakPolarHBondContact O-CA 3.33Å; G295-L298 PolarHBondContact O-N 3.06Å; G295-R299 PolarHBondContact O-N 3.41Å; G295-T300 CarbonylContact C-O 3.59Å; G295-T300 WeakPolarHBondContact CA-O 3.38Å; G295-T300 PolarHBondContact O-N 2.67Å; G295-T302 WeakPolarHBondContact CA-OG1 3.31Å; G295-T302 PolarHBondContact N-OG1 3.02Å
296P94.5Very high94.8Very high95 Ų9541.6 Ų41.662%0.61721%0.212SC*.Hα-helixtrans-54.9-39.4176.8-27.835.3000113.5G292 L298 R299G292-P296 WeakPolarHBondContact O-CD 3.19Å; P296-L298 VanDerWaalsContact C-N 3.28Å; P296-L298 PolarHBondContact O-N 3.21Å; P296-R299 PolarHBondContact O-N 3.32Å; P296-R299 VanDerWaalsContact O-N 3.13Å
297K95.2Very high95Very high73 Ų7340 Ų4032%0.31721%0.205SC..Hα-helixtrans-65.8-29.4177-66.6-169.2-179.9-160.30112.9V168 L172 L294 G295V168-K297 HydrophobicContact CG1-CB 3.66Å; V168-K297 HydrophobicContact CG1-CD 3.75Å; V168-K297 HydrophobicContact CG1-CG 4.34Å; V168-K297 HydrophobicContact CG2-CB 3.99Å; L172-K297 HydrophobicContact CD2-CD 4.48Å; L172-K297 HydrophobicContact CG-CD 4.38Å; L294-K297 PolarHBondContact O-N 3.07Å; G295-K297 VanDerWaalsContact C-N 3.27Å; G295-K297 PolarHBondContact O-N 2.9Å
298L94.9Very high95Very high4 Ų445 Ų452%0.02122%0.224CC..Hα-helixtrans-91.2-2.1175.2-63.9173.8000113.6H159 V160 K164 I165 V168 F273 L294 G295 P296 T300H159-L298 PolarHBondContact NE2-O 2.93Å; V160-L298 HydrophobicContact CG1-CD1 4.35Å; V160-L298 HydrophobicContact CG1-CD2 4.16Å; V160-L298 HydrophobicContact CG2-CB 4.18Å; K164-L298 HydrophobicContact CG-CD2 4Å; I165-L298 HydrophobicContact CG1-CD1 4.15Å; I165-L298 HydrophobicContact CG1-CD2 3.93Å; V168-L298 HydrophobicContact CB-CD2 4.31Å; V168-L298 HydrophobicContact CG2-CD2 3.85Å; F273-L298 HydrophobicContact CZ-CD1 4.41Å; L294-L298 WeakPolarHBondContact O-CG 3.48Å; L294-L298 PolarHBondContact O-N 3.48Å; G295-L298 CarbonylContact O-C 3.58Å; G295-L298 WeakPolarHBondContact O-CA 3.33Å; G295-L298 PolarHBondContact O-N 3.06Å; P296-L298 VanDerWaalsContact C-N 3.28Å; P296-L298 PolarHBondContact O-N 3.21Å; L298-T300 VanDerWaalsContact C-N 3.26Å; L298-T300 PolarHBondContact O-N 2.92Å
299R95.4Very high95.1Very high215 Ų21543.5 Ų43.581%0.81122%0.216SC*.THydrogen-bonded Turntrans57.138.3-170.4-56.2-179.5174.1-169.3-2.8112.6H159 G295 P296H159-R299 PolarHBondContact CE1-O 2.66Å; H159-R299 PolarHBondContact NE2-O 3Å; G295-R299 PolarHBondContact O-N 3.41Å; P296-R299 PolarHBondContact O-N 3.32Å; P296-R299 VanDerWaalsContact O-N 3.13Å
300T95.4Very high95.1Very high14 Ų1441.5 Ų41.59%0.08621%0.207CC..SBendtrans-139.3180177.164.10000110.3S156 W157 H159 V160 G295 L298S156-T300 WeakPolarHBondContact O-CG2 3.49Å; W157-T300 HydrophobicContact CB-CG2 4.11Å; H159-T300 VanDerWaalsContact CE1-CG2 3.46Å; H159-T300 WeakPolarHBondContact CE1-CG2 3.26Å; H159-T300 WeakPolarHBondContact NE2-CG2 3.13Å; V160-T300 HydrophobicContact CG2-CG2 3.29Å; G295-T300 CarbonylContact C-O 3.59Å; G295-T300 WeakPolarHBondContact CA-O 3.38Å; G295-T300 PolarHBondContact O-N 2.67Å; L298-T300 VanDerWaalsContact C-N 3.26Å; L298-T300 PolarHBondContact O-N 2.92Å
301A95.5Very high95Very high12 Ų1245.7 Ų45.710%0.09922%0.222CC..  trans-101.514216500000108.7M138 G139 R140 A141 A155M138-A301 CarbonylContact C-O 3.44Å; M138-A301 WeakPolarHBondContact CA-O 3.44Å; G139-A301 PolarHBondContact N-O 3.04Å; R140-A301 PolarHBondContact N-O 3.26Å; A141-A301 HydrophobicContact CB-CB 4.03Å; A155-A301 HydrophobicContact CB-CB 3.82Å
302T95.6Very high94.8Very high8 Ų845.7 Ų45.75%0.04922%0.222CC..EExtended strand (participates in β ladder)trans-132.3146.6178.840.90000110.3M137 M138 R140 F273 V291 G295M137-T302 WeakPolarHBondContact O-CA 3.44Å; M138-T302 HydrophobicContact CG-CG2 4.12Å; R140-T302 CarbonylContact O-C 3.43Å; R140-T302 VanDerWaalsContact O-C 3.3Å; F273-T302 HydrophobicContact CE1-CG2 4.15Å; F273-T302 HydrophobicContact CZ-CG2 4.28Å; V291-T302 PolarHBondContact O-OG1 2.63Å; G295-T302 WeakPolarHBondContact CA-OG1 3.31Å; G295-T302 PolarHBondContact N-OG1 3.02Å
303L95.3Very high94.3Very high1 Ų144.3 Ų44.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-133.6155.4172.266.582.7000110.4C136 M137 R140 A147 S305C136-L303 CarbonylContact C-O 3.58Å; C136-L303 WeakPolarHBondContact CA-O 3.42Å; M137-L303 HydrophobicContact CB-CD1 3.77Å; M137-L303 HydrophobicContact CB-CG 3.97Å; M137-L303 PolarHBondContact N-O 3.2Å; M137-L303 PolarHBondContact O-N 3.27Å; M137-L303 HydrophobicContact SD-CD2 4.31Å; R140-L303 HydrophobicContact CB-CD2 3.59Å; R140-L303 HydrophobicContact CG-CD2 3.49Å; R140-L303 VanDerWaalsContact CG-CD2 3.49Å; R140-L303 PolarHBondContact O-N 3.49Å; A147-L303 HydrophobicContact CB-CD1 3.78Å; L303-S305 PolarHBondContact O-N 3.05Å
304L96.2Very high93.9Very high0 Ų040.8 Ų40.80%019%0.19CC..EExtended strand (participates in β ladder)trans-82.1114.8174.7-177.366.7000109.3F102 L134 G145 T146 A147 L284 F287 I288 V291 A307F102-L304 HydrophobicContact CD1-CD2 4.4Å; F102-L304 HydrophobicContact CE1-CD2 3.73Å; F102-L304 HydrophobicContact CE1-CG 3.8Å; F102-L304 HydrophobicContact CZ-CG 4.24Å; F102-L304 WeakPolarHBondContact CZ-O 3.49Å; L134-L304 HydrophobicContact CB-CD1 3.91Å; L134-L304 HydrophobicContact CD1-CD1 4.43Å; L134-L304 HydrophobicContact CD2-CD1 4.07Å; L134-L304 HydrophobicContact CG-CD1 4.36Å; G145-L304 PolarHBondContact O-N 3.27Å; T146-L304 CarbonylContact C-O 3.45Å; T146-L304 WeakPolarHBondContact CA-O 2.96Å; A147-L304 PolarHBondContact N-O 2.84Å; L284-L304 HydrophobicContact CD1-CD2 4.36Å; F287-L304 HydrophobicContact CB-CD2 4.09Å; I288-L304 HydrophobicContact CG1-CD2 4.3Å; V291-L304 HydrophobicContact CB-CB 4.49Å; V291-L304 HydrophobicContact CG1-CB 4.45Å; V291-L304 HydrophobicContact CG2-CB 4.48Å; V291-L304 HydrophobicContact CG2-CD1 4.12Å; L304-A307 HydrophobicContact CD1-CB 4.49Å; L304-A307 HydrophobicContact CD2-CB 4.31Å
305S95.4Very high93.7Very high20 Ų2040.7 Ų40.714%0.1419%0.19CC..EExtended strand (participates in β ladder)trans-89.2-45.5-177-177.20000112.5F102 T135 L303F102-S305 VanDerWaalsContact CZ-C 3.49Å; F102-S305 WeakPolarHBondContact CZ-O 3.28Å; T135-S305 WeakPolarHBondContact O-CA 3.4Å; T135-S305 WeakPolarHBondContact O-CB 3.42Å; T135-S305 PolarHBondContact O-N 3.5Å; L303-S305 PolarHBondContact O-N 3.05Å
306K95.6Very high93.5Very high134 Ų13442.8 Ų42.858%0.58320%0.203SC*.EExtended strand (participates in β ladder)trans-149.7145175.3-46.5172.3177.9170.70108.9T135T135-K306 HydrophobicContact CG2-CB 4.4Å; T135-K306 PolarHBondContact N-O 3.43Å; T135-K306 PolarHBondContact O-N 2.85Å; T135-K306 VanDerWaalsContact O-N 3.15Å; T135-K306 WeakPolarHBondContact OG1-CA 3.46Å; T135-K306 WeakPolarHBondContact OG1-CB 3.48Å; T135-K306 WeakPolarHBondContact OG1-CG 3.18Å; T135-K306 PolarHBondContact OG1-N 3.41Å; T135-K306 PolarHBondContact OG1-O 2.81Å
307A95.4Very high93.2Very high0 Ų039.2 Ų39.20%018%0.182CC..EExtended strand (participates in β ladder)trans-123.6125.8170.800000109.3F102 M103 S104 L134 L304F102-A307 HydrophobicContact CD1-CB 4.48Å; F102-A307 HydrophobicContact CE1-CB 4.28Å; M103-A307 HydrophobicContact CG-CB 3.91Å; S104-A307 PolarHBondContact N-O 3.17Å; S104-A307 PolarHBondContact OG-O 2.89Å; S104-A307 VanDerWaalsContact OG-O 3.07Å; L134-A307 HydrophobicContact CD2-CB 3.59Å; L304-A307 HydrophobicContact CD1-CB 4.49Å; L304-A307 HydrophobicContact CD2-CB 4.31Å
308R95.5Very high92.9Very high106 Ų10643.3 Ų43.340%0.420%0.202SC..EExtended strand (participates in β ladder)trans-124.2119.7-178.4-177.6-178.1176.1-176.5-0.1110.8Y20 S104 Y132 H133 V310Y20-R308 PolarHBondContact OH-NE 3.45Å; Y20-R308 VanDerWaalsContact OH-NE 3.16Å; S104-R308 CarbonylContact O-C 3.57Å; S104-R308 WeakPolarHBondContact O-CA 3.36Å; Y132-R308 CarbonylContact C-O 3.57Å; Y132-R308 VanDerWaalsContact CA-O 3.29Å; Y132-R308 WeakPolarHBondContact CA-O 2.88Å; H133-R308 PolarHBondContact N-O 2.9Å; H133-R308 PolarHBondContact O-N 2.89Å; R308-V310 HydrophobicContact CG-CG2 4.13Å; R308-V310 PolarHBondContact O-N 2.77Å
309R95.3Very high92.5Very high0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-75.5112.8167.7-165.9158.574.6-1692.4109.3D97 L99 S104 G105 V106 Y132 H312D97-R309 PolarHBondContact O-NH1 2.9Å; D97-R309 VanDerWaalsContact O-NH1 3.08Å; L99-R309 HydrophobicContact CD1-CB 4.43Å; L99-R309 HydrophobicContact CD2-CB 4.24Å; S104-R309 PolarHBondContact O-N 2.99Å; G105-R309 CarbonylContact C-O 3.58Å; G105-R309 WeakPolarHBondContact CA-O 3.25Å; V106-R309 PolarHBondContact N-O 2.65Å; V106-R309 PolarHBondContact O-NE 3.33Å; V106-R309 PolarHBondContact O-NH2 3.31Å; Y132-R309 HydrophobicContact CD1-CB 3.86Å; Y132-R309 HydrophobicContact CD1-CG 4.25Å; Y132-R309 HydrophobicContact CE1-CB 3.48Å; Y132-R309 VanDerWaalsContact CE1-CB 3.48Å; Y132-R309 HydrophobicContact CE1-CG 3.75Å; Y132-R309 VanDerWaalsContact OH-CD 3.24Å; Y132-R309 WeakPolarHBondContact OH-CD 3.47Å; R309-H312 VanDerWaalsContact CZ-ND1 3.26Å; R309-H312 PolarHBondContact NE-ND1 3.32Å; R309-H312 PolarHBondContact NH1-ND1 3.42Å
