A0A3Q0KBV3_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KBV3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 83 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
1M51.8Low73.9Confident225 Ų225108.2 Ų108.2100%1.10853%0.531SS*.  0-20.70-86.3169.9179.200114.4N3M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.3Å
2Y54.5Low75.5Confident185 Ų185103.6 Ų103.673%0.72551%0.507SS*.Hα-helixtrans-61.4-29.3-178-173.5-105.3000116.1
3N61.5Low77.1Confident124 Ų124102.9 Ų102.966%0.66350%0.502SS*.Hα-helixtrans-76.2-28.9-172.2-69.9-19.7000114.9M1M1-N3 VanDerWaalsContact C-N 3.34Å; M1-N3 PolarHBondContact O-N 3.3Å
4S61Low78.5Confident63 Ų6398.5 Ų98.544%0.44148%0.48SS..Hα-helixtrans-73.3-44-176.7-53.90000111.4K6 K7 A8S4-K6 VanDerWaalsContact C-N 3.3Å; S4-K6 PolarHBondContact O-N 2.72Å; S4-K7 WeakPolarHBondContact O-CB 3.45Å; S4-K7 PolarHBondContact O-N 3.35Å; S4-K7 VanDerWaalsContact O-N 3.07Å; S4-A8 PolarHBondContact O-N 2.78Å
5T66.9Low79.7Confident85 Ų8591.9 Ų91.952%0.52145%0.448SS..Hα-helixtrans-57.5-42.5179.6-45.80000111.9K7 A8 E9T5-K7 VanDerWaalsContact C-N 3.31Å; T5-K7 PolarHBondContact O-N 3.04Å; T5-A8 PolarHBondContact O-N 2.97Å; T5-E9 WeakPolarHBondContact O-CG 3.38Å; T5-E9 PolarHBondContact O-N 3.33Å
6K76.4Confident80.8Confident106 Ų10689 Ų8946%0.46143%0.434SS..Hα-helixtrans-64-34.5178.7-169.8172.5-176.9177.70113S4 Q10S4-K6 VanDerWaalsContact C-N 3.3Å; S4-K6 PolarHBondContact O-N 2.72Å; K6-Q10 WeakPolarHBondContact O-CB 3.25Å; K6-Q10 VanDerWaalsContact O-CG 3.24Å; K6-Q10 WeakPolarHBondContact O-CG 3.5Å; K6-Q10 PolarHBondContact O-N 2.74Å
7K82.1Confident81.8Confident129 Ų12989.8 Ų89.856%0.56144%0.437SS*.Hα-helixtrans-67.3-45.4175.8-72.4-176.3177.8-174.80110.9S4 T5 E9 Q10 M11S4-K7 WeakPolarHBondContact O-CB 3.45Å; S4-K7 PolarHBondContact O-N 3.35Å; S4-K7 VanDerWaalsContact O-N 3.07Å; T5-K7 VanDerWaalsContact C-N 3.31Å; T5-K7 PolarHBondContact O-N 3.04Å; K7-E9 VanDerWaalsContact C-N 3.34Å; K7-E9 PolarHBondContact O-N 3.35Å; K7-Q10 PolarHBondContact O-N 3.21Å; K7-M11 WeakPolarHBondContact O-CB 3.48Å; K7-M11 VanDerWaalsContact O-CG 3.23Å; K7-M11 WeakPolarHBondContact O-CG 3.21Å; K7-M11 PolarHBondContact O-N 3.38Å
8A85.6Confident82.7Confident21 Ų2185.6 Ų85.617%0.17442%0.417CS..Hα-helixtrans-61.4-41.7177.800000111.9S4 T5 M11 H12S4-A8 PolarHBondContact O-N 2.78Å; T5-A8 PolarHBondContact O-N 2.97Å; A8-M11 PolarHBondContact O-N 3.48Å; A8-H12 WeakPolarHBondContact O-CB 3.24Å; A8-H12 PolarHBondContact O-N 3.18Å
9E88.4Confident83.5Confident123 Ų12381.1 Ų81.158%0.57540%0.395SS*.Hα-helixtrans-61.8-44.4174.9-71.9169.7179.900112.3T5 K7 M11 H12 Q13T5-E9 WeakPolarHBondContact O-CG 3.38Å; T5-E9 PolarHBondContact O-N 3.33Å; K7-E9 VanDerWaalsContact C-N 3.34Å; K7-E9 PolarHBondContact O-N 3.35Å; E9-M11 VanDerWaalsContact C-N 3.34Å; E9-M11 PolarHBondContact O-N 3.01Å; E9-H12 PolarHBondContact O-N 3.07Å; E9-Q13 WeakPolarHBondContact O-CB 3.39Å; E9-Q13 PolarHBondContact O-N 3.3Å
10Q91.1Very high84.3Confident114 Ų11481.4 Ų81.453%0.53340%0.398SS..Hα-helixtrans-64.4-39176.5-74174.5-16.100112.3K6 K7 Q13 H14K6-Q10 WeakPolarHBondContact O-CB 3.25Å; K6-Q10 VanDerWaalsContact O-CG 3.24Å; K6-Q10 WeakPolarHBondContact O-CG 3.5Å; K6-Q10 PolarHBondContact O-N 2.74Å; K7-Q10 PolarHBondContact O-N 3.21Å; Q10-Q13 PolarHBondContact O-N 2.94Å; Q10-H14 WeakPolarHBondContact O-CB 3.13Å; Q10-H14 PolarHBondContact O-N 3.39Å
11M93.5Very high84.9Confident15 Ų1581.5 Ų81.57%0.07440%0.397CS..Hα-helixtrans-67.3-39.4175.6-70.7176.171.200111.7K7 A8 E9 H14 A15 F40 Y44 W48 Y66 F68K7-M11 WeakPolarHBondContact O-CB 3.48Å; K7-M11 VanDerWaalsContact O-CG 3.23Å; K7-M11 WeakPolarHBondContact O-CG 3.21Å; K7-M11 PolarHBondContact O-N 3.38Å; A8-M11 PolarHBondContact O-N 3.48Å; E9-M11 VanDerWaalsContact C-N 3.34Å; E9-M11 PolarHBondContact O-N 3.01Å; M11-H14 PolarHBondContact O-N 3.35Å; M11-A15 WeakPolarHBondContact O-CB 3.48Å; M11-A15 PolarHBondContact O-N 2.85Å; M11-F40 HydrophobicContact CE-CE1 4.44Å; M11-Y44 HydrophobicContact CE-CD1 3.85Å; M11-Y44 HydrophobicContact CE-CD2 4.15Å; M11-Y44 HydrophobicContact CE-CE1 4.1Å; M11-Y44 HydrophobicContact CE-CE2 4.37Å; M11-Y44 HydrophobicContact CE-CG 3.87Å; M11-Y44 HydrophobicContact