310V94.7Very high92.3Very high38 Ų3835 Ų3523%0.2317%0.174CC..EExtended strand (participates in β ladder)trans-94.7-29.9178.8170.70000111.4T131 H133 R308 T316 A317T131-V310 PolarHBondContact O-N 3.19Å; H133-V310 HydrophobicContact CB-CG2 4.48Å; H133-V310 WeakPolarHBondContact CD2-CG2 3.08Å; R308-V310 HydrophobicContact CG-CG2 4.13Å; R308-V310 PolarHBondContact O-N 2.77Å; V310-T316 CarbonylContact O-C 3.56Å; V310-A317 PolarHBondContact O-N 2.86Å
311R92.7Very high92.1Very high98 Ų9834.4 Ų34.437%0.3717%0.17SC..EExtended strand (participates in β ladder)trans-141.9143.3-179.5-171.2-179.2177.4-142.6-6.2110.8K130 T131 G313 I315 T316K130-R311 WeakPolarHBondContact CA-O 2.81Å; T131-R311 PolarHBondContact N-O 3.41Å; T131-R311 PolarHBondContact O-N 3.18Å; R311-G313 VanDerWaalsContact CG-O 3.27Å; R311-G313 WeakPolarHBondContact CG-O 3.47Å; R311-G313 PolarHBondContact NE-O 3.24Å; R311-G313 PolarHBondContact NH2-O 3.05Å; R311-G313 VanDerWaalsContact NH2-O 3.07Å; R311-I315 CarbonylContact C-O 3.58Å; R311-I315 WeakPolarHBondContact CA-O 3.45Å; R311-I315 WeakPolarHBondContact CG-O 3.38Å; R311-T316 HydrophobicContact CG-CG2 4.33Å
312H90Very high91.9Very high1 Ų137.4 Ų37.41%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-131.295.2171.9-165.6105.6000108.3D97 V106 V108 F123 K130 R309 I315D97-H312 IonicContact OD2-CE1 3.68Å; D97-H312 PolarHBondContact OD2-CE1 3.21Å; D97-H312 IonicContact OD2-NE2 2.86Å; V106-H312 HydrophobicContact CG1-CB 4.37Å; V108-H312 HydrophobicContact CG2-CB 4.2Å; F123-H312 AromaticContact CE1-CD2 3.38Å; F123-H312 WeakPolarHBondContact CE1-CD2 3.41Å; F123-H312 AromaticContact CE1-NE2 3.18Å; F123-H312 WeakPolarHBondContact CE1-NE2 3.3Å; F123-H312 AromaticContact CZ-CD2 3.31Å; F123-H312 WeakPolarHBondContact CZ-CD2 3.4Å; F123-H312 AromaticContact CZ-NE2 3.68Å; K130-H312 WeakPolarHBondContact CE-CE1 2.99Å; R309-H312 VanDerWaalsContact CZ-ND1 3.26Å; R309-H312 PolarHBondContact NE-ND1 3.32Å; R309-H312 PolarHBondContact NH1-ND1 3.42Å; H312-I315 PolarHBondContact N-O 3.2Å; H312-I315 PolarHBondContact O-N 3.18Å
313G85.3Confident91.6Very high7 Ų739.3 Ų39.37%0.07219%0.193CC..THydrogen-bonded Turntrans58.8-125.6-173.300000112L129 R311 I315L129-G313 WeakPolarHBondContact O-CA 3.37Å; L129-G313 PolarHBondContact O-N 3.04Å; R311-G313 VanDerWaalsContact CG-O 3.27Å; R311-G313 WeakPolarHBondContact CG-O 3.47Å; R311-G313 PolarHBondContact NE-O 3.24Å; R311-G313 PolarHBondContact NH2-O 3.05Å; R311-G313 VanDerWaalsContact NH2-O 3.07Å; G313-I315 PolarHBondContact O-N 2.91Å
314P85.4Confident91.3Very high29 Ų2946.2 Ų46.219%0.18822%0.223CC..THydrogen-bonded Turntrans-75.5-13.517934.5-34000112.9W128 L396W128-P314 HydrophobicContact CE3-CG 4.13Å; W128-P314 HydrophobicContact CH2-CG 3.86Å; W128-P314 HydrophobicContact CZ2-CG 4.42Å; W128-P314 HydrophobicContact CZ3-CG 3.6Å; P314-L396 HydrophobicContact CB-CB 4.11Å; P314-L396 HydrophobicContact CG-CB 4.36Å
315I89.6Confident90.9Very high0 Ų048.3 Ų48.30%023%0.233CC..EExtended strand (participates in β ladder)trans-88.1120.4-175.5-56.3175000109.9I16 C18 V106 V108 F123 R311 H312 G313 N319I16-I315 HydrophobicContact CG2-CD1 4.15Å; C18-I315 HydrophobicContact CB-CG2 3.83Å; C18-I315 WeakPolarHBondContact SG-CG2 3.48Å; V106-I315 HydrophobicContact CG1-CG2 3.96Å; V108-I315 HydrophobicContact CG1-CD1 3.96Å; V108-I315 HydrophobicContact CG2-CD1 3.89Å; F123-I315 HydrophobicContact CE2-CD1 3.9Å; F123-I315 HydrophobicContact CZ-CD1 4.28Å; R311-I315 CarbonylContact C-O 3.58Å; R311-I315 WeakPolarHBondContact CA-O 3.45Å; R311-I315 WeakPolarHBondContact CG-O 3.38Å; H312-I315 PolarHBondContact N-O 3.2Å; H312-I315 PolarHBondContact O-N 3.18Å; G313-I315 PolarHBondContact O-N 2.91Å; I315-N319 HydrophobicContact CG2-CB 4.4Å
316T90.9Very high90.5Very high43 Ų4347.4 Ų47.426%0.26423%0.227SC..EExtended strand (participates in β ladder)trans-99.9169176.161.50000111.6V310 R311 E318 N319V310-T316 CarbonylContact O-C 3.56Å; R311-T316 HydrophobicContact CG-CG2 4.33Å; T316-E318 PolarHBondContact O-N 2.9Å; T316-N319 PolarHBondContact O-N 2.84Å
317A88.7Confident89.8Confident21 Ų2145.7 Ų45.717%0.17422%0.22CC..G310 helixtrans-63.5-24.2175.500000114.2V106 V310 N319 S320V106-A317 HydrophobicContact CG2-CB 3.75Å; V310-A317 PolarHBondContact O-N 2.86Å; A317-N319 VanDerWaalsContact C-N 3.28Å; A317-S320 WeakPolarHBondContact O-CB 3.25Å; A317-S320 PolarHBondContact O-N 2.85Å; A317-S320 PolarHBondContact O-OG 2.82Å
318E87.9Confident88.8Confident158 Ų15851.3 Ų51.374%0.73825%0.25SS*.G310 helixtrans-69.2-32.2176.3-61.8177.2173.600111.4T316 S320T316-E318 PolarHBondContact O-N 2.9Å; E318-S320 PolarHBondContact O-N 2.9Å
319N86.7Confident88.2Confident38 Ų3846.7 Ų46.720%0.20323%0.233CC..G310 helixtrans-83.912.4175.8-58.4-17.4000112.1C18 I315 T316 A317 N389 L396C18-N319 WeakPolarHBondContact CB-O 3.31Å; I315-N319 HydrophobicContact CG2-CB 4.4Å; T316-N319 PolarHBondContact O-N 2.84Å; A317-N319 VanDerWaalsContact C-N 3.28Å; N319-N389 PolarHBondContact O-ND2 2.81Å; N319-L396 WeakPolarHBondContact ND2-CD1 3.25Å
320S90.2Very high87.6Confident7 Ų748 Ų485%0.04924%0.242CC..PPolyproline II helixtrans-102.5129.6-177.871.50000111.7C18 A317 E318C18-S320 VanDerWaalsContact SG-CA 3.52Å; C18-S320 WeakPolarHBondContact SG-CB 3.42Å; A317-S320 WeakPolarHBondContact O-CB 3.25Å; A317-S320 PolarHBondContact O-N 2.85Å; A317-S320 PolarHBondContact O-OG 2.82Å; E318-S320 PolarHBondContact O-N 2.9Å
321L91.8Very high87.1Confident1 Ų150.3 Ų50.31%0.00525%0.252CS..BIsolated β-bridgetrans-75.1127.2175.2-63.7177.8000110.4L17 C18 V19 Y20 H325 L326 V386 N389L17-L321 HydrophobicContact CD1-CD1 3.71Å; C18-L321 PolarHBondContact O-N 2.91Å; V19-L321 CarbonylContact C-O 3.52Å; V19-L321 VanDerWaalsContact CA-O 3.3Å; V19-L321 WeakPolarHBondContact CA-O 3.2Å; V19-L321 WeakPolarHBondContact CG1-O 3.44Å; Y20-L321 PolarHBondContact N-O 2.77Å; L321-H325 HydrophobicContact CD2-CB 4.08Å; L321-L326 HydrophobicContact CB-CD2 4.43Å; L321-L326 HydrophobicContact CD1-CD2 3.72Å; L321-V386 HydrophobicContact CD1-CB 4.5Å; L321-V386 HydrophobicContact CD1-CG2 4.25Å; L321-N389 HydrophobicContact CD1-CB 3.77Å; L321-N389 HydrophobicContact CD2-CB 3.97Å; L321-N389 HydrophobicContact CG-CB 3.82Å; L321-N389 WeakPolarHBondContact CG-ND2 3.29Å
322L92.2Very high86.6Confident75 Ų7551.2 Ų51.239%0.39326%0.26SS..PPolyproline II helixtrans-75.7154.9163.1-70.671.5000109.8K324 H325L322-K324 HydrophobicContact CB-CG 4.04Å; L322-K324 PolarHBondContact O-N 3.43Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 3.47Å
323M89.6Confident86.3Confident48 Ų4851.6 Ų51.624%0.23626%0.262CS..G310 helixtrans-50.4-35.5178-71.5-58.7-53.800113.7N33 V34 H325 L326 H327N33-M323 HydrophobicContact CB-CE 3.69Å; V34-M323 HydrophobicContact CG2-CE 4.37Å; V34-M323 HydrophobicContact CG2-SD 3.92Å; M323-H325 PolarHBondContact O-N 3.26Å; M323-L326 HydrophobicContact CE-CD1 4.21Å; M323-L326 PolarHBondContact O-N 2.9Å; M323-L326 VanDerWaalsContact O-N 3.17Å; M323-L326 HydrophobicContact SD-CD1 3.94Å; M323-H327 PolarHBondContact O-CE1 2.88Å; M323-H327 VanDerWaalsContact O-CE1 3.26Å; M323-H327 PolarHBondContact O-ND1 2.64Å
324K88.2Confident86.2Confident146 Ų14651.9 Ų51.964%0.63526%0.261SS*.G310 helixtrans-60.7-27.8177.465.7-178.5-176.8179.70113.9L322 L326L322-K324 HydrophobicContact CB-CG 4.04Å; L322-K324 PolarHBondContact O-N 3.43Å; K324-L326 VanDerWaalsContact C-N 3.34Å
325H87.4Confident86.2Confident45 Ų4554.9 Ų54.921%0.20827%0.273CS..G310 helixtrans-81.5-15.1-179.6-60.6-65.6000113.1L321 L322 M323L321-H325 HydrophobicContact CD2-CB 4.08Å; L322-H325 WeakPolarHBondContact O-CB 3.43Å; L322-H325 PolarHBondContact O-N 3.47Å; M323-H325 PolarHBondContact O-N 3.26Å
326L86.4Confident85.9Confident1 Ų156.7 Ų56.71%0.00528%0.281CS..G310 helixtrans-85.7-11.2179.8-63.6174.4000113.6V19 V34 S37 L38 L321 M323 K324 V386V19-L326 HydrophobicContact CG1-CD1 4.47Å; V19-L326 HydrophobicContact CG2-CD1 4.5Å; V34-L326 HydrophobicContact CB-CD1 4.22Å; V34-L326 HydrophobicContact CG1-CD1 3.98Å; V34-L326 HydrophobicContact CG2-CD1 3.71Å; S37-L326 WeakPolarHBondContact OG-CB 3.38Å; S37-L326 PolarHBondContact OG-O 3.48Å; L38-L326 HydrophobicContact CD2-CD2 4.27Å; L321-L326 HydrophobicContact CB-CD2 4.43Å; L321-L326 HydrophobicContact CD1-CD2 3.72Å; M323-L326 HydrophobicContact CE-CD1 4.21Å; M323-L326 PolarHBondContact O-N 2.9Å; M323-L326 VanDerWaalsContact O-N 3.17Å; M323-L326 HydrophobicContact SD-CD1 3.94Å; K324-L326 VanDerWaalsContact C-N 3.34Å; L326-V386 HydrophobicContact CD2-CG2 3.85Å
327H81.1Confident85.5Confident98 Ų9854.7 Ų54.745%0.45427%0.269SS..SBendtrans-77.5-35.2-170.4-75.276.2000112.6S37 A41 M323S37-H327 WeakPolarHBondContact OG-CA 3.32Å; S37-H327 PolarHBondContact OG-N 2.98Å; A41-H327 VanDerWaalsContact CB-O 3.31Å; A41-H327 WeakPolarHBondContact CB-O 3.39Å; M323-H327 PolarHBondContact O-CE1 2.88Å; M323-H327 VanDerWaalsContact O-CE1 3.26Å; M323-H327 PolarHBondContact O-ND1 2.64Å
328N76.1Confident85.2Confident117 Ų11754.8 Ų54.863%0.62627%0.267SS*.  trans-133.6128.4-174.6-70.35000111.1
329I81.9Confident85Confident9 Ų952.9 Ų52.95%0.04626%0.258CS..  trans-89.2131161.5-60.8163.4000106.5A41 F42 L45 I331 F333 Y387A41-I329 HydrophobicContact CB-CD1 4.24Å; A41-I329 HydrophobicContact CB-CG1 4.21Å; F42-I329 HydrophobicContact CD1-CD1 3.97Å; F42-I329 HydrophobicContact CD2-CD1 4.41Å; F42-I329 HydrophobicContact CE1-CD1 3.57Å; F42-I329 HydrophobicContact CE2-CD1 4.02Å; F42-I329 HydrophobicContact CG-CD1 4.34Å; F42-I329 HydrophobicContact CZ-CD1 3.55Å; L45-I329 HydrophobicContact CD1-CD1 4.39Å; L45-I329 HydrophobicContact CD2-CB 4.26Å; L45-I329 HydrophobicContact CD2-CG2 4.27Å; I329-I331 PolarHBondContact O-N 2.99Å; I329-F333 HydrophobicContact CG2-CD1 4.08Å; I329-Y387 HydrophobicContact CD1-CE2 4.32Å
330P83.5Confident84.7Confident27 Ų2751.1 Ų51.118%0.17525%0.249CC..  trans-60.2134.9176.9-19.629.7000110.9E332 F333 Y334 Y382 H385P330-E332 PolarHBondContact O-N 3.44Å; P330-F333 HydrophobicContact CB-CB 4.06Å; P330-F333 HydrophobicContact CG-CB 4.33Å; P330-F333 WeakPolarHBondContact O-CB 3.23Å; P330-F333 PolarHBondContact O-N 3.42Å; P330-F333 VanDerWaalsContact O-N 3.17Å; P330-Y334 PolarHBondContact O-N 2.81Å; P330-Y382 HydrophobicContact CB-CD1 4.16Å; P330-Y382 HydrophobicContact CG-CD1 4.34Å; P330-Y382 HydrophobicContact CG-CG 4.48Å; P330-H385 WeakPolarHBondContact CD-CE1 3.35Å; P330-H385 WeakPolarHBondContact CD-ND1 3.35Å; P330-H385 WeakPolarHBondContact CG-CE1 3.5Å; P330-H385 WeakPolarHBondContact CG-NE2 3.27Å
331I82.6Confident84.2Confident88 Ų8851 Ų5145%0.45125%0.248SC..Hα-helixtrans-63-37.2176-60170.7000110.2P46 I329 F333 Y334 H335P46-I331 HydrophobicContact CG-CG2 4.16Å; I329-I331 PolarHBondContact O-N 2.99Å; I331-F333 VanDerWaalsContact C-N 3.3Å; I331-F333 PolarHBondContact O-N 3.31Å; I331-Y334 WeakPolarHBondContact O-CA 3.37Å; I331-Y334 WeakPolarHBondContact O-CB 3.42Å; I331-Y334 PolarHBondContact O-N 3.09Å; I331-Y334 VanDerWaalsContact O-N 3.07Å; I331-H335 WeakPolarHBondContact CG2-NE2 3.41Å; I331-H335 PolarHBondContact O-CD2 3.02Å; I331-H335 VanDerWaalsContact O-CD2 3.27Å; I331-H335 PolarHBondContact O-N 3.24Å
332E83.5Confident83.7Confident116 Ų11652.5 Ų52.554%0.54226%0.255SS..Hα-helixtrans-58.9-39175.3-55.4-56.1155.700112.7P330 Y334 H335 E336 Y382P330-E332 PolarHBondContact O-N 3.44Å; E332-Y334 VanDerWaalsContact C-N 3.33Å; E332-Y334 PolarHBondContact O-N 3.24Å; E332-H335 PolarHBondContact O-N 2.63Å; E332-E336 PolarHBondContact O-N 3.02Å; E332-Y382 HydrophobicContact CB-CD1 4.37Å; E332-Y382 HydrophobicContact CB-CE1 3.35Å; E332-Y382 WeakPolarHBondContact CB-OH 3.38Å; E332-Y382 HydrophobicContact CG-CE1 4.25Å
333F83.7Confident83.1Confident9 Ų951.6 Ų51.64%0.03925%0.251CS..Hα-helixtrans-64-39.4175.1178.7-95.9000111.5L9 I329 P330 I331 H335 E336 F337 M375 T378 Y382 Y387L9-F333 HydrophobicContact CD1-CE1 4.18Å; I329-F333 HydrophobicContact CG2-CD1 4.08Å; P330-F333 HydrophobicContact CB-CB 4.06Å; P330-F333 HydrophobicContact CG-CB 4.33Å; P330-F333 WeakPolarHBondContact O-CB 3.23Å; P330-F333 PolarHBondContact O-N 3.42Å; P330-F333 VanDerWaalsContact O-N 3.17Å; I331-F333 VanDerWaalsContact C-N 3.3Å; I331-F333 PolarHBondContact O-N 3.31Å; F333-H335 VanDerWaalsContact C-N 3.35Å; F333-E336 PolarHBondContact O-N 3.35Å; F333-F337 WeakPolarHBondContact O-CB 3.47Å; F333-F337 PolarHBondContact O-N 3.35Å; F333-M375 HydrophobicContact CE2-CE 3.59Å; F333-M375 HydrophobicContact CZ-CE 3.65Å; F333-T378 HydrophobicContact CD2-CG2 3.85Å; F333-T378 HydrophobicContact CE2-CG2 3.82Å; F333-Y382 HydrophobicContact CB-CD2 4.19Å; F333-Y382 HydrophobicContact CB-CE2 4.3Å; F333-Y382 HydrophobicContact CB-CG 4.48Å; F333-Y382 AromaticContact CD2-CD2 3.99Å; F333-Y382 HydrophobicContact CD2-CD2 3.99Å; F333-Y382 HydrophobicContact CD2-CE2 4.35Å; F333-Y387 HydrophobicContact CD1-CD2 4.27Å; F333-Y387 AromaticContact CE1-CD2 3.42Å; F333-Y387 HydrophobicContact CE1-CD2 3.42Å; F333-Y387 VanDerWaalsContact CE1-CD2 3.42Å; F333-Y387 AromaticContact CE1-CE2 3.97Å; F333-Y387 HydrophobicContact CE1-CE2 3.97Å; F333-Y387 AromaticContact CE1-CG 3.92Å; F333-Y387 HydrophobicContact CE1-CG 3.92Å; F333-Y387 AromaticContact CZ-CD2 3.91Å; F333-Y387 HydrophobicContact CZ-CD2 3.91Å; F333-Y387 AromaticContact CZ-CG 3.95Å; F333-Y387 HydrophobicContact CZ-CG 3.95Å
334Y83.5Confident82.5Confident13 Ų1351.1 Ų51.15%0.05125%0.25CC..Hα-helixtrans-64.7-38.2173.5175.9-100.7000112P4 R6 L9 L45 P46 P330 I331 E332 F337 V338P4-Y334 PolarHBondContact O-OH 3.27Å; R6-Y334 HydrophobicContact CG-CE2 4.38Å; L9-Y334 HydrophobicContact CD2-CD2 3.81Å; L45-Y334 HydrophobicContact CD1-CD2 4.31Å; L45-Y334 HydrophobicContact CD2-CG 4.36Å; P46-Y334 HydrophobicContact CB-CE1 4.13Å; P46-Y334 HydrophobicContact CG-CD1 3.88Å; P46-Y334 HydrophobicContact CG-CE1 3.99Å; P330-Y334 PolarHBondContact O-N 2.81Å; I331-Y334 WeakPolarHBondContact O-CA 3.37Å; I331-Y334 WeakPolarHBondContact O-CB 3.42Å; I331-Y334 PolarHBondContact O-N 3.09Å; I331-Y334 VanDerWaalsContact O-N 3.07Å; E332-Y334 VanDerWaalsContact C-N 3.33Å; E332-Y334 PolarHBondContact O-N 3.24Å; Y334-F337 HydrophobicContact CD2-CD1 4.43Å; Y334-F337 HydrophobicContact CE2-CD1 4.46Å; Y334-F337 WeakPolarHBondContact O-CB 3.05Å; Y334-F337 PolarHBondContact O-N 3.47Å; Y334-V338 HydrophobicContact CD1-CG2 4.25Å; Y334-V338 HydrophobicContact CE1-CG2 3.81Å; Y334-V338 HydrophobicContact CE2-CG2 4.2Å; Y334-V338 VanDerWaalsContact O-CG2 3.27Å; Y334-V338 WeakPolarHBondContact O-CG2 3.42Å; Y334-V338 PolarHBondContact O-N 2.7Å
335H84.3Confident81.8Confident93 Ų9344.7 Ų44.743%0.43122%0.222SC..Hα-helixtrans-66-40.9174.8-71.5-54.4000112.8I331 E332 F333 F337 V338 Q339I331-H335 WeakPolarHBondContact CG2-NE2 3.41Å; I331-H335 PolarHBondContact O-CD2 3.02Å; I331-H335 VanDerWaalsContact O-CD2 3.27Å; I331-H335 PolarHBondContact O-N 3.24Å; E332-H335 PolarHBondContact O-N 2.63Å; F333-H335 VanDerWaalsContact C-N 3.35Å; H335-F337 VanDerWaalsContact C-N 3.31Å; H335-F337 PolarHBondContact O-N 3.43Å; H335-V338 PolarHBondContact O-N 3.14Å; H335-Q339 PolarHBondContact O-N 3.35Å
336E83.2Confident81.3Confident37 Ų3747.9 Ų47.917%0.17324%0.238CC..Hα-helixtrans-63.1-38.1173-74.6-170.5-171.400112.1E332 F333 Q339 C340 T378 Y382E332-E336 PolarHBondContact O-N 3.02Å; F333-E336 PolarHBondContact O-N 3.35Å; E336-Q339 PolarHBondContact O-N 3.17Å; E336-C340 WeakPolarHBondContact O-CB 3.35Å; E336-C340 PolarHBondContact O-N 3.13Å; E336-T378 WeakPolarHBondContact OE2-CG2 3.32Å; E336-Y382 WeakPolarHBondContact OE1-CE2 3.32Å; E336-Y382 PolarHBondContact OE1-OH 2.81Å; E336-Y382 WeakPolarHBondContact OE2-CE2 3.34Å
337F83.6Confident80.7Confident1 Ų152.7 Ų52.70%0.00426%0.261CS..Hα-helixtrans-59.5-48.9172.8172.6-107.4000111.9P4 Q8 L9 L12 F333 Y334 H335 Q339 C340 I341 L370 L374P4-F337 HydrophobicContact CB-CE1 4.05Å; P4-F337 HydrophobicContact CG-CE1 4.37Å; Q8-F337 HydrophobicContact CB-CE1 4.36Å; Q8-F337 HydrophobicContact CB-CZ 3.98Å; L9-F337 HydrophobicContact CB-CD1 4.11Å; L9-F337 HydrophobicContact CB-CE1 3.7Å; L9-F337 HydrophobicContact CB-CZ 3.98Å; L9-F337 HydrophobicContact CD1-CD1 4.37Å; L9-F337 HydrophobicContact CD1-CD2 4.16Å; L9-F337 HydrophobicContact CD1-CE1 4.5Å; L9-F337 HydrophobicContact CD1-CE2 4.3Å; L9-F337 HydrophobicContact CD1-CG 4.17Å; L9-F337 HydrophobicContact CD1-CZ 4.43Å; L12-F337 HydrophobicContact CD1-CD2 4.27Å; L12-F337 HydrophobicContact CD1-CE2 3.49Å; L12-F337 VanDerWaalsContact CD1-CE2 3.49Å; L12-F337 HydrophobicContact CD1-CZ 4.18Å; F333-F337 WeakPolarHBondContact O-CB 3.47Å; F333-F337 PolarHBondContact O-N 3.35Å; Y334-F337 HydrophobicContact CD2-CD1 4.43Å; Y334-F337 HydrophobicContact CE2-CD1 4.46Å; Y334-F337 WeakPolarHBondContact O-CB 3.05Å; Y334-F337 PolarHBondContact O-N 3.47Å; H335-F337 VanDerWaalsContact C-N 3.31Å; H335-F337 PolarHBondContact O-N 3.43Å; F337-Q339 VanDerWaalsContact C-N 3.28Å; F337-Q339 PolarHBondContact O-N 3.05Å; F337-C340 WeakPolarHBondContact O-CB 3.37Å; F337-C340 PolarHBondContact O-N 3.47Å; F337-I341 HydrophobicContact CD1-CD1 4.32Å; F337-I341 HydrophobicContact CD2-CD1 4.22Å; F337-I341 HydrophobicContact CE1-CD1 3.61Å; F337-I341 HydrophobicContact CE2-CD1 3.49Å; F337-I341 VanDerWaalsContact CE2-CD1 3.49Å; F337-I341 HydrophobicContact CE2-CG1 4.24Å; F337-I341 HydrophobicContact CZ-CD1 3.16Å; F337-I341 HydrophobicContact CZ-CG1 4.33Å; F337-I341 PolarHBondContact O-N 3.28Å; F337-I341 VanDerWaalsContact O-N 3.11Å; F337-L370 HydrophobicContact CE2-CD2 4.21Å; F337-L374 HydrophobicContact CB-CD2 4.27Å; F337-L374 HydrophobicContact CD2-CD1 3.53Å; F337-L374 HydrophobicContact CD2-CD2 3.95Å; F337-L374 HydrophobicContact CD2-CG 4.38Å; F337-L374 HydrophobicContact CE2-CD1 3.99Å