CG-CD1 4.31Å; M11-Y44 HydrophobicContact CG-CE1 3.65Å; M11-Y44 HydrophobicContact CG-CE2 4.49Å; M11-Y44 HydrophobicContact SD-CD1 4.27Å; M11-Y44 HydrophobicContact SD-CE1 4.18Å; M11-W48 HydrophobicContact CE-CH2 3.38Å; M11-W48 HydrophobicContact CE-CZ2 3.43Å; M11-W48 VanDerWaalsContact CE-CZ2 3.43Å; M11-W48 HydrophobicContact CE-CZ3 4.46Å; M11-Y66 HydrophobicContact CE-CD1 3.98Å; M11-Y66 HydrophobicContact CE-CE1 4.27Å; M11-Y66 HydrophobicContact SD-CD1 4.13Å; M11-Y66 HydrophobicContact SD-CE1 3.92Å; M11-F68 HydrophobicContact CB-CE1 4.46Å; M11-F68 HydrophobicContact CB-CE2 3.87Å; M11-F68 HydrophobicContact CB-CZ 3.55Å; M11-F68 HydrophobicContact CE-CE2 4.23Å; M11-F68 HydrophobicContact CE-CZ 4.34Å
12H93.6Very high87.1Confident53 Ų5370.8 Ų70.825%0.24534%0.344CS..Hα-helixtrans-63.8-43.2175.5-166.786.7000111.3A8 E9 A15 I16 F68 Y70A8-H12 WeakPolarHBondContact O-CB 3.24Å; A8-H12 PolarHBondContact O-N 3.18Å; E9-H12 PolarHBondContact O-N 3.07Å; H12-A15 WeakPolarHBondContact O-CB 3.38Å; H12-A15 PolarHBondContact O-N 3.28Å; H12-I16 WeakPolarHBondContact O-CG1 3.41Å; H12-I16 PolarHBondContact O-N 2.91Å; H12-I16 VanDerWaalsContact O-N 3.15Å; H12-F68 HydrophobicContact CB-CD1 3.92Å; H12-F68 HydrophobicContact CB-CE1 4.12Å; H12-F68 AromaticContact ND1-CD1 3.36Å; H12-F68 WeakPolarHBondContact ND1-CD1 3.49Å; H12-F68 AromaticContact ND1-CG 3.71Å; H12-Y70 AromaticContact CE1-CD1 3.73Å
13Q95.5Very high89.2Confident95 Ų9564.5 Ų64.544%0.44432%0.322SS..Hα-helixtrans-61.9-46175.3-178.358.137.800111.7E9 Q10 A15 I16 E17E9-Q13 WeakPolarHBondContact O-CB 3.39Å; E9-Q13 PolarHBondContact O-N 3.3Å; Q10-Q13 PolarHBondContact O-N 2.94Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 3.29Å; Q13-I16 PolarHBondContact O-N 3.09Å; Q13-I16 VanDerWaalsContact O-N 3.17Å; Q13-E17 WeakPolarHBondContact CG-OE1 3.42Å; Q13-E17 PolarHBondContact NE2-OE1 2.9Å; Q13-E17 WeakPolarHBondContact O-CG 3.24Å; Q13-E17 PolarHBondContact O-N 2.93Å; Q13-E17 VanDerWaalsContact O-N 3.07Å
14H96.7Very high90.9Very high41 Ų4165.6 Ų65.619%0.1933%0.328CS..Hα-helixtrans-61.4-36.1175.4-175.2-150.7000111.9Q10 M11 I16 E17 I18 Y44Q10-H14 WeakPolarHBondContact O-CB 3.13Å; Q10-H14 PolarHBondContact O-N 3.39Å; M11-H14 PolarHBondContact O-N 3.35Å; H14-I16 VanDerWaalsContact C-N 3.33Å; H14-I16 PolarHBondContact O-N 2.89Å; H14-E17 PolarHBondContact O-N 2.73Å; H14-I18 WeakPolarHBondContact NE2-CG1 3.39Å; H14-I18 WeakPolarHBondContact O-CG1 3.43Å; H14-I18 PolarHBondContact O-N 2.69Å; H14-Y44 AromaticContact ND1-CE2 3.5Å; H14-Y44 WeakPolarHBondContact ND1-CE2 3.49Å; H14-Y44 AromaticContact ND1-CZ 3.54Å; H14-Y44 PolarHBondContact ND1-OH 3.33Å
15A97.1Very high92.6Very high0 Ų067.4 Ų67.40%033%0.332CS..Hα-helixtrans-60.8-41.7175.100000112.2M11 H12 Q13 S19 F40 Y70 L79M11-A15 WeakPolarHBondContact O-CB 3.48Å; M11-A15 PolarHBondContact O-N 2.85Å; H12-A15 WeakPolarHBondContact O-CB 3.38Å; H12-A15 PolarHBondContact O-N 3.28Å; Q13-A15 VanDerWaalsContact C-N 3.27Å; Q13-A15 PolarHBondContact O-N 3.29Å; A15-S19 WeakPolarHBondContact O-CB 3.47Å; A15-S19 PolarHBondContact O-N 2.85Å; A15-S19 PolarHBondContact O-OG 2.93Å; A15-F40 HydrophobicContact CB-CE2 4.07Å; A15-F40 HydrophobicContact CB-CZ 3.66Å; A15-Y70 HydrophobicContact CB-CE1 3.98Å; A15-Y70 PolarHBondContact O-OH 3.42Å; A15-Y70 VanDerWaalsContact O-OH 3.12Å; A15-L79 HydrophobicContact CB-CD2 3.7Å
16I97.7Very high94Very high45 Ų4566.9 Ų66.923%0.23132%0.323CS..Hα-helixtrans-66-45.5177.3-65.6166.4000110.5H12 Q13 H14 S19 L20 Y70 I72H12-I16 WeakPolarHBondContact O-CG1 3.41Å; H12-I16 PolarHBondContact O-N 2.91Å; H12-I16 VanDerWaalsContact O-N 3.15Å; Q13-I16 PolarHBondContact O-N 3.09Å; Q13-I16 VanDerWaalsContact O-N 3.17Å; H14-I16 VanDerWaalsContact C-N 3.33Å; H14-I16 PolarHBondContact O-N 2.89Å; I16-S19 PolarHBondContact O-N 2.89Å; I16-L20 HydrophobicContact CG2-CD1 4.36Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 3.32Å; I16-Y70 HydrophobicContact CG1-CD2 4.05Å; I16-Y70 HydrophobicContact CG1-CE2 4.14Å; I16-Y70 HydrophobicContact CG1-CG 4.3Å; I16-I72 HydrophobicContact CG2-CD1 4.43Å
17E98.1Very high94.9Very high103 Ų10368 Ų6848%0.48134%0.344SS..Hα-helixtrans-59.4-48.8179.9-72.6167.4-168.900112Q13 H14 S19 L20 E21Q13-E17 WeakPolarHBondContact CG-OE1 3.42Å; Q13-E17 PolarHBondContact NE2-OE1 2.9Å; Q13-E17 WeakPolarHBondContact O-CG 3.24Å; Q13-E17 PolarHBondContact O-N 2.93Å; Q13-E17 VanDerWaalsContact O-N 3.07Å; H14-E17 PolarHBondContact O-N 2.73Å; E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.39Å; E17-L20 PolarHBondContact O-N 3.17Å; E17-E21 PolarHBondContact O-N 3.12Å
18I98Very high95.5Very high14 Ų1464.9 Ų64.97%0.07234%0.339CS..Hα-helixtrans-67.7-29.7178-62.1-60.3000111.7H14 E21 A22 Y35 I36 I39H14-I18 WeakPolarHBondContact NE2-CG1 3.39Å; H14-I18 WeakPolarHBondContact O-CG1 3.43Å; H14-I18 PolarHBondContact O-N 2.69Å; I18-E21 PolarHBondContact O-N 2.62Å; I18-A22 VanDerWaalsContact O-CB 3.25Å; I18-A22 WeakPolarHBondContact O-CB 3.35Å; I18-A22 PolarHBondContact O-N 2.9Å; I18-Y35 HydrophobicContact CG2-CD1 4.01Å; I18-Y35 HydrophobicContact CG2-CE1 3.96Å; I18-I36 HydrophobicContact CG2-CB 4.49Å; I18-I36 HydrophobicContact CG2-CG1 4.13Å; I18-I39 HydrophobicContact CD1-CG2 3.93Å; I18-I39 HydrophobicContact CG1-CG2 3.95Å; I18-I39 HydrophobicContact CG2-CB 4.11Å; I18-I39 HydrophobicContact CG2-CG1 4.11Å; I18-I39 HydrophobicContact CG2-CG2 4.22Å
19S98.1Very high96Very high0 Ų067.5 Ų67.50%035%0.347CS..Hα-helixtrans-69.4-39.4176.4-63.50000112.6A15 I16 E17 E21 A22 M23 I36 Y70A15-S19 WeakPolarHBondContact O-CB 3.47Å; A15-S19 PolarHBondContact O-N 2.85Å; A15-S19 PolarHBondContact O-OG 2.93Å; I16-S19 PolarHBondContact O-N 2.89Å; E17-S19 VanDerWaalsContact C-N 3.28Å; E17-S19 PolarHBondContact O-N 3.39Å; S19-E21 VanDerWaalsContact C-N 3.35Å; S19-A22 PolarHBondContact O-N 3.49Å; S19-M23 WeakPolarHBondContact O-CB 3.45Å; S19-M23 VanDerWaalsContact O-CG 3.26Å; S19-M23 WeakPolarHBondContact O-CG 3.23Å; S19-M23 PolarHBondContact O-N 2.95Å; S19-I36 VanDerWaalsContact OG-CD1 3.27Å; S19-I36 WeakPolarHBondContact OG-CD1 3.23Å; S19-Y70 PolarHBondContact OG-OH 2.87Å
20L98Very high96.3Very high87 Ų8767.7 Ų67.746%0.45535%0.352SS..Hα-helixtrans-61.4-46.1173.2-69.6168.3000110.6I16 E17 A22 M23 D24 I72I16-L20 HydrophobicContact CG2-CD1 4.36Å; I16-L20 WeakPolarHBondContact O-CG 3.48Å; I16-L20 PolarHBondContact O-N 3.32Å; E17-L20 PolarHBondContact O-N 3.17Å; L20-A22 PolarHBondContact O-N 3.46Å; L20-M23 PolarHBondContact O-N 3.27Å; L20-D24 PolarHBondContact O-N 3.07Å; L20-I72 HydrophobicContact CD2-CD1 4.24Å; L20-I72 HydrophobicContact CD2-CG2 3.84Å; L20-I72 HydrophobicContact CG-CD1 4.25Å
21E98.2Very high96.6Very high83 Ų8362.9 Ų62.939%0.38833%0.333SS..Hα-helixtrans-60.5-43.8175.3-172-174.7156.300112E17 I18 S19 M23 D24 L25 Y35E17-E21 PolarHBondContact O-N 3.12Å; I18-E21 PolarHBondContact O-N 2.62Å; S19-E21 VanDerWaalsContact C-N 3.35Å; E21-M23 VanDerWaalsContact C-N 3.33Å; E21-M23 PolarHBondContact O-N 3.46Å; E21-D24 PolarHBondContact O-N 3.01Å; E21-L25 HydrophobicContact CG-CD1 4.14Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.36Å; E21-L25 VanDerWaalsContact O-N 3.16Å; E21-Y35 HydrophobicContact CG-CE1 4.4Å; E21-Y35 PolarHBondContact OE1-OH 3.33Å
22A98.1Very high96.9Very high0 Ų062.4 Ų62.40%033%0.331CS..Hα-helixtrans-62.5-39.1178.200000112.3I18 S19 L20 D24 L25 F26 I32 Y35 I36I18-A22 VanDerWaalsContact O-CB 3.25Å; I18-A22 WeakPolarHBondContact O-CB 3.35Å; I18-A22 PolarHBondContact O-N 2.9Å; S19-A22 PolarHBondContact O-N 3.49Å; L20-A22 PolarHBondContact O-N 3.46Å; A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 3.24Å; A22-L25 PolarHBondContact O-N 3.09Å; A22-F26 WeakPolarHBondContact O-CD2 3.41Å; A22-F26 PolarHBondContact O-N 3.36Å; A22-I32 HydrophobicContact CB-CB 4.41Å; A22-I32 HydrophobicContact CB-CG2 3.78Å; A22-Y35 HydrophobicContact CB-CD1 3.65Å; A22-Y35 HydrophobicContact CB-CE1 4.41Å; A22-Y35 HydrophobicContact CB-CG 4.3Å; A22-I36 HydrophobicContact CB-CD1 4.36Å; A22-I36 HydrophobicContact CB-CG1 4.02Å