338V82Confident80.1Confident24 Ų2451.1 Ų51.115%0.14526%0.256CS..Hα-helixtrans-59-41.8176.9168.80000111.4P4 Y334 H335 N342P4-V338 HydrophobicContact CG-CB 4.02Å; P4-V338 HydrophobicContact CG-CG1 4.15Å; P4-V338 HydrophobicContact CG-CG2 3.81Å; Y334-V338 HydrophobicContact CD1-CG2 4.25Å; Y334-V338 HydrophobicContact CE1-CG2 3.81Å; Y334-V338 HydrophobicContact CE2-CG2 4.2Å; Y334-V338 VanDerWaalsContact O-CG2 3.27Å; Y334-V338 WeakPolarHBondContact O-CG2 3.42Å; Y334-V338 PolarHBondContact O-N 2.7Å; H335-V338 PolarHBondContact O-N 3.14Å; V338-N342 PolarHBondContact O-N 3.38Å; V338-N342 VanDerWaalsContact O-N 3.13Å; V338-N342 PolarHBondContact O-ND2 3.35Å
339Q83Confident79.6Confident117 Ų11751.9 Ų51.955%0.54725%0.254SS..Hα-helixtrans-65.4-42.7177.1-171.9174.54.700111.7H335 E336 F337 I341 N342 D343H335-Q339 PolarHBondContact O-N 3.35Å; E336-Q339 PolarHBondContact O-N 3.17Å; F337-Q339 VanDerWaalsContact C-N 3.28Å; F337-Q339 PolarHBondContact O-N 3.05Å; Q339-I341 PolarHBondContact O-N 3.03Å; Q339-N342 PolarHBondContact O-N 2.94Å; Q339-D343 VanDerWaalsContact O-CG 3.26Å; Q339-D343 PolarHBondContact O-N 3.32Å
340C81.4Confident78.6Confident1 Ų159.3 Ų59.31%0.00729%0.286CS..Hα-helixtrans-60.9-43.4179.8-166.50000112.5E336 F337 D343 L344 L374E336-C340 WeakPolarHBondContact O-CB 3.35Å; E336-C340 PolarHBondContact O-N 3.13Å; F337-C340 WeakPolarHBondContact O-CB 3.37Å; F337-C340 PolarHBondContact O-N 3.47Å; C340-D343 PolarHBondContact O-N 3.03Å; C340-L344 WeakPolarHBondContact O-CG 3.39Å; C340-L344 PolarHBondContact O-N 3.39Å; C340-L344 VanDerWaalsContact O-N 3.11Å; C340-L374 HydrophobicContact CB-CD2 3.43Å; C340-L374 VanDerWaalsContact CB-CD2 3.43Å; C340-L374 HydrophobicContact CB-CG 4.48Å
341I79.3Confident77.3Confident6 Ų665.3 Ų65.33%0.03131%0.311CS..Hα-helixtrans-68.6-39.4177.1-69.9173.7000111.2Y2 P4 F337 Q339 D343 L344 L345 L370Y2-I341 HydrophobicContact CD1-CG2 4.11Å; Y2-I341 HydrophobicContact CE1-CG2 4.39Å; P4-I341 HydrophobicContact CB-CB 4.14Å; P4-I341 HydrophobicContact CB-CD1 3.34Å; P4-I341 HydrophobicContact CB-CG1 4.31Å; P4-I341 HydrophobicContact CB-CG2 4Å; P4-I341 HydrophobicContact CG-CB 3.98Å; P4-I341 HydrophobicContact CG-CD1 3.86Å; P4-I341 HydrophobicContact CG-CG1 4.46Å; P4-I341 HydrophobicContact CG-CG2 4.17Å; F337-I341 HydrophobicContact CD1-CD1 4.32Å; F337-I341 HydrophobicContact CD2-CD1 4.22Å; F337-I341 HydrophobicContact CE1-CD1 3.61Å; F337-I341 HydrophobicContact CE2-CD1 3.49Å; F337-I341 VanDerWaalsContact CE2-CD1 3.49Å; F337-I341 HydrophobicContact CE2-CG1 4.24Å; F337-I341 HydrophobicContact CZ-CD1 3.16Å; F337-I341 HydrophobicContact CZ-CG1 4.33Å; F337-I341 PolarHBondContact O-N 3.28Å; F337-I341 VanDerWaalsContact O-N 3.11Å; Q339-I341 PolarHBondContact O-N 3.03Å; I341-D343 VanDerWaalsContact C-N 3.28Å; I341-D343 PolarHBondContact O-N 3.27Å; I341-L344 PolarHBondContact O-N 2.99Å; I341-L345 HydrophobicContact CG2-CD1 3.91Å; I341-L345 HydrophobicContact CG2-CG 4.35Å; I341-L345 WeakPolarHBondContact O-CB 3.41Å; I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 3.44Å; I341-L370 HydrophobicContact CD1-CD2 4.46Å; I341-L370 HydrophobicContact CG1-CD2 4.42Å
342N80.4Confident75.6Confident31 Ų3166.4 Ų66.417%0.16632%0.318CS..Hα-helixtrans-61.6-38.1175.3-83-63.8000111.9Y2 V338 Q339 L345 M346Y2-N342 PolarHBondContact N-OD1 2.81Å; Y2-N342 PolarHBondContact O-ND2 3.34Å; Y2-N342 PolarHBondContact O-OD1 3.16Å; Y2-N342 VanDerWaalsContact O-OD1 3.07Å; V338-N342 PolarHBondContact O-N 3.38Å; V338-N342 VanDerWaalsContact O-N 3.13Å; V338-N342 PolarHBondContact O-ND2 3.35Å; Q339-N342 PolarHBondContact O-N 2.94Å; N342-L345 PolarHBondContact O-N 3.49Å; N342-M346 WeakPolarHBondContact O-CG 3.13Å; N342-M346 PolarHBondContact O-N 2.95Å
343D81.4Confident74Confident56 Ų5670.1 Ų70.130%0.29933%0.332SS..Hα-helixtrans-64-46.3175.5-66.9-20.7000111.6Q339 C340 I341 L345 M346 E347 R377Q339-D343 VanDerWaalsContact O-CG 3.26Å; Q339-D343 PolarHBondContact O-N 3.32Å; C340-D343 PolarHBondContact O-N 3.03Å; I341-D343 VanDerWaalsContact C-N 3.28Å; I341-D343 PolarHBondContact O-N 3.27Å; D343-L345 PolarHBondContact O-N 3.4Å; D343-M346 WeakPolarHBondContact O-CB 3.1Å; D343-M346 PolarHBondContact O-N 3.34Å; D343-M346 VanDerWaalsContact O-N 3.11Å; D343-E347 PolarHBondContact O-N 3.27Å; D343-R377 IonicContact OD2-CZ 3.25Å; D343-R377 VanDerWaalsContact OD2-CZ 3.25Å; D343-R377 IonicContact OD2-NH1 2.68Å; D343-R377 PolarHBondContact OD2-NH1 3.37Å; D343-R377 IonicContact OD2-NH2 2.89Å; D343-R377 PolarHBondContact OD2-NH2 3.08Å
344L75.2Confident71.8Confident39 Ų3977.8 Ų77.820%0.20437%0.368CS..Hα-helixtrans-61.4-41.5176.7-70.7172.7000112.3C340 I341 M346 E347 N348 L370 L373C340-L344 WeakPolarHBondContact O-CG 3.39Å; C340-L344 PolarHBondContact O-N 3.39Å; C340-L344 VanDerWaalsContact O-N 3.11Å; I341-L344 PolarHBondContact O-N 2.99Å; L344-M346 VanDerWaalsContact C-N 3.29Å; L344-M346 PolarHBondContact O-N 3.45Å; L344-E347 PolarHBondContact O-N 3.28Å; L344-N348 PolarHBondContact O-N 3.44Å; L344-L370 HydrophobicContact CD1-CD1 3.63Å; L344-L373 HydrophobicContact CD2-CD1 4.42Å
345L75.1Confident70.2Confident11 Ų1183.3 Ų83.36%0.05841%0.405CS..Hα-helixtrans-64.1-33.6174.6-77.1169.8000112.7Y2 I341 N342 D343 K349 I359 M361Y2-L345 HydrophobicContact CD1-CD1 3.58Å; Y2-L345 HydrophobicContact CE1-CD1 4.5Å; Y2-L345 HydrophobicContact CG-CD1 3.58Å; I341-L345 HydrophobicContact CG2-CD1 3.91Å; I341-L345 HydrophobicContact CG2-CG 4.35Å; I341-L345 WeakPolarHBondContact O-CB 3.41Å; I341-L345 WeakPolarHBondContact O-CG 3.44Å; I341-L345 PolarHBondContact O-N 3.44Å; N342-L345 PolarHBondContact O-N 3.49Å; D343-L345 PolarHBondContact O-N 3.4Å; L345-K349 VanDerWaalsContact O-CG 3.31Å; L345-K349 WeakPolarHBondContact O-CG 3.28Å; L345-K349 PolarHBondContact O-N 3.16Å; L345-K349 VanDerWaalsContact O-N 3.14Å; L345-I359 HydrophobicContact CD2-CG2 4.43Å; L345-M361 HydrophobicContact CD2-CB 4.41Å; L345-M361 HydrophobicContact CD2-CG 4.13Å; L345-M361 HydrophobicContact CD2-SD 3.32Å; L345-M361 WeakPolarHBondContact CD2-SD 3.22Å; L345-M361 HydrophobicContact CG-SD 3.87Å
346M76.5Confident68Low111 Ų11183.8 Ų83.855%0.54742%0.419SS..Hα-helixtrans-72.9-31175.3-71.9-64.1-66.800112.2N342 D343 L344 K350N342-M346 WeakPolarHBondContact O-CG 3.13Å; N342-M346 PolarHBondContact O-N 2.95Å; D343-M346 WeakPolarHBondContact O-CB 3.1Å; D343-M346 PolarHBondContact O-N 3.34Å; D343-M346 VanDerWaalsContact O-N 3.11Å; L344-M346 VanDerWaalsContact C-N 3.29Å; L344-M346 PolarHBondContact O-N 3.45Å; M346-K350 WeakPolarHBondContact O-CG 3.29Å
347E73.4Confident65.5Low102 Ų10289.4 Ų89.448%0.47745%0.449SS..Hα-helixtrans-68.2-49.5171.4-71.2177.9174.700111.1D343 L344 K349 K350 H351D343-E347 PolarHBondContact O-N 3.27Å; L344-E347 PolarHBondContact O-N 3.28Å; E347-K349 VanDerWaalsContact C-N 3.33Å; E347-K349 PolarHBondContact O-N 2.9Å; E347-K350 WeakPolarHBondContact O-CB 3.44Å; E347-K350 PolarHBondContact O-N 3.12Å; E347-H351 PolarHBondContact O-CD2 2.8Å; E347-H351 VanDerWaalsContact O-CD2 3.23Å; E347-H351 PolarHBondContact O-N 3.22Å
348N68Low63.3Low66 Ų6694.6 Ų94.635%0.35348%0.483SS..Hα-helixtrans-59.7-40.2179.1-71.2-13.7000112.6L344 K350 H351 D352L344-N348 PolarHBondContact O-N 3.44Å; N348-K350 PolarHBondContact O-N 2.69Å; N348-H351 PolarHBondContact O-N 3.12Å; N348-D352 PolarHBondContact O-N 3.07Å
349K66.3Low61.2Low133 Ų13396.5 Ų96.558%0.57849%0.492SS*.Hα-helixtrans-62.5-23.2174.3-77.1179.7-176.7-175.50114.8L345 E347 H351 I359L345-K349 VanDerWaalsContact O-CG 3.31Å; L345-K349 WeakPolarHBondContact O-CG 3.28Å; L345-K349 PolarHBondContact O-N 3.16Å; L345-K349 VanDerWaalsContact O-N 3.14Å; E347-K349 VanDerWaalsContact C-N 3.33Å; E347-K349 PolarHBondContact O-N 2.9Å; K349-H351 VanDerWaalsContact C-N 3.33Å; K349-I359 HydrophobicContact CG-CD1 4.45Å
350K60.3Low59.1Low165 Ų16598.2 Ų98.272%0.71750%0.499SS*.Hα-helixtrans-76.8-25.6174.2-69.4171-176.4172.60111.7M346 E347 N348M346-K350 WeakPolarHBondContact O-CG 3.29Å; E347-K350 WeakPolarHBondContact O-CB 3.44Å; E347-K350 PolarHBondContact O-N 3.12Å; N348-K350 PolarHBondContact O-N 2.69Å