23M97.3Very high97Very high53 Ų5360.2 Ų60.226%0.26132%0.322SS..Hα-helixtrans-66.4-30.3177-74.6176.966.500112.7S19 L20 E21 I32 I72 L75 F77S19-M23 WeakPolarHBondContact O-CB 3.45Å; S19-M23 VanDerWaalsContact O-CG 3.26Å; S19-M23 WeakPolarHBondContact O-CG 3.23Å; S19-M23 PolarHBondContact O-N 2.95Å; L20-M23 PolarHBondContact O-N 3.27Å; E21-M23 VanDerWaalsContact C-N 3.33Å; E21-M23 PolarHBondContact O-N 3.46Å; M23-I32 HydrophobicContact CG-CD1 4.11Å; M23-I72 HydrophobicContact CE-CG2 4.24Å; M23-I72 HydrophobicContact SD-CB 4.06Å; M23-I72 HydrophobicContact SD-CD1 4.46Å; M23-I72 HydrophobicContact SD-CG2 3.81Å; M23-L75 HydrophobicContact CE-CD1 4.1Å; M23-L75 HydrophobicContact SD-CD1 4.43Å; M23-F77 HydrophobicContact CG-CZ 4.17Å; M23-F77 HydrophobicContact SD-CE2 4.21Å; M23-F77 HydrophobicContact SD-CZ 3.71Å
24D97.3Very high97.1Very high147 Ų14761.2 Ų61.279%0.78633%0.331SS*.Hα-helixtrans-74.5-29.8173.7-72.5-26.6000112.4L20 E21 A22L20-D24 PolarHBondContact O-N 3.07Å; E21-D24 PolarHBondContact O-N 3.01Å; A22-D24 VanDerWaalsContact C-N 3.29Å; A22-D24 PolarHBondContact O-N 3.24Å
25L97.4Very high97.2Very high101 Ų10161.6 Ų61.653%0.52933%0.331SS..Hα-helixtrans-89.5-31.8-176.8-67.8174000114E21 A22 Y35E21-L25 HydrophobicContact CG-CD1 4.14Å; E21-L25 WeakPolarHBondContact O-CG 3.41Å; E21-L25 PolarHBondContact O-N 3.36Å; E21-L25 VanDerWaalsContact O-N 3.16Å; A22-L25 PolarHBondContact O-N 3.09Å; L25-Y35 HydrophobicContact CD1-CE1 4.3Å; L25-Y35 HydrophobicContact CD1-CE2 3.98Å
26F96.9Very high97.3Very high75 Ų7561.6 Ų61.633%0.32933%0.331SS..  trans-130.4133.4-171.6-58.6-83.7000111.5A22 I32 Y35A22-F26 WeakPolarHBondContact O-CD2 3.41Å; A22-F26 PolarHBondContact O-N 3.36Å; F26-I32 HydrophobicContact CB-CG1 3.76Å; F26-Y35 HydrophobicContact CD2-CG 4.4Å; F26-Y35 AromaticContact CE2-CD2 3.53Å; F26-Y35 HydrophobicContact CE2-CD2 3.53Å; F26-Y35 HydrophobicContact CE2-CE2 4.33Å; F26-Y35 AromaticContact CE2-CG 3.7Å; F26-Y35 HydrophobicContact CE2-CG 3.7Å; F26-Y35 HydrophobicContact CZ-CD2 4.08Å
27S93.7Very high97.2Very high128 Ų12860 Ų6090%0.89533%0.325SS*.SBendtrans-91.3-17.3173.5-46.40000113.4
28S96.2Very high97.2Very high64 Ų6461.5 Ų61.545%0.44833%0.329SS..SBendtrans-92.8136.5-179.858.90000111.3D30 G31 I32S28-D30 VanDerWaalsContact C-N 3.27Å; S28-D30 PolarHBondContact O-N 3.48Å; S28-G31 PolarHBondContact O-N 3.43Å; S28-G31 VanDerWaalsContact O-N 3.17Å; S28-G31 PolarHBondContact OG-N 3.06Å; S28-I32 WeakPolarHBondContact O-CG1 3.36Å; S28-I32 PolarHBondContact O-N 2.92Å
29H94.8Very high97.2Very high77 Ų7762.7 Ų62.736%0.35634%0.335SS..Hα-helixtrans-55.3-41.1176.3-60.6165.3000112.9I32 A33 V52 L75H29-I32 PolarHBondContact O-N 2.85Å; H29-A33 WeakPolarHBondContact O-CB 3.31Å; H29-A33 PolarHBondContact O-N 2.8Å; H29-V52 HydrophobicContact CB-CB 4.26Å; H29-V52 HydrophobicContact CB-CG1 4.4Å; H29-L75 VanDerWaalsContact NE2-CD2 3.32Å; H29-L75 WeakPolarHBondContact NE2-CD2 3.39Å
30D95.9Very high97.2Very high126 Ų12662.7 Ų62.767%0.67434%0.335SS*.Hα-helixtrans-63.2-45.9179.3-62.4-22.1000111.2S28 I32 A33 D34S28-D30 VanDerWaalsContact C-N 3.27Å; S28-D30 PolarHBondContact O-N 3.48Å; D30-I32 PolarHBondContact O-N 2.95Å; D30-A33 PolarHBondContact O-N 3.34Å; D30-D34 WeakPolarHBondContact O-CB 3.19Å; D30-D34 VanDerWaalsContact O-CG 3.32Å; D30-D34 PolarHBondContact O-N 2.95Å
31G97.6Very high97.1Very high14 Ų1461 Ų6114%0.14433%0.327CS..Hα-helixtrans-61.5-39.7175.900000113.6S28 Y35S28-G31 PolarHBondContact O-N 3.43Å; S28-G31 VanDerWaalsContact O-N 3.17Å; S28-G31 PolarHBondContact OG-N 3.06Å; G31-Y35 WeakPolarHBondContact O-CB 3.35Å; G31-Y35 PolarHBondContact O-N 3.43Å
32I98.1Very high97Very high4 Ų462.9 Ų62.92%0.02134%0.339CS..Hα-helixtrans-63-49174.5-63.7169.1000109.9A22 M23 F26 S28 H29 D30 Y35 I36 V52 L75 F77A22-I32 HydrophobicContact CB-CB 4.41Å; A22-I32 HydrophobicContact CB-CG2 3.78Å; M23-I32 HydrophobicContact CG-CD1 4.11Å; F26-I32 HydrophobicContact CB-CG1 3.76Å; S28-I32 WeakPolarHBondContact O-CG1 3.36Å; S28-I32 PolarHBondContact O-N 2.92Å; H29-I32 PolarHBondContact O-N 2.85Å; D30-I32 PolarHBondContact O-N 2.95Å; I32-Y35 PolarHBondContact O-N 3.04Å; I32-I36 HydrophobicContact CG2-CD1 3.76Å; I32-I36 WeakPolarHBondContact O-CD1 3.39Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.36Å; I32-I36 PolarHBondContact O-N 3.44Å; I32-I36 VanDerWaalsContact O-N 3.09Å; I32-V52 HydrophobicContact CB-CG2 4.46Å; I32-V52 HydrophobicContact CG2-CG1 4.42Å; I32-V52 HydrophobicContact CG2-CG2 3.95Å; I32-L75 HydrophobicContact CD1-CD1 4.35Å; I32-F77 HydrophobicContact CG2-CE1 3.77Å; I32-F77 HydrophobicContact CG2-CZ 4.39Å