351H56.9Low57.2Low153 Ų15399.9 Ų99.971%0.70851%0.508SS*.Hα-helixtrans-83.9-34.4-179.2-71.7-69.7000112.6E347 N348 K349E347-H351 PolarHBondContact O-CD2 2.8Å; E347-H351 VanDerWaalsContact O-CD2 3.23Å; E347-H351 PolarHBondContact O-N 3.22Å; N348-H351 PolarHBondContact O-N 3.12Å; K349-H351 VanDerWaalsContact C-N 3.33Å
352D47.1Very low55.4Low111 Ų111105.6 Ų105.659%0.59454%0.538SS*.  trans-95.5117.1-176.9-74.5-28.7000114.6N348 H354N348-D352 PolarHBondContact O-N 3.07Å; D352-H354 VanDerWaalsContact C-N 3.3Å; D352-H354 PolarHBondContact O-N 2.79Å
353K49.7Very low53.6Low193 Ų193106 Ų10684%0.83954%0.542SS*.  trans-82.513.9177.8-76-177.2177.4176.70115.1
354H37.9Very low51.8Low171 Ų171109.5 Ų109.579%0.79256%0.56SS**  trans-126.492.4179.3-68.9-66.5000112.1D352 S356D352-H354 VanDerWaalsContact C-N 3.3Å; D352-H354 PolarHBondContact O-N 2.79Å; H354-S356 PolarHBondContact O-N 3.39Å
355P48.3Very low50.4Low129 Ų129113.4 Ų113.484%0.83858%0.582SS**  trans-89.479.5-176.735.2-32000110.5
356S38.2Very low49.1Very low102 Ų102118.4 Ų118.471%0.71361%0.605SS**  trans-158.550.9172.564.80000113.3H354H354-S356 PolarHBondContact O-N 3.39Å
357L30.6Very low48Very low156 Ų156117.5 Ų117.582%0.81760%0.602SS**SBendtrans-159.7144.7150.8-94.2149.7000106I359L357-I359 PolarHBondContact O-N 2.89Å; L357-I359 VanDerWaalsContact O-N 3.07Å
358P37.7Very low47.2Very low109 Ų109116.2 Ų116.271%0.70860%0.603SS**  trans-57.6118.8162.1-4.720000104.9E360P358-E360 PolarHBondContact O-N 3.41Å
359I39.6Very low47.2Very low65 Ų65117.1 Ų117.133%0.33361%0.607SS.*  trans-62.189.9164.8-61.7162000103.9L345 K349 L357 M361L345-I359 HydrophobicContact CD2-CG2 4.43Å; K349-I359 HydrophobicContact CG-CD1 4.45Å; L357-I359 PolarHBondContact O-N 2.89Å; L357-I359 VanDerWaalsContact O-N 3.07Å; I359-M361 HydrophobicContact CG2-CB 4.11Å; I359-M361 HydrophobicContact CG2-CG 3.94Å; I359-M361 PolarHBondContact O-N 2.79Å
360E37.2Very low47.4Very low152 Ų152111.7 Ų111.771%0.7159%0.585SS**  trans-53.197.6138-73.5177.1-172.100101.9P358 D362P358-E360 PolarHBondContact O-N 3.41Å; E360-D362 PolarHBondContact O-N 3.34Å
361M41.3Very low48Very low36 Ų36104.5 Ų104.518%0.17755%0.554CS.*  trans-63.991.1158.5-123.8169.282.100100.9L345 I359 V363L345-M361 HydrophobicContact CD2-CB 4.41Å; L345-M361 HydrophobicContact CD2-CG 4.13Å; L345-M361 HydrophobicContact CD2-SD 3.32Å; L345-M361 WeakPolarHBondContact CD2-SD 3.22Å; L345-M361 HydrophobicContact CG-SD 3.87Å; I359-M361 HydrophobicContact CG2-CB 4.11Å; I359-M361 HydrophobicContact CG2-CG 3.94Å; I359-M361 PolarHBondContact O-N 2.79Å; M361-V363 HydrophobicContact CB-CG2 3.7Å; M361-V363 HydrophobicContact CE-CB 4.37Å; M361-V363 HydrophobicContact CE-CG1 4.47Å; M361-V363 HydrophobicContact CE-CG2 3.23Å; M361-V363 HydrophobicContact CG-CG2 3.98Å; M361-V363 PolarHBondContact O-N 2.98Å; M361-V363 HydrophobicContact SD-CG2 4.36Å
362D41.7Very low49Very low126 Ų126101.6 Ų101.667%0.67454%0.539SS*.  trans-53.477.5134.4-68.7-24.3000102.8E360 D364E360-D362 PolarHBondContact O-N 3.34Å; D362-D364 PolarHBondContact O-N 3.5Å
363V43.8Very low50.3Low39 Ų39100 Ų10024%0.23653%0.53CS..  trans-62.295.4155.5-170.3000099.1M361 D365M361-V363 HydrophobicContact CB-CG2 3.7Å; M361-V363 HydrophobicContact CE-CB 4.37Å; M361-V363 HydrophobicContact CE-CG1 4.47Å; M361-V363 HydrophobicContact CE-CG2 3.23Å; M361-V363 HydrophobicContact CG-CG2 3.98Å; M361-V363 PolarHBondContact O-N 2.98Å; M361-V363 HydrophobicContact SD-CG2 4.36Å; V363-D365 VanDerWaalsContact C-N 3.32Å; V363-D365 WeakPolarHBondContact O-CA 3.4Å; V363-D365 PolarHBondContact O-N 2.88Å
364D43.5Very low51.6Low130 Ų13090.9 Ų90.970%0.69549%0.491SS*.  trans-40.2113.2169.9-73.7-50.6000104.5D362 E366D362-D364 PolarHBondContact O-N 3.5Å; D364-E366 PolarHBondContact O-N 2.85Å
365D44.6Very low53.5Low122 Ų12283.7 Ų83.765%0.65246%0.458SS*.SBendtrans-49.5135-167-66.5-73.8000107.5V363V363-D365 VanDerWaalsContact C-N 3.32Å; V363-D365 WeakPolarHBondContact O-CA 3.4Å; V363-D365 PolarHBondContact O-N 2.88Å
366E48.2Very low55Low116 Ų11682.6 Ų82.654%0.54245%0.445SS..  trans85.847.2177.2-44.1172.2-139.800118.9D364 P368D364-E366 PolarHBondContact O-N 2.85Å; E366-P368 WeakPolarHBondContact O-CD 3.27Å
367D53.1Low56.7Low91 Ų9182.5 Ų82.549%0.48743%0.429SS..  trans-77.6100.5158.5-84.3-24.7000110.6D369 L370D367-D369 PolarHBondContact O-N 2.83Å; D367-L370 PolarHBondContact O-N 2.94Å; D367-L370 VanDerWaalsContact O-N 3.12Å
368P57.3Low58.7Low76 Ų7675.5 Ų75.549%0.49439%0.392SS..Hα-helixtrans-59.8-13.4171.828.4-38.3000112.4E366 K372E366-P368 WeakPolarHBondContact O-CD 3.27Å; P368-K372 WeakPolarHBondContact O-CG 3.16Å; P368-K372 PolarHBondContact O-N 2.94Å
369D67.8Low60.1Low84 Ų8478.1 Ų78.145%0.44940%0.395SS..Hα-helixtrans-75.7-29.4179.5-69.1-14000112.7D367 L371 K372 L373D367-D369 PolarHBondContact O-N 2.83Å; D369-L371 VanDerWaalsContact C-N 3.35Å; D369-L371 PolarHBondContact O-N 2.9Å; D369-K372 WeakPolarHBondContact O-CB 3.34Å; D369-K372 PolarHBondContact O-N 3.47Å; D369-K372 WeakPolarHBondContact OD1-CD 3.03Å; D369-K372 IonicContact OD1-NZ 2.76Å; D369-K372 PolarHBondContact OD1-NZ 3.44Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 VanDerWaalsContact O-CG 3.28Å; D369-L373 WeakPolarHBondContact O-CG 3.37Å; D369-L373 PolarHBondContact O-N 2.82Å
370L71Confident61.5Low20 Ų2077.2 Ų77.211%0.10540%0.402CS..Hα-helixtrans-62.9-44.5174.1-177.958.8000110.7L12 F337 I341 L344 D367 K372 L373 L374L12-L370 HydrophobicContact CD1-CD2 4.03Å; L12-L370 HydrophobicContact CD1-CG 4.33Å; L12-L370 HydrophobicContact CD2-CB 4.47Å; L12-L370 HydrophobicContact CD2-CD2 4.25Å; F337-L370 HydrophobicContact CE2-CD2 4.21Å; I341-L370 HydrophobicContact CD1-CD2 4.46Å; I341-L370 HydrophobicContact CG1-CD2 4.42Å; L344-L370 HydrophobicContact CD1-CD1 3.63Å; D367-L370 PolarHBondContact O-N 2.94Å; D367-L370 VanDerWaalsContact O-N 3.12Å; L370-K372 PolarHBondContact O-N 3.02Å; L370-L373 PolarHBondContact O-N 3.06Å; L370-L374 HydrophobicContact CD1-CD1 4.44Å; L370-L374 HydrophobicContact CD1-CG 4.46Å; L370-L374 HydrophobicContact CG-CD1 4.1Å; L370-L374 WeakPolarHBondContact O-CD1 3.06Å; L370-L374 WeakPolarHBondContact O-CG 3.47Å; L370-L374 PolarHBondContact O-N 3.31Å
371L72.8Confident63Low13 Ų1376.8 Ų76.87%0.06840%0.398CS..Hα-helixtrans-62.8-42.1176.3-173.267.1000111.5D369 L373 L374 M375 Y387 L390 F391D369-L371 VanDerWaalsContact C-N 3.35Å; D369-L371 PolarHBondContact O-N 2.9Å; L371-L373 PolarHBondContact O-N 3.22Å; L371-L374 PolarHBondContact O-N 3.09Å; L371-M375 HydrophobicContact CD1-CE 3.9Å; L371-M375 HydrophobicContact CG-CG 4.48Å; L371-M375 VanDerWaalsContact O-CG 3.25Å; L371-M375 WeakPolarHBondContact O-CG 3.31Å; L371-M375 PolarHBondContact O-N 2.85Å; L371-Y387 HydrophobicContact CD1-CD1 4.1Å; L371-L390 HydrophobicContact CD2-CD2 3.46Å; L371-L390 VanDerWaalsContact CD2-CD2 3.46Å; L371-F391 HydrophobicContact CD2-CB 4.26Å; L371-F391 HydrophobicContact CD2-CD2 4.17Å; L371-F391 HydrophobicContact CG-CD2 4.16Å
372K76.6Confident64.2Low93 Ų9377.3 Ų77.340%0.40440%0.399SS..Hα-helixtrans-58.7-47174.5-72.7168.9-162162.40111.6P368 D369 L370 L374 M375 N376 F391P368-K372 WeakPolarHBondContact O-CG 3.16Å; P368-K372 PolarHBondContact O-N 2.94Å; D369-K372 WeakPolarHBondContact O-CB 3.34Å; D369-K372 PolarHBondContact O-N 3.47Å; D369-K372 WeakPolarHBondContact OD1-CD 3.03Å; D369-K372 IonicContact OD1-NZ 2.76Å; D369-K372 PolarHBondContact OD1-NZ 3.44Å; L370-K372 PolarHBondContact O-N 3.02Å; K372-L374 PolarHBondContact O-N 3.29Å; K372-M375 PolarHBondContact O-N 3.11Å; K372-N376 WeakPolarHBondContact O-CB 3.39Å; K372-N376 PolarHBondContact O-N 2.89Å; K372-N376 PolarHBondContact O-ND2 3.37Å; K372-F391 HydrophobicContact CB-CE2 4.24Å; K372-F391 HydrophobicContact CG-CE2 3.61Å; K372-F391 HydrophobicContact CG-CZ 4.25Å
373L75.4Confident65.4Low76 Ų7675.1 Ų75.140%0.39839%0.393SS..Hα-helixtrans-61.6-43.3179.2-72.1170.9000111.7L344 D369 L370 L371 N376 R377L344-L373 HydrophobicContact CD2-CD1 4.42Å; D369-L373 WeakPolarHBondContact O-CB 3.47Å; D369-L373 VanDerWaalsContact O-CG 3.28Å; D369-L373 WeakPolarHBondContact O-CG 3.37Å; D369-L373 PolarHBondContact O-N 2.82Å; L370-L373 PolarHBondContact O-N 3.06Å; L371-L373 PolarHBondContact O-N 3.22Å; L373-N376 PolarHBondContact O-N 2.96Å; L373-R377 WeakPolarHBondContact O-CG 3.42Å; L373-R377 PolarHBondContact O-N 3.27Å; L373-R377 VanDerWaalsContact O-N 3.07Å
374L76.9Confident66.8Low3 Ų379.5 Ų79.52%0.01641%0.406CS..Hα-helixtrans-61.8-46.2175.2-69.4165.9000112L12 F337 C340 L370 L371 K372 N376 R377 T378L12-L374 HydrophobicContact CD1-CD1 3.97Å; F337-L374 HydrophobicContact CB-CD2 4.27Å; F337-L374 HydrophobicContact CD2-CD1 3.53Å; F337-L374 HydrophobicContact CD2-CD2 3.95Å; F337-L374 HydrophobicContact CD2-CG 4.38Å; F337-L374 HydrophobicContact CE2-CD1 3.99Å; C340-L374 HydrophobicContact CB-CD2 3.43Å; C340-L374 VanDerWaalsContact CB-CD2 3.43Å; C340-L374 HydrophobicContact CB-CG 4.48Å; L370-L374 HydrophobicContact CD1-CD1 4.44Å; L370-L374 HydrophobicContact CD1-CG 4.46Å; L370-L374 HydrophobicContact CG-CD1 4.1Å; L370-L374 WeakPolarHBondContact O-CD1 3.06Å; L370-L374 WeakPolarHBondContact O-CG 3.47Å; L370-L374 PolarHBondContact O-N 3.31Å; L371-L374 PolarHBondContact O-N 3.09Å; K372-L374 PolarHBondContact O-N 3.29Å; L374-N376 VanDerWaalsContact C-N 3.34Å; L374-N376 PolarHBondContact O-N 3.13Å; L374-R377 PolarHBondContact O-N 3.17Å; L374-T378 WeakPolarHBondContact O-CG2 3.42Å; L374-T378 PolarHBondContact O-N 3.02Å; L374-T378 PolarHBondContact O-OG1 3.39Å
375M77.9Confident68.6Low19 Ų1974.4 Ų74.49%0.09438%0.378CS..Hα-helixtrans-65.3-37.7178.7-66.9-59.5121.500112.1F333 L371 K372 R377 T378 Q379 F391F333-M375 HydrophobicContact CE2-CE 3.59Å; F333-M375 HydrophobicContact CZ-CE 3.65Å; L371-M375 HydrophobicContact CD1-CE 3.9Å; L371-M375 HydrophobicContact CG-CG 4.48Å; L371-M375 VanDerWaalsContact O-CG 3.25Å; L371-M375 WeakPolarHBondContact O-CG 3.31Å; L371-M375 PolarHBondContact O-N 2.85Å; K372-M375 PolarHBondContact O-N 3.11Å; M375-R377 VanDerWaalsContact C-N 3.32Å; M375-R377 PolarHBondContact O-N 2.91Å; M375-T378 PolarHBondContact O-N 3Å; M375-T378 PolarHBondContact O-OG1 3.15Å; M375-T378 VanDerWaalsContact O-OG1 3.12Å; M375-Q379 PolarHBondContact O-N 3.48Å; M375-Q379 VanDerWaalsContact O-N 3.12Å; M375-F391 HydrophobicContact CB-CD1 4.11Å; M375-F391 HydrophobicContact CB-CD2 4.39Å; M375-F391 HydrophobicContact CB-CE1 4.17Å; M375-F391 HydrophobicContact CB-CE2 4.45Å; M375-F391 HydrophobicContact CB-CG 4.22Å; M375-F391 HydrophobicContact CB-CZ 4.35Å; M375-F391 HydrophobicContact CG-CB 3.87Å; M375-F391 HydrophobicContact CG-CD1 3.9Å; M375-F391 HydrophobicContact CG-CD2 3.87Å; M375-F391 HydrophobicContact CG-CE1 4.43Å; M375-F391 HydrophobicContact CG-CE2 4.4Å; M375-F391 HydrophobicContact CG-CG 3.59Å; M375-F391 HydrophobicContact SD-CB 4.32Å
376N79Confident70.6Confident107 Ų10768.8 Ų68.857%0.57235%0.348SS*.Hα-helixtrans-64.2-34.8174.8-71.4-19000112.7K372 L373 L374 Q379K372-N376 WeakPolarHBondContact O-CB 3.39Å; K372-N376 PolarHBondContact O-N 2.89Å; K372-N376 PolarHBondContact O-ND2 3.37Å; L373-N376 PolarHBondContact O-N 2.96Å; L374-N376 VanDerWaalsContact C-N 3.34Å; L374-N376 PolarHBondContact O-N 3.13Å; N376-Q379 VanDerWaalsContact O-CG 3.25Å; N376-Q379 WeakPolarHBondContact O-CG 3.34Å
377R74.7Confident72.4Confident100 Ų10063.4 Ų63.438%0.37732%0.323SS..Hα-helixtrans-75-42176.8-74.1175.2174.8-1362.2112.7D343 L373 L374 M375 Q379D343-R377 IonicContact OD2-CZ 3.25Å; D343-R377 VanDerWaalsContact OD2-CZ 3.25Å; D343-R377 IonicContact OD2-NH1 2.68Å; D343-R377 PolarHBondContact OD2-NH1 3.37Å; D343-R377 IonicContact OD2-NH2 2.89Å; D343-R377 PolarHBondContact OD2-NH2 3.08Å; L373-R377 WeakPolarHBondContact O-CG 3.42Å; L373-R377 PolarHBondContact O-N 3.27Å; L373-R377 VanDerWaalsContact O-N 3.07Å; L374-R377 PolarHBondContact O-N 3.17Å; M375-R377 VanDerWaalsContact C-N 3.32Å; M375-R377 PolarHBondContact O-N 2.91Å; R377-Q379 VanDerWaalsContact C-N 3.3Å; R377-Q379 PolarHBondContact O-N 2.81Å
378T72.6Confident73.8Confident8 Ų861 Ų615%0.04931%0.308CS..Hα-helixtrans-71.4-25.8-177.362.40000111.8F333 E336 L374 M375 G380 K381 Y382F333-T378 HydrophobicContact CD2-CG2 3.85Å; F333-T378 HydrophobicContact CE2-CG2 3.82Å; E336-T378 WeakPolarHBondContact OE2-CG2 3.32Å; L374-T378 WeakPolarHBondContact O-CG2 3.42Å; L374-T378 PolarHBondContact O-N 3.02Å; L374-T378 PolarHBondContact O-OG1 3.39Å; M375-T378 PolarHBondContact O-N 3Å; M375-T378 PolarHBondContact O-OG1 3.15Å; M375-T378 VanDerWaalsContact O-OG1 3.12Å; T378-G380 PolarHBondContact O-N 2.96Å; T378-K381 VanDerWaalsContact O-CB 3.23Å; T378-K381 WeakPolarHBondContact O-CB 3.05Å; T378-K381 WeakPolarHBondContact O-CD 3.31Å; T378-K381 WeakPolarHBondContact O-CG 3.44Å; T378-K381 PolarHBondContact O-N 2.91Å; T378-Y382 HydrophobicContact CG2-CD2 4.17Å; T378-Y382 HydrophobicContact CG2-CE2 4.06Å
379Q67.8Low75.3Confident164 Ų16457.9 Ų57.977%0.76629%0.288SS*.THydrogen-bonded Turntrans45.928.3179.7-62.7-172.7-11.100114.5M375 N376 R377 K381M375-Q379 PolarHBondContact O-N 3.48Å; M375-Q379 VanDerWaalsContact O-N 3.12Å; N376-Q379 VanDerWaalsContact O-CG 3.25Å; N376-Q379 WeakPolarHBondContact O-CG 3.34Å; R377-Q379 VanDerWaalsContact C-N 3.3Å; R377-Q379 PolarHBondContact O-N 2.81Å; Q379-K381 VanDerWaalsContact C-N 3.29Å; Q379-K381 PolarHBondContact O-N 3.02Å
380G67.9Low76.2Confident47 Ų4753.9 Ų53.949%0.48527%0.267SS..THydrogen-bonded Turntrans68.123.2-175.700000114.7T378 Y382T378-G380 PolarHBondContact O-N 2.96Å; G380-Y382 PolarHBondContact O-N 3.4Å
381K69.2Low76.9Confident143 Ų14355 Ų5562%0.62227%0.271SS*.  trans-59.1-32.5173.4-76.6170.9-173.9173.50112.7T378 Q379T378-K381 VanDerWaalsContact O-CB 3.23Å; T378-K381 WeakPolarHBondContact O-CB 3.05Å; T378-K381 WeakPolarHBondContact O-CD 3.31Å; T378-K381 WeakPolarHBondContact O-CG 3.44Å; T378-K381 PolarHBondContact O-N 2.91Å; Q379-K381 VanDerWaalsContact C-N 3.29Å; Q379-K381 PolarHBondContact O-N 3.02Å
382Y66.8Low77.6Confident47 Ų4758 Ų5818%0.18428%0.283CS..SBendtrans-92144.5179-54.2-67.9000109.6P330 E332 F333 E336 T378 G380 H385P330-Y382 HydrophobicContact CB-CD1 4.16Å; P330-Y382 HydrophobicContact CG-CD1 4.34Å; P330-Y382 HydrophobicContact CG-CG 4.48Å; E332-Y382 HydrophobicContact CB-CD1 4.37Å; E332-Y382 HydrophobicContact CB-CE1 3.35Å; E332-Y382 WeakPolarHBondContact CB-OH 3.38Å; E332-Y382 HydrophobicContact CG-CE1 4.25Å; F333-Y382 HydrophobicContact CB-CD2 4.19Å; F333-Y382 HydrophobicContact CB-CE2 4.3Å; F333-Y382 HydrophobicContact CB-CG 4.48Å; F333-Y382 AromaticContact CD2-CD2 3.99Å; F333-Y382 HydrophobicContact CD2-CD2 3.99Å; F333-Y382 HydrophobicContact CD2-CE2 4.35Å; E336-Y382 WeakPolarHBondContact OE1-CE2 3.32Å; E336-Y382 PolarHBondContact OE1-OH 2.81Å; E336-Y382 WeakPolarHBondContact OE2-CE2 3.34Å; T378-Y382 HydrophobicContact CG2-CD2 4.17Å; T378-Y382 HydrophobicContact CG2-CE2 4.06Å; G380-Y382 PolarHBondContact O-N 3.4Å; Y382-H385 WeakPolarHBondContact CB-CD2 3.33Å; Y382-H385 WeakPolarHBondContact CB-NE2 3.44Å
383S67.6Low78Confident79 Ų7953.5 Ų53.555%0.55226%0.264SS*.  trans-57.6-177.6178.957.10000113.7H385S383-H385 PolarHBondContact N-NE2 2.59Å; S383-H385 PolarHBondContact O-CD2 3.44Å; S383-H385 VanDerWaalsContact O-CG 3.24Å; S383-H385 PolarHBondContact O-N 2.9Å; S383-H385 PolarHBondContact O-NE2 3.25Å; S383-H385 PolarHBondContact OG-CE1 3.37Å; S383-H385 PolarHBondContact OG-NE2 3.46Å
384Y72.8Confident78.4Confident132 Ų13251.1 Ų51.152%0.51825%0.251SS..SBendtrans-52.1108.7175.8-68.1-90000112.5
385H80.1Confident78.8Confident23 Ų2355.9 Ų55.911%0.10627%0.273CS..  trans-123.4164.7-179.5-66-48.7000113.2P330 Y382 S383 Y387 E388 N389P330-H385 WeakPolarHBondContact CD-CE1 3.35Å; P330-H385 WeakPolarHBondContact CD-ND1 3.35Å; P330-H385 WeakPolarHBondContact CG-CE1 3.5Å; P330-H385 WeakPolarHBondContact CG-NE2 3.27Å; Y382-H385 WeakPolarHBondContact CB-CD2 3.33Å; Y382-H385 WeakPolarHBondContact CB-NE2 3.44Å; S383-H385 PolarHBondContact N-NE2 2.59Å; S383-H385 PolarHBondContact O-CD2 3.44Å; S383-H385 VanDerWaalsContact O-CG 3.24Å; S383-H385 PolarHBondContact O-N 2.9Å; S383-H385 PolarHBondContact O-NE2 3.25Å; S383-H385 PolarHBondContact OG-CE1 3.37Å; S383-H385 PolarHBondContact OG-NE2 3.46Å; H385-Y387 PolarHBondContact O-N 3.13Å; H385-E388 PolarHBondContact O-N 3.3Å; H385-N389 WeakPolarHBondContact O-CB 3.42Å; H385-N389 PolarHBondContact O-N 3.35Å
386V86.4Confident79Confident4 Ų457.3 Ų57.32%0.02428%0.281CS..Hα-helixtrans-58.4-46.7-179-174.50000111.7L13 L17 L38 L321 L326 N389 L390L13-V386 HydrophobicContact CD2-CG1 3.86Å; L17-V386 HydrophobicContact CD1-CG1 3.98Å; L38-V386 HydrophobicContact CD2-CG1 4.23Å; L38-V386 HydrophobicContact CD2-CG2 3.81Å; L321-V386 HydrophobicContact CD1-CB 4.5Å; L321-V386 HydrophobicContact CD1-CG2 4.25Å; L326-V386 HydrophobicContact CD2-CG2 3.85Å; V386-N389 WeakPolarHBondContact O-CB 3.49Å; V386-N389 PolarHBondContact O-N 2.89Å; V386-L390 WeakPolarHBondContact O-CB 3.45Å; V386-L390 PolarHBondContact O-N 2.8Å