33A97.1Very high96.9Very high8 Ų866.5 Ų66.57%0.06636%0.362CS..Hα-helixtrans-61.3-47-179.300000112.1H29 D30 Y35 I36 A37 C50 V52H29-A33 WeakPolarHBondContact O-CB 3.31Å; H29-A33 PolarHBondContact O-N 2.8Å; D30-A33 PolarHBondContact O-N 3.34Å; A33-Y35 VanDerWaalsContact C-N 3.32Å; A33-Y35 PolarHBondContact O-N 3.33Å; A33-I36 PolarHBondContact O-N 2.62Å; A33-A37 VanDerWaalsContact O-CB 3.31Å; A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 2.97Å; A33-C50 HydrophobicContact CB-CB 4.23Å; A33-C50 WeakPolarHBondContact O-CB 3.36Å; A33-V52 HydrophobicContact CB-CG2 3.99Å
34D98Very high96.6Very high116 Ų11666.6 Ų66.662%0.6236%0.36SS*.Hα-helixtrans-62-39.8178.6-75.2-14.6000111.6D30 K38D30-D34 WeakPolarHBondContact O-CB 3.19Å; D30-D34 VanDerWaalsContact O-CG 3.32Å; D30-D34 PolarHBondContact O-N 2.95Å; D34-K38 WeakPolarHBondContact O-CB 3.44Å; D34-K38 PolarHBondContact O-N 3.45Å
35Y98.4Very high96.3Very high49 Ų4964.3 Ų64.319%0.19236%0.355CS..Hα-helixtrans-61.8-51.7176.2-172.7-99000111.8I18 E21 A22 L25 F26 G31 I32 A33 A37 K38 I39I18-Y35 HydrophobicContact CG2-CD1 4.01Å; I18-Y35 HydrophobicContact CG2-CE1 3.96Å; E21-Y35 HydrophobicContact CG-CE1 4.4Å; E21-Y35 PolarHBondContact OE1-OH 3.33Å; A22-Y35 HydrophobicContact CB-CD1 3.65Å; A22-Y35 HydrophobicContact CB-CE1 4.41Å; A22-Y35 HydrophobicContact CB-CG 4.3Å; L25-Y35 HydrophobicContact CD1-CE1 4.3Å; L25-Y35 HydrophobicContact CD1-CE2 3.98Å; F26-Y35 HydrophobicContact CD2-CG 4.4Å; F26-Y35 AromaticContact CE2-CD2 3.53Å; F26-Y35 HydrophobicContact CE2-CD2 3.53Å; F26-Y35 HydrophobicContact CE2-CE2 4.33Å; F26-Y35 AromaticContact CE2-CG 3.7Å; F26-Y35 HydrophobicContact CE2-CG 3.7Å; F26-Y35 HydrophobicContact CZ-CD2 4.08Å; G31-Y35 WeakPolarHBondContact O-CB 3.35Å; G31-Y35 PolarHBondContact O-N 3.43Å; I32-Y35 PolarHBondContact O-N 3.04Å; A33-Y35 VanDerWaalsContact C-N 3.32Å; A33-Y35 PolarHBondContact O-N 3.33Å; Y35-A37 PolarHBondContact O-N 2.72Å; Y35-K38 PolarHBondContact O-N 3.33Å; Y35-I39 HydrophobicContact CD1-CG1 4.32Å; Y35-I39 HydrophobicContact CE1-CG1 4.05Å; Y35-I39 WeakPolarHBondContact O-CG1 3.5Å; Y35-I39 PolarHBondContact O-N 3.46Å
36I98.2Very high95.9Very high0 Ų061.4 Ų61.40%035%0.349CS..Hα-helixtrans-61.3-47.4-179.5-62.7160.9000110.4I18 S19 A22 I32 A33 K38 I39 F40 C50 V52 F77 L79I18-I36 HydrophobicContact CG2-CB 4.49Å; I18-I36 HydrophobicContact CG2-CG1 4.13Å; S19-I36 VanDerWaalsContact OG-CD1 3.27Å; S19-I36 WeakPolarHBondContact OG-CD1 3.23Å; A22-I36 HydrophobicContact CB-CD1 4.36Å; A22-I36 HydrophobicContact CB-CG1 4.02Å; I32-I36 HydrophobicContact CG2-CD1 3.76Å; I32-I36 WeakPolarHBondContact O-CD1 3.39Å; I32-I36 VanDerWaalsContact O-CG1 3.3Å; I32-I36 WeakPolarHBondContact O-CG1 3.36Å; I32-I36 PolarHBondContact O-N 3.44Å; I32-I36 VanDerWaalsContact O-N 3.09Å; A33-I36 PolarHBondContact O-N 2.62Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 2.84Å; I36-I39 PolarHBondContact O-N 3.02Å; I36-F40 HydrophobicContact CG2-CD2 4.23Å; I36-F40 PolarHBondContact O-N 3.34Å; I36-C50 HydrophobicContact CB-CB 4.2Å; I36-C50 HydrophobicContact CG2-CB 4.25Å; I36-V52 HydrophobicContact CD1-CG2 4.49Å; I36-F77 HydrophobicContact CD1-CD1 3.79Å; I36-F77 HydrophobicContact CD1-CE1 3.75Å; I36-L79 HydrophobicContact CG2-CD1 4.11Å; I36-L79 HydrophobicContact CG2-CD2 3.93Å
37A96.6Very high95.6Very high12 Ų1264.1 Ų64.110%0.09936%0.358CS..Hα-helixtrans-60-43179.100000111.4A33 Y35 F40 N41 C50A33-A37 VanDerWaalsContact O-CB 3.31Å; A33-A37 WeakPolarHBondContact O-CB 3.45Å; A33-A37 PolarHBondContact O-N 2.97Å; Y35-A37 PolarHBondContact O-N 2.72Å; A37-F40 PolarHBondContact O-N 3.18Å; A37-N41 WeakPolarHBondContact O-CB 3.35Å; A37-N41 VanDerWaalsContact O-CG 3.28Å; A37-N41 PolarHBondContact O-N 3.34Å; A37-N41 PolarHBondContact O-ND2 3.07Å; A37-C50 HydrophobicContact CB-CB 4.16Å
38K97.7Very high95.7Very high133 Ų13358.1 Ų58.158%0.57832%0.316SS*.Hα-helixtrans-60.5-50.4176.9-177.6-178.4176.1-172.30112.1D34 Y35 I36 F40 N41 D42D34-K38 WeakPolarHBondContact O-CB 3.44Å; D34-K38 PolarHBondContact O-N 3.45Å; Y35-K38 PolarHBondContact O-N 3.33Å; I36-K38 VanDerWaalsContact C-N 3.32Å; I36-K38 PolarHBondContact O-N 2.84Å; K38-F40 VanDerWaalsContact C-N 3.26Å; K38-F40 PolarHBondContact O-N 3.4Å; K38-N41 PolarHBondContact O-N 3.19Å; K38-D42 PolarHBondContact O-N 3.03Å
39I97.9Very high95.5Very high39 Ų3957.5 Ų57.520%0.231%0.306CS..Hα-helixtrans-60.3-39.7179-64.6-63.8000111I18 Y35 I36 D42 T43I18-I39 HydrophobicContact CD1-CG2 3.93Å; I18-I39 HydrophobicContact CG1-CG2 3.95Å; I18-I39 HydrophobicContact CG2-CB 4.11Å; I18-I39 HydrophobicContact CG2-CG1 4.11Å; I18-I39 HydrophobicContact CG2-CG2 4.22Å; Y35-I39 HydrophobicContact CD1-CG1 4.32Å; Y35-I39 HydrophobicContact CE1-CG1 4.05Å; Y35-I39 WeakPolarHBondContact O-CG1 3.5Å; Y35-I39 PolarHBondContact O-N 3.46Å; I36-I39 PolarHBondContact O-N 3.02Å; I39-D42 PolarHBondContact O-N 3.15Å; I39-T43 VanDerWaalsContact O-CB 3.25Å; I39-T43 WeakPolarHBondContact O-CB 3.34Å; I39-T43 PolarHBondContact O-N 2.72Å; I39-T43 PolarHBondContact O-OG1 3.23Å
40F96.8Very high95.5Very high0 Ų054.6 Ų54.60%029%0.294CS..Hα-helixtrans-68.8-39.2177.6-94.3-108.3000113.1M11 A15 I36 A37 K38 D42 T43 Y44 W48 F68 L79M11-F40 HydrophobicContact CE-CE1 4.44Å; A15-F40 HydrophobicContact CB-CE2 4.07Å; A15-F40 HydrophobicContact CB-CZ 3.66Å; I36-F40 HydrophobicContact CG2-CD2 4.23Å; I36-F40 PolarHBondContact O-N 3.34Å; A37-F40 PolarHBondContact O-N 3.18Å; K38-F40 VanDerWaalsContact C-N 3.26Å; K38-F40 PolarHBondContact O-N 3.4Å; F40-D42 VanDerWaalsContact C-N 3.3Å; F40-D42 PolarHBondContact O-N 3.12Å; F40-T43 PolarHBondContact O-N 3.36Å; F40-Y44 HydrophobicContact CB-CD2 4.35Å; F40-Y44 AromaticContact CD1-CD2 3.38Å; F40-Y44 HydrophobicContact CD1-CD2 3.38Å; F40-Y44 AromaticContact CD1-CE2 3.61Å; F40-Y44 HydrophobicContact CD1-CE2 3.61Å; F40-Y44 HydrophobicContact CD1-CG 4.5Å; F40-Y44 HydrophobicContact CD2-CE2 4.46Å; F40-Y44 AromaticContact CE1-CD2 3.68Å; F40-Y44 HydrophobicContact CE1-CD2 3.68Å; F40-Y44 AromaticContact CE1-CE2 3.42Å; F40-Y44 HydrophobicContact CE1-CE2 3.42Å; F40-Y44 VanDerWaalsContact CE1-CE2 3.42Å; F40-Y44 HydrophobicContact CE2-CE2 4.29Å; F40-Y44 AromaticContact CG-CD2 3.92Å; F40-Y44 HydrophobicContact CG-CD2 3.92Å; F40-Y44 HydrophobicContact CG-CE2 4.14Å; F40-Y44 HydrophobicContact CZ-CD2 4.41Å; F40-Y44 AromaticContact CZ-CE2 3.78Å; F40-Y44 HydrophobicContact CZ-CE2 3.78Å; F40-Y44 WeakPolarHBondContact O-CB 3.5Å; F40-Y44 PolarHBondContact O-N 2.94Å; F40-W48 HydrophobicContact CB-CB 3.83Å; F40-W48 HydrophobicContact CB-CD2 4.17Å; F40-W48 HydrophobicContact CB-CG 3.82Å; F40-W48 AromaticContact CD1-CD2 3.91Å; F40-W48 HydrophobicContact CD1-CD2 3.91Å; F40-W48 AromaticContact CD1-CE3 3.81Å; F40-W48 HydrophobicContact CD1-CE3 3.81Å; F40-W48 HydrophobicContact CD1-CG 4.46Å; F40-W48 HydrophobicContact CD1-CH2 4.4Å; F40-W48 HydrophobicContact CD1-CZ2 4.5Å; F40-W48 HydrophobicContact CD1-CZ3 4.07Å; F40-W48 HydrophobicContact CE1-CZ3 4.43Å; F40-F68 HydrophobicContact CE1-CE2 4.31Å; F40-L79 HydrophobicContact CD1-CD1 4.5Å; F40-L79 HydrophobicContact CD1-CD2 3.71Å; F40-L79 HydrophobicContact CD1-CG 4.38Å; F40-L79 HydrophobicContact CD2-CD2 3.79Å; F40-L79 HydrophobicContact CE1-CD2 3.53Å; F40-L79 HydrophobicContact CE1-CG 4.49Å; F40-L79 HydrophobicContact CE2-CD2 3.62Å; F40-L79 HydrophobicContact CG-CD1 4.32Å; F40-L79 HydrophobicContact CG-CD2 3.85Å; F40-L79 HydrophobicContact CZ-CD2 3.49Å; F40-L79 VanDerWaalsContact CZ-CD2 3.49Å
41N96Very high95.4Very high53 Ų5351.8 Ų51.828%0.28328%0.276SS..Hα-helixtrans-62.9-35.8173.3-78.4-47000112.5A37 K38 G46 Y47 W48A37-N41 WeakPolarHBondContact O-CB 3.35Å; A37-N41 VanDerWaalsContact O-CG 3.28Å; A37-N41 PolarHBondContact O-N 3.34Å; A37-N41 PolarHBondContact O-ND2 3.07Å; K38-N41 PolarHBondContact O-N 3.19Å; N41-G46 PolarHBondContact OD1-O 2.75Å; N41-Y47 WeakPolarHBondContact OD1-CA 3.25Å; N41-W48 PolarHBondContact ND2-O 3.44Å; N41-W48 VanDerWaalsContact ND2-O 3.09Å; N41-W48 PolarHBondContact OD1-N 3.17Å
42D96.6Very high95.3Very high121 Ų12152 Ų5265%0.64728%0.275SS*.Hα-helixtrans-78.4-30.7178.6-69.5-20.1000112.3K38 I39 F40K38-D42 PolarHBondContact O-N 3.03Å; I39-D42 PolarHBondContact O-N 3.15Å; F40-D42 VanDerWaalsContact C-N 3.3Å; F40-D42 PolarHBondContact O-N 3.12Å