387Y86.1Confident79.1Confident2 Ų252.3 Ų52.31%0.00825%0.254CS..Hα-helixtrans-69.7-37.4-178.6-67.1-76.7000113.4L9 L12 L13 F42 I329 F333 L371 H385 N389 L390 F391L9-Y387 HydrophobicContact CD1-CE1 3.93Å; L9-Y387 HydrophobicContact CD1-CE2 3.85Å; L9-Y387 VanDerWaalsContact CD1-CZ 3.48Å; L9-Y387 WeakPolarHBondContact CD1-OH 3.39Å; L9-Y387 HydrophobicContact CD2-CE2 4.43Å; L9-Y387 HydrophobicContact CG-CE2 4.18Å; L9-Y387 VanDerWaalsContact CG-OH 3.27Å; L9-Y387 WeakPolarHBondContact CG-OH 3.48Å; L9-Y387 PolarHBondContact O-OH 2.95Å; L12-Y387 HydrophobicContact CB-CE1 4.13Å; L13-Y387 HydrophobicContact CD2-CD1 4.14Å; L13-Y387 HydrophobicContact CD2-CE1 3.45Å; L13-Y387 VanDerWaalsContact CD2-CE1 3.45Å; L13-Y387 HydrophobicContact CD2-CE2 4.28Å; L13-Y387 HydrophobicContact CG-CE1 3.95Å; L13-Y387 WeakPolarHBondContact CG-OH 3.28Å; F42-Y387 VanDerWaalsContact CE1-OH 3.3Å; F42-Y387 WeakPolarHBondContact CE1-OH 3.46Å; F42-Y387 VanDerWaalsContact CZ-OH 3.24Å; F42-Y387 WeakPolarHBondContact CZ-OH 3.07Å; I329-Y387 HydrophobicContact CD1-CE2 4.32Å; F333-Y387 HydrophobicContact CD1-CD2 4.27Å; F333-Y387 AromaticContact CE1-CD2 3.42Å; F333-Y387 HydrophobicContact CE1-CD2 3.42Å; F333-Y387 VanDerWaalsContact CE1-CD2 3.42Å; F333-Y387 AromaticContact CE1-CE2 3.97Å; F333-Y387 HydrophobicContact CE1-CE2 3.97Å; F333-Y387 AromaticContact CE1-CG 3.92Å; F333-Y387 HydrophobicContact CE1-CG 3.92Å; F333-Y387 AromaticContact CZ-CD2 3.91Å; F333-Y387 HydrophobicContact CZ-CD2 3.91Å; F333-Y387 AromaticContact CZ-CG 3.95Å; F333-Y387 HydrophobicContact CZ-CG 3.95Å; L371-Y387 HydrophobicContact CD1-CD1 4.1Å; H385-Y387 PolarHBondContact O-N 3.13Å; Y387-N389 VanDerWaalsContact C-N 3.3Å; Y387-N389 PolarHBondContact O-N 2.69Å; Y387-L390 PolarHBondContact O-N 3.44Å; Y387-F391 VanDerWaalsContact O-CB 3.29Å; Y387-F391 WeakPolarHBondContact O-CB 3.34Å; Y387-F391 PolarHBondContact O-N 2.99Å
388E84Confident79.3Confident40 Ų4050.1 Ų50.119%0.18725%0.254CS..Hα-helixtrans-64.9-39.4174.2-169.3-168.6177.500110.7H385 K392H385-E388 PolarHBondContact O-N 3.3Å; E388-K392 HydrophobicContact CG-CD 4.38Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 WeakPolarHBondContact O-CG 3.26Å; E388-K392 PolarHBondContact O-N 2.82Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.37Å; E388-K392 IonicContact OE1-NZ 3.18Å; E388-K392 PolarHBondContact OE1-NZ 3.35Å
389N87.6Confident79.6Confident11 Ų1154 Ų546%0.05927%0.274CS..Hα-helixtrans-62.5-49.3174.4-167.8-86.1000112.1L17 C18 N319 L321 H385 V386 Y387 F391 K392 C393L17-N389 HydrophobicContact CD1-CB 4.38Å; C18-N389 PolarHBondContact N-OD1 3.36Å; N319-N389 PolarHBondContact O-ND2 2.81Å; L321-N389 HydrophobicContact CD1-CB 3.77Å; L321-N389 HydrophobicContact CD2-CB 3.97Å; L321-N389 HydrophobicContact CG-CB 3.82Å; L321-N389 WeakPolarHBondContact CG-ND2 3.29Å; H385-N389 WeakPolarHBondContact O-CB 3.42Å; H385-N389 PolarHBondContact O-N 3.35Å; V386-N389 WeakPolarHBondContact O-CB 3.49Å; V386-N389 PolarHBondContact O-N 2.89Å; Y387-N389 VanDerWaalsContact C-N 3.3Å; Y387-N389 PolarHBondContact O-N 2.69Å; N389-F391 VanDerWaalsContact C-N 3.33Å; N389-F391 PolarHBondContact O-N 2.78Å; N389-K392 PolarHBondContact O-N 2.91Å; N389-C393 VanDerWaalsContact O-CB 3.3Å; N389-C393 WeakPolarHBondContact O-CB 3.34Å; N389-C393 PolarHBondContact O-N 3.43Å; N389-C393 PolarHBondContact O-SG 3.2Å; N389-C393 PolarHBondContact OD1-SG 3.33Å; N389-C393 VanDerWaalsContact OD1-SG 3.36Å
390L87.4Confident79.6Confident1 Ų147 Ų471%0.00525%0.245CC..Hα-helixtrans-61.3-43.7-179.3-174.6142.1000110.6L371 V386 Y387 C393 N394L371-L390 HydrophobicContact CD2-CD2 3.46Å; L371-L390 VanDerWaalsContact CD2-CD2 3.46Å; V386-L390 WeakPolarHBondContact O-CB 3.45Å; V386-L390 PolarHBondContact O-N 2.8Å; Y387-L390 PolarHBondContact O-N 3.44Å; L390-C393 PolarHBondContact O-N 2.99Å; L390-N394 WeakPolarHBondContact CD2-ND2 3.17Å; L390-N394 VanDerWaalsContact O-CB 3.3Å; L390-N394 WeakPolarHBondContact O-CB 3.23Å; L390-N394 PolarHBondContact O-N 2.86Å; L390-N394 PolarHBondContact O-ND2 2.95Å
391F85.4Confident79.8Confident43 Ų4346.5 Ų46.519%0.18923%0.23CC..Hα-helixtrans-60.3-51.6174.9-176.4-105.8000112.7L371 K372 M375 Y387 N389 C393 N394 Q395L371-F391 HydrophobicContact CD2-CB 4.26Å; L371-F391 HydrophobicContact CD2-CD2 4.17Å; L371-F391 HydrophobicContact CG-CD2 4.16Å; K372-F391 HydrophobicContact CB-CE2 4.24Å; K372-F391 HydrophobicContact CG-CE2 3.61Å; K372-F391 HydrophobicContact CG-CZ 4.25Å; M375-F391 HydrophobicContact CB-CD1 4.11Å; M375-F391 HydrophobicContact CB-CD2 4.39Å; M375-F391 HydrophobicContact CB-CE1 4.17Å; M375-F391 HydrophobicContact CB-CE2 4.45Å; M375-F391 HydrophobicContact CB-CG 4.22Å; M375-F391 HydrophobicContact CB-CZ 4.35Å; M375-F391 HydrophobicContact CG-CB 3.87Å; M375-F391 HydrophobicContact CG-CD1 3.9Å; M375-F391 HydrophobicContact CG-CD2 3.87Å; M375-F391 HydrophobicContact CG-CE1 4.43Å; M375-F391 HydrophobicContact CG-CE2 4.4Å; M375-F391 HydrophobicContact CG-CG 3.59Å; M375-F391 HydrophobicContact SD-CB 4.32Å; Y387-F391 VanDerWaalsContact O-CB 3.29Å; Y387-F391 WeakPolarHBondContact O-CB 3.34Å; Y387-F391 PolarHBondContact O-N 2.99Å; N389-F391 VanDerWaalsContact C-N 3.33Å; N389-F391 PolarHBondContact O-N 2.78Å; F391-C393 PolarHBondContact O-N 2.77Å; F391-N394 PolarHBondContact O-N 3.02Å; F391-Q395 WeakPolarHBondContact O-CB 3.11Å; F391-Q395 PolarHBondContact O-N 3.23Å
392K86.4Confident79.9Confident75 Ų7545 Ų4533%0.32623%0.225SC..Hα-helixtrans-61.6-43.6178.4-74177.6-175.11720111.7E388 N389 Q395 L396E388-K392 HydrophobicContact CG-CD 4.38Å; E388-K392 WeakPolarHBondContact O-CB 3.44Å; E388-K392 WeakPolarHBondContact O-CG 3.26Å; E388-K392 PolarHBondContact O-N 2.82Å; E388-K392 VanDerWaalsContact OE1-CE 3.24Å; E388-K392 WeakPolarHBondContact OE1-CE 3.37Å; E388-K392 IonicContact OE1-NZ 3.18Å; E388-K392 PolarHBondContact OE1-NZ 3.35Å; N389-K392 PolarHBondContact O-N 2.91Å; K392-Q395 PolarHBondContact O-N 3.37Å; K392-L396 VanDerWaalsContact O-CB 3.28Å; K392-L396 WeakPolarHBondContact O-CB 3.46Å; K392-L396 WeakPolarHBondContact O-CG 3.18Å; K392-L396 PolarHBondContact O-N 3.1Å
393C86.1Confident79.7Confident0 Ų048.4 Ų48.40%024%0.239CC..Hα-helixtrans-64-46.5179.1-70.70000111.2I16 N389 L390 F391 Q395 L396 C397I16-C393 HydrophobicContact CB-CB 4.29Å; I16-C393 HydrophobicContact CG2-CB 4.21Å; I16-C393 VanDerWaalsContact O-CB 3.24Å; I16-C393 WeakPolarHBondContact O-CB 3.26Å; N389-C393 VanDerWaalsContact O-CB 3.3Å; N389-C393 WeakPolarHBondContact O-CB 3.34Å; N389-C393 PolarHBondContact O-N 3.43Å; N389-C393 PolarHBondContact O-SG 3.2Å; N389-C393 PolarHBondContact OD1-SG 3.33Å; N389-C393 VanDerWaalsContact OD1-SG 3.36Å; L390-C393 PolarHBondContact O-N 2.99Å; F391-C393 PolarHBondContact O-N 2.77Å; C393-Q395 PolarHBondContact O-N 2.89Å; C393-L396 PolarHBondContact O-N 3.47Å; C393-C397 WeakPolarHBondContact O-CB 3.36Å; C393-C397 PolarHBondContact O-N 2.7Å; C393-C397 PolarHBondContact O-SG 3.5Å
394N84.6Confident79.4Confident26 Ų2646 Ų4614%0.13922%0.221CC..Hα-helixtrans-60.7-46.5177.2-72.5-10.2000111.3I16 L390 F391 L396 C397 S398I16-N394 PolarHBondContact N-OD1 3.12Å; L390-N394 WeakPolarHBondContact CD2-ND2 3.17Å; L390-N394 VanDerWaalsContact O-CB 3.3Å; L390-N394 WeakPolarHBondContact O-CB 3.23Å; L390-N394 PolarHBondContact O-N 2.86Å; L390-N394 PolarHBondContact O-ND2 2.95Å; F391-N394 PolarHBondContact O-N 3.02Å; N394-L396 PolarHBondContact O-N 2.97Å; N394-C397 PolarHBondContact O-N 3.25Å; N394-S398 PolarHBondContact O-N 2.8Å; N394-S398 PolarHBondContact O-OG 2.99Å; N394-S398 VanDerWaalsContact O-OG 3.13Å
395Q85.1Confident78.8Confident102 Ų10245.6 Ų45.648%0.47722%0.223SC..Hα-helixtrans-60-45.6177-173.2-178.64.700112.2F391 K392 C393 C397 S398 I399F391-Q395 WeakPolarHBondContact O-CB 3.11Å; F391-Q395 PolarHBondContact O-N 3.23Å; K392-Q395 PolarHBondContact O-N 3.37Å; C393-Q395 PolarHBondContact O-N 2.89Å; Q395-C397 VanDerWaalsContact C-N 3.32Å; Q395-C397 PolarHBondContact O-N 3.26Å; Q395-S398 PolarHBondContact O-N 3.49Å; Q395-I399 HydrophobicContact CG-CD1 4.12Å; Q395-I399 WeakPolarHBondContact O-CG1 3.49Å; Q395-I399 PolarHBondContact O-N 2.93Å; Q395-I399 VanDerWaalsContact O-N 3.07Å
396L81.7Confident77.5Confident50 Ų5049.3 Ų49.326%0.26224%0.241SC..Hα-helixtrans-64.4-36.9178.1-75.9173.3000112.5P314 N319 K392 C393 N394 G400P314-L396 HydrophobicContact CB-CB 4.11Å; P314-L396 HydrophobicContact CG-CB 4.36Å; N319-L396 WeakPolarHBondContact ND2-CD1 3.25Å; K392-L396 VanDerWaalsContact O-CB 3.28Å; K392-L396 WeakPolarHBondContact O-CB 3.46Å; K392-L396 WeakPolarHBondContact O-CG 3.18Å; K392-L396 PolarHBondContact O-N 3.1Å; C393-L396 PolarHBondContact O-N 3.47Å; N394-L396 PolarHBondContact O-N 2.97Å; L396-G400 PolarHBondContact O-N 2.97Å