43T95.7Very high95Very high76 Ų7652.3 Ų52.347%0.46628%0.279SS..Hα-helixtrans-92-37.8-174.6-54.80000113.2I39 F40I39-T43 VanDerWaalsContact O-CB 3.25Å; I39-T43 WeakPolarHBondContact O-CB 3.34Å; I39-T43 PolarHBondContact O-N 2.72Å; I39-T43 PolarHBondContact O-OG1 3.23Å; F40-T43 PolarHBondContact O-N 3.36Å
44Y92.7Very high94.4Very high56 Ų5656.2 Ų56.222%0.2230%0.302CS..SBendtrans-120.9147.9-171.6-57.1-72.5000111.3M11 H14 F40M11-Y44 HydrophobicContact CE-CD1 3.85Å; M11-Y44 HydrophobicContact CE-CD2 4.15Å; M11-Y44 HydrophobicContact CE-CE1 4.1Å; M11-Y44 HydrophobicContact CE-CE2 4.37Å; M11-Y44 HydrophobicContact CE-CG 3.87Å; M11-Y44 HydrophobicContact CG-CD1 4.31Å; M11-Y44 HydrophobicContact CG-CE1 3.65Å; M11-Y44 HydrophobicContact CG-CE2 4.49Å; M11-Y44 HydrophobicContact SD-CD1 4.27Å; M11-Y44 HydrophobicContact SD-CE1 4.18Å; H14-Y44 AromaticContact ND1-CE2 3.5Å; H14-Y44 WeakPolarHBondContact ND1-CE2 3.49Å; H14-Y44 AromaticContact ND1-CZ 3.54Å; H14-Y44 PolarHBondContact ND1-OH 3.33Å; F40-Y44 HydrophobicContact CB-CD2 4.35Å; F40-Y44 AromaticContact CD1-CD2 3.38Å; F40-Y44 HydrophobicContact CD1-CD2 3.38Å; F40-Y44 AromaticContact CD1-CE2 3.61Å; F40-Y44 HydrophobicContact CD1-CE2 3.61Å; F40-Y44 HydrophobicContact CD1-CG 4.5Å; F40-Y44 HydrophobicContact CD2-CE2 4.46Å; F40-Y44 AromaticContact CE1-CD2 3.68Å; F40-Y44 HydrophobicContact CE1-CD2 3.68Å; F40-Y44 AromaticContact CE1-CE2 3.42Å; F40-Y44 HydrophobicContact CE1-CE2 3.42Å; F40-Y44 VanDerWaalsContact CE1-CE2 3.42Å; F40-Y44 HydrophobicContact CE2-CE2 4.29Å; F40-Y44 AromaticContact CG-CD2 3.92Å; F40-Y44 HydrophobicContact CG-CD2 3.92Å; F40-Y44 HydrophobicContact CG-CE2 4.14Å; F40-Y44 HydrophobicContact CZ-CD2 4.41Å; F40-Y44 AromaticContact CZ-CE2 3.78Å; F40-Y44 HydrophobicContact CZ-CE2 3.78Å; F40-Y44 WeakPolarHBondContact O-CB 3.5Å; F40-Y44 PolarHBondContact O-N 2.94Å
45S89.4Confident93.4Very high98 Ų9856.3 Ų56.369%0.68531%0.307SS*.SBendtrans-68.4144176.464.90000111.7W48 K81S45-W48 PolarHBondContact O-NE1 3.42Å; S45-K81 WeakPolarHBondContact O-CE 3.36Å; S45-K81 PolarHBondContact O-NZ 3.05Å
46G89.1Confident91.8Very high40 Ų4057 Ų5741%0.41231%0.311SS..SBendtrans107174.1179.500000112.6N41N41-G46 PolarHBondContact OD1-O 2.75Å
47Y91.4Very high90Very high132 Ų13259.7 Ų59.752%0.51834%0.339SS..EExtended strand (participates in β ladder)trans-92.4127.8171.9-178-125.5000108.7N41 E49 K81 S82N41-Y47 WeakPolarHBondContact OD1-CA 3.25Å; Y47-E49 HydrophobicContact CD1-CG 4.33Å; Y47-E49 HydrophobicContact CE1-CG 3.65Å; Y47-E49 VanDerWaalsContact CE1-OE1 3.24Å; Y47-E49 WeakPolarHBondContact CE1-OE1 3.47Å; Y47-K81 CarbonylContact O-C 3.51Å; Y47-K81 WeakPolarHBondContact O-CA 3.28Å; Y47-S82 PolarHBondContact O-N 3.24Å
48W94.6Very high88.2Confident3 Ų364.8 Ų64.81%0.01137%0.374CS..EExtended strand (participates in β ladder)trans-117.3135.5-177.3-70.185.6000109.9M11 F40 N41 S45 Y66 F68 L79 Y80 K81M11-W48 HydrophobicContact CE-CH2 3.38Å; M11-W48 HydrophobicContact CE-CZ2 3.43Å; M11-W48 VanDerWaalsContact CE-CZ2 3.43Å; M11-W48 HydrophobicContact CE-CZ3 4.46Å; F40-W48 HydrophobicContact CB-CB 3.83Å; F40-W48 HydrophobicContact CB-CD2 4.17Å; F40-W48 HydrophobicContact CB-CG 3.82Å; F40-W48 AromaticContact CD1-CD2 3.91Å; F40-W48 HydrophobicContact CD1-CD2 3.91Å; F40-W48 AromaticContact CD1-CE3 3.81Å; F40-W48 HydrophobicContact CD1-CE3 3.81Å; F40-W48 HydrophobicContact CD1-CG 4.46Å; F40-W48 HydrophobicContact CD1-CH2 4.4Å; F40-W48 HydrophobicContact CD1-CZ2 4.5Å; F40-W48 HydrophobicContact CD1-CZ3 4.07Å; F40-W48 HydrophobicContact CE1-CZ3 4.43Å; N41-W48 PolarHBondContact ND2-O 3.44Å; N41-W48 VanDerWaalsContact ND2-O 3.09Å; N41-W48 PolarHBondContact OD1-N 3.17Å; S45-W48 PolarHBondContact O-NE1 3.42Å; W48-Y66 HydrophobicContact CH2-CD1 4.02Å; W48-Y66 HydrophobicContact CH2-CG 4.3Å; W48-Y66 HydrophobicContact CZ2-CD1 4.43Å; W48-F68 HydrophobicContact CH2-CE2 4.02Å; W48-F68 HydrophobicContact CZ3-CD2 4.33Å; W48-F68 AromaticContact CZ3-CE2 3.93Å; W48-F68 HydrophobicContact CZ3-CE2 3.93Å; W48-L79 HydrophobicContact CE3-CD1 4.08Å; W48-L79 HydrophobicContact CE3-CG 4.12Å; W48-L79 HydrophobicContact CZ3-CG 4.41Å; W48-Y80 WeakPolarHBondContact CA-O 3.46Å; W48-K81 HydrophobicContact CD2-CB 4.06Å; W48-K81 HydrophobicContact CE3-CB 4.08Å; W48-K81 HydrophobicContact CH2-CB 3.91Å; W48-K81 HydrophobicContact CZ2-CB 3.87Å; W48-K81 HydrophobicContact CZ2-CD 3.98Å; W48-K81 HydrophobicContact CZ2-CG 4.26Å; W48-K81 HydrophobicContact CZ3-CB 4.01Å