397C80.4Confident75.8Confident1 Ų152.9 Ų52.91%0.00726%0.256CS..Hα-helixtrans-69.2-43.7176.1-66.10000111I16 W128 C393 N394 Q395 I399 G400 F401I16-C397 HydrophobicContact CD1-CB 3.88Å; I16-C397 WeakPolarHBondContact CD1-SG 3.41Å; W128-C397 HydrophobicContact CH2-CB 3.93Å; W128-C397 VanDerWaalsContact CH2-SG 3.59Å; C393-C397 WeakPolarHBondContact O-CB 3.36Å; C393-C397 PolarHBondContact O-N 2.7Å; C393-C397 PolarHBondContact O-SG 3.5Å; N394-C397 PolarHBondContact O-N 3.25Å; Q395-C397 VanDerWaalsContact C-N 3.32Å; Q395-C397 PolarHBondContact O-N 3.26Å; C397-I399 PolarHBondContact O-N 3.46Å; C397-G400 CarbonylContact O-C 3.06Å; C397-G400 WeakPolarHBondContact O-CA 3.18Å; C397-G400 PolarHBondContact O-N 2.9Å; C397-G400 VanDerWaalsContact O-N 3.11Å; C397-F401 HydrophobicContact CB-CD2 4.34Å; C397-F401 HydrophobicContact CB-CE2 3.86Å; C397-F401 WeakPolarHBondContact O-CD2 3.46Å; C397-F401 WeakPolarHBondContact O-CG 3.44Å; C397-F401 PolarHBondContact O-N 3.4Å
398S79.8Confident74Confident54 Ų5459.6 Ų59.638%0.37829%0.285SS..Hα-helixtrans-58-48.6175.9-61.80000112.3N394 Q395 G400 F401 E402N394-S398 PolarHBondContact O-N 2.8Å; N394-S398 PolarHBondContact O-OG 2.99Å; N394-S398 VanDerWaalsContact O-OG 3.13Å; Q395-S398 PolarHBondContact O-N 3.49Å; S398-G400 VanDerWaalsContact C-N 3.27Å; S398-G400 PolarHBondContact O-N 2.86Å; S398-F401 PolarHBondContact O-N 3.09Å; S398-E402 WeakPolarHBondContact O-CG 3.23Å; S398-E402 PolarHBondContact O-N 3.21Å
399I78Confident71.7Confident90 Ų9064.5 Ų64.546%0.46231%0.313SS..Hα-helixtrans-60.1-40.8175.3-64.5164.3000110.6Q395 C397 Y403Q395-I399 HydrophobicContact CG-CD1 4.12Å; Q395-I399 WeakPolarHBondContact O-CG1 3.49Å; Q395-I399 PolarHBondContact O-N 2.93Å; Q395-I399 VanDerWaalsContact O-N 3.07Å; C397-I399 PolarHBondContact O-N 3.46Å; I399-Y403 WeakPolarHBondContact O-CB 3.14Å; I399-Y403 PolarHBondContact O-N 3.35Å; I399-Y403 VanDerWaalsContact O-N 3.1Å
400G68.5Low69.1Low16 Ų1673.5 Ų73.517%0.16535%0.346CS..Hα-helixtrans-61-44.3176.100000112.8L396 C397 S398 Y403 T404L396-G400 PolarHBondContact O-N 2.97Å; C397-G400 CarbonylContact O-C 3.06Å; C397-G400 WeakPolarHBondContact O-CA 3.18Å; C397-G400 PolarHBondContact O-N 2.9Å; C397-G400 VanDerWaalsContact O-N 3.11Å; S398-G400 VanDerWaalsContact C-N 3.27Å; S398-G400 PolarHBondContact O-N 2.86Å; G400-Y403 PolarHBondContact O-N 3.05Å; G400-T404 WeakPolarHBondContact O-CG2 3.38Å; G400-T404 PolarHBondContact O-N 3.37Å; G400-T404 VanDerWaalsContact O-N 3.15Å
401F71.5Confident66.5Low38 Ų3877 Ų7717%0.16736%0.363CS..Hα-helixtrans-65.6-47.6178.1-67.5-53.9000111.7K122 F123 W128 C397 S398 Y403 T404 E405K122-F401 HydrophobicContact CB-CE1 3.99Å; K122-F401 HydrophobicContact CB-CZ 3.84Å; F123-F401 HydrophobicContact CB-CZ 4.4Å; W128-F401 HydrophobicContact CH2-CE1 4.43Å; W128-F401 HydrophobicContact CH2-CZ 4.17Å; W128-F401 HydrophobicContact CZ2-CD1 4.2Å; W128-F401 AromaticContact CZ2-CE1 3.8Å; W128-F401 HydrophobicContact CZ2-CE1 3.8Å; W128-F401 AromaticContact CZ2-CZ 3.99Å; W128-F401 HydrophobicContact CZ2-CZ 3.99Å; C397-F401 HydrophobicContact CB-CD2 4.34Å; C397-F401 HydrophobicContact CB-CE2 3.86Å; C397-F401 WeakPolarHBondContact O-CD2 3.46Å; C397-F401 WeakPolarHBondContact O-CG 3.44Å; C397-F401 PolarHBondContact O-N 3.4Å; S398-F401 PolarHBondContact O-N 3.09Å; F401-Y403 VanDerWaalsContact C-N 3.25Å; F401-Y403 PolarHBondContact O-N 3.27Å; F401-T404 PolarHBondContact O-N 2.84Å; F401-T404 PolarHBondContact O-OG1 3.13Å; F401-E405 PolarHBondContact O-N 3.38Å
402E71.1Confident63.8Low111 Ų11182 Ų8252%0.51939%0.391SS..Hα-helixtrans-54.7-42.2175.6-72.8176-170.300111.8S398 T404 E405 Q406S398-E402 WeakPolarHBondContact O-CG 3.23Å; S398-E402 PolarHBondContact O-N 3.21Å; E402-T404 VanDerWaalsContact C-N 3.35Å; E402-T404 PolarHBondContact O-N 3.47Å; E402-E405 PolarHBondContact O-N 3.17Å; E402-Q406 WeakPolarHBondContact O-CB 3.45Å; E402-Q406 VanDerWaalsContact O-CG 3.3Å; E402-Q406 WeakPolarHBondContact O-CG 3.5Å; E402-Q406 PolarHBondContact O-N 2.91Å
403Y63.7Low61.2Low119 Ų11982 Ų8247%0.46740%0.398SS..Hα-helixtrans-66.3-36178.2-168.4-101.2000112.7I399 G400 F401 K407I399-Y403 WeakPolarHBondContact O-CB 3.14Å; I399-Y403 PolarHBondContact O-N 3.35Å; I399-Y403 VanDerWaalsContact O-N 3.1Å; G400-Y403 PolarHBondContact O-N 3.05Å; F401-Y403 VanDerWaalsContact C-N 3.25Å; F401-Y403 PolarHBondContact O-N 3.27Å; Y403-K407 HydrophobicContact CD1-CD 4.2Å; Y403-K407 HydrophobicContact CE1-CD 3.7Å; Y403-K407 HydrophobicContact CE1-CG 4.38Å; Y403-K407 VanDerWaalsContact CE1-NZ 3.27Å; Y403-K407 PolarHBondContact O-N 2.88Å; Y403-K407 VanDerWaalsContact O-N 3.1Å; Y403-K407 WeakPolarHBondContact OH-CE 3.37Å; Y403-K407 PolarHBondContact OH-NZ 3.09Å
404T62Low58.7Low28 Ų2887.6 Ų87.617%0.17243%0.427CS..Hα-helixtrans-69.2-37.9174.760.60000112.6G400 F401 E402 K407 K408G400-T404 WeakPolarHBondContact O-CG2 3.38Å; G400-T404 PolarHBondContact O-N 3.37Å; G400-T404 VanDerWaalsContact O-N 3.15Å; F401-T404 PolarHBondContact O-N 2.84Å; F401-T404 PolarHBondContact O-OG1 3.13Å; E402-T404 VanDerWaalsContact C-N 3.35Å; E402-T404 PolarHBondContact O-N 3.47Å; T404-K407 PolarHBondContact O-N 3.29Å; T404-K408 WeakPolarHBondContact O-CG 3.42Å; T404-K408 PolarHBondContact O-N 3.41Å
405E59.9Low56.1Low123 Ų12392.9 Ų92.958%0.57546%0.455SS*.Hα-helixtrans-68.7-43.4176.3-68.9-169.1160.100111.9F401 E402 K407 K408 N409F401-E405 PolarHBondContact O-N 3.38Å; E402-E405 PolarHBondContact O-N 3.17Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 2.95Å; E405-K408 WeakPolarHBondContact O-CB 3.22Å; E405-K408 PolarHBondContact O-N 3.03Å; E405-N409 PolarHBondContact O-N 3.32Å
406Q51.6Low53.7Low101 Ų101100.3 Ų100.347%0.47249%0.486SS..Hα-helixtrans-60.4-38.1174.4-72.3177.61700112.2E402 N409 R410E402-Q406 WeakPolarHBondContact O-CB 3.45Å; E402-Q406 VanDerWaalsContact O-CG 3.3Å; E402-Q406 WeakPolarHBondContact O-CG 3.5Å; E402-Q406 PolarHBondContact O-N 2.91Å; Q406-N409 PolarHBondContact O-N 3.35Å; Q406-R410 WeakPolarHBondContact O-CG 3.44Å; Q406-R410 PolarHBondContact O-N 3.19Å
407K50.8Low52.3Low80 Ų80102.8 Ų102.835%0.34850%0.497SS..Hα-helixtrans-70.3-39.1175.1-81.8-170.4171179.10113Y403 T404 E405 N409 R410 M411Y403-K407 HydrophobicContact CD1-CD 4.2Å; Y403-K407 HydrophobicContact CE1-CD 3.7Å; Y403-K407 HydrophobicContact CE1-CG 4.38Å; Y403-K407 VanDerWaalsContact CE1-NZ 3.27Å; Y403-K407 PolarHBondContact O-N 2.88Å; Y403-K407 VanDerWaalsContact O-N 3.1Å; Y403-K407 WeakPolarHBondContact OH-CE 3.37Å; Y403-K407 PolarHBondContact OH-NZ 3.09Å; T404-K407 PolarHBondContact O-N 3.29Å; E405-K407 VanDerWaalsContact C-N 3.29Å; E405-K407 PolarHBondContact O-N 2.95Å; K407-N409 PolarHBondContact O-N 2.96Å; K407-R410 PolarHBondContact O-N 3.2Å; K407-M411 WeakPolarHBondContact O-CG 3.3Å; K407-M411 PolarHBondContact O-N 3.17Å; K407-M411 VanDerWaalsContact O-N 3.14Å
408K48.1Very low50.9Low143 Ų143108.2 Ų108.262%0.62252%0.523SS*.Hα-helixtrans-56.4-40.3170.7-75.2175-177.3174.20111T404 E405T404-K408 WeakPolarHBondContact O-CG 3.42Å; T404-K408 PolarHBondContact O-N 3.41Å; E405-K408 WeakPolarHBondContact O-CB 3.22Å; E405-K408 PolarHBondContact O-N 3.03Å
409N35.4Very low49.2Very low143 Ų143111.2 Ų111.277%0.76553%0.531SS*.Hα-helixtrans-76-26.8179.3-68.8-8.1000114.3E405 Q406 K407E405-N409 PolarHBondContact O-N 3.32Å; Q406-N409 PolarHBondContact O-N 3.35Å; K407-N409 PolarHBondContact O-N 2.96Å
410R33.6Very low47.6Very low199 Ų199112.4 Ų112.475%0.75154%0.535SS*.Hα-helixtrans-85.6-12.5177.9-74.5-176.9-178.1-173.93114.1Q406 K407 I412Q406-R410 WeakPolarHBondContact O-CG 3.44Å; Q406-R410 PolarHBondContact O-N 3.19Å; K407-R410 PolarHBondContact O-N 3.2Å; R410-I412 PolarHBondContact O-N 3.25Å; R410-I412 VanDerWaalsContact O-N 3.16Å
411M33.6Very low46.2Very low76 Ų76118.4 Ų118.437%0.37456%0.558SS.*  trans-8488.7175.2-79.9161.915500108.8V209 K407V209-M411 HydrophobicContact CG2-CB 4.15Å; V209-M411 HydrophobicContact CG2-CE 3.99Å; V209-M411 HydrophobicContact CG2-CG 4.11Å; V209-M411 HydrophobicContact CG2-SD 3.16Å; V209-M411 WeakPolarHBondContact CG2-SD 3.16Å; K407-M411 WeakPolarHBondContact O-CG 3.3Å; K407-M411 PolarHBondContact O-N 3.17Å; K407-M411 VanDerWaalsContact O-N 3.14Å
412I28.4Very low44.6Very low148 Ų148123.8 Ų123.876%0.75959%0.585SS**  trans-56124.1170.4-56.6170.8000106.9R410 I414R410-I412 PolarHBondContact O-N 3.25Å; R410-I412 VanDerWaalsContact O-N 3.16Å; I412-I414 PolarHBondContact O-N 3.48Å
413P31.7Very low42.7Very low75 Ų75124.7 Ų124.749%0.48759%0.589SS.*  trans-58.5125.6171.724.3-30.8000107.4N415P413-N415 PolarHBondContact O-N 2.93Å
414I34.4Very low41.1Very low116 Ų116125.2 Ų125.260%0.59560%0.599SS**  trans-68.287.7166.2-57.4172.4000104.7I412 F416I412-I414 PolarHBondContact O-N 3.48Å; I414-F416 PolarHBondContact O-N 3.06Å
415N29.6Very low39.3Very low137 Ų137133.3 Ų133.373%0.73363%0.634SS**  trans-63.5118.5167.3-71.5-10.9000106.3P413P413-N415 PolarHBondContact O-N 2.93Å
416F34.8Very low37.4Very low258 Ų258134.2 Ų134.2100%1.13264%0.64SS**  trans-72.20165.7-78.1-79.3000110.3I414I414-F416 PolarHBondContact O-N 3.06Å

Retrieved 416 of 416 residues in 1294.8 ms (Link to these results)

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