49E93.4Very high86.3Confident51 Ų5162.1 Ų62.124%0.23836%0.363CS..EExtended strand (participates in β ladder)trans-123.8139.8176.6-68.6176.3-137.300109.1Y47 L79 Y80 S82Y47-E49 HydrophobicContact CD1-CG 4.33Å; Y47-E49 HydrophobicContact CE1-CG 3.65Å; Y47-E49 VanDerWaalsContact CE1-OE1 3.24Å; Y47-E49 WeakPolarHBondContact CE1-OE1 3.47Å; E49-L79 WeakPolarHBondContact O-CD1 3.46Å; E49-Y80 HydrophobicContact CB-CD2 4.41Å; E49-Y80 HydrophobicContact CB-CE1 4.1Å; E49-Y80 HydrophobicContact CB-CE2 3.81Å; E49-Y80 HydrophobicContact CG-CE2 4.36Å; E49-Y80 PolarHBondContact N-O 3.3Å; E49-Y80 PolarHBondContact O-N 3.17Å; E49-Y80 PolarHBondContact OE2-OH 3.24Å; E49-S82 WeakPolarHBondContact OE1-CB 3.3Å; E49-S82 PolarHBondContact OE1-OG 2.91Å
50C95Very high84.2Confident16 Ų1667.3 Ų67.311%0.10839%0.391CS..EExtended strand (participates in β ladder)trans-120.5145.7174.4-167.60000109.7A33 I36 A37 L78 L79A33-C50 HydrophobicContact CB-CB 4.23Å; A33-C50 WeakPolarHBondContact O-CB 3.36Å; I36-C50 HydrophobicContact CB-CB 4.2Å; I36-C50 HydrophobicContact CG2-CB 4.25Å; A37-C50 HydrophobicContact CB-CB 4.16Å; C50-L78 CarbonylContact C-O 3.51Å; C50-L78 WeakPolarHBondContact CA-O 3.27Å; C50-L79 HydrophobicContact CB-CD1 3.96Å
51K93.4Very high82.2Confident66 Ų6674.3 Ų74.329%0.28743%0.434SS..EExtended strand (participates in β ladder)trans-130.3136.3170.8-64.7178.3-176.6159.60108.4F56 F59 L78 Y80K51-F56 HydrophobicContact CB-CE1 4.11Å; K51-F56 VanDerWaalsContact O-CZ 3.29Å; K51-F56 WeakPolarHBondContact O-CZ 3.35Å; K51-F59 HydrophobicContact CD-CD1 4.07Å; K51-F59 HydrophobicContact CD-CE1 3.33Å; K51-F59 HydrophobicContact CD-CE2 4.28Å; K51-F59 HydrophobicContact CD-CZ 3.44Å; K51-F59 VanDerWaalsContact CD-CZ 3.44Å; K51-L78 HydrophobicContact CB-CB 4.43Å; K51-L78 PolarHBondContact N-O 2.88Å; K51-L78 PolarHBondContact O-N 3.27Å; K51-Y80 HydrophobicContact CD-CE1 4.4Å; K51-Y80 VanDerWaalsContact CE-OH 3.23Å; K51-Y80 WeakPolarHBondContact CE-OH 3.19Å; K51-Y80 PolarHBondContact NZ-OH 2.82Å
52V94.9Very high80.4Confident19 Ų1972.7 Ų72.712%0.11543%0.426CS..EExtended strand (participates in β ladder)trans-130.1135.7-179-176.50000109.1H29 I32 A33 I36 L75 A76 F77H29-V52 HydrophobicContact CB-CB 4.26Å; H29-V52 HydrophobicContact CB-CG1 4.4Å; I32-V52 HydrophobicContact CB-CG2 4.46Å; I32-V52 HydrophobicContact CG2-CG1 4.42Å; I32-V52 HydrophobicContact CG2-CG2 3.95Å; A33-V52 HydrophobicContact CB-CG2 3.99Å; I36-V52 HydrophobicContact CD1-CG2 4.49Å; V52-L75 HydrophobicContact CG1-CB 4.33Å; V52-L75 HydrophobicContact CG1-CD1 4.14Å; V52-A76 WeakPolarHBondContact CA-O 3.38Å; V52-F77 HydrophobicContact CB-CE1 4.46Å; V52-F77 HydrophobicContact CG1-CD1 4.33Å; V52-F77 HydrophobicContact CG1-CE1 3.91Å; V52-F77 HydrophobicContact CG1-CZ 4.01Å; V52-F77 HydrophobicContact CG2-CD1 3.6Å; V52-F77 HydrophobicContact CG2-CE1 3.65Å; V52-F77 HydrophobicContact CG2-CG 4.47Å
53G92.1Very high78.7Confident10 Ų1072.6 Ų72.610%0.10343%0.426CS..EExtended strand (participates in β ladder)trans176.8-179.7177.800000112.7A76G53-A76 PolarHBondContact N-O 3.29Å; G53-A76 VanDerWaalsContact N-O 3.1Å; G53-A76 WeakPolarHBondContact O-CA 3.15Å; G53-A76 WeakPolarHBondContact O-CB 3.29Å; G53-A76 PolarHBondContact O-N 3.43Å
54T85.6Confident77.4Confident90 Ų9076.2 Ų76.255%0.55244%0.441SS*.SBendtrans-86.8-17.7-178.553.50000113.6L75T54-L75 HydrophobicContact CG2-CD2 4.39Å
55T75.5Confident76.6Confident119 Ų11977.9 Ų77.973%0.7345%0.451SS*.  trans-141.5136.317652.80000110.1
56F64.7Low76.4Confident62 Ų6276.7 Ų76.727%0.27243%0.432SS..  trans-108.3123.9168.5-66-48.3000109.4K51 F59 A76 F77 L78K51-F56 HydrophobicContact CB-CE1 4.11Å; K51-F56 VanDerWaalsContact O-CZ 3.29Å; K51-F56 WeakPolarHBondContact O-CZ 3.35Å; F56-F59 HydrophobicContact CB-CD2 4.14Å; F56-F59 HydrophobicContact CB-CE2 3.84Å; F56-F59 HydrophobicContact CD1-CD2 4.43Å; F56-F59 AromaticContact CD1-CE2 3.59Å; F56-F59 HydrophobicContact CD1-CE2 3.59Å; F56-F59 HydrophobicContact CD1-CZ 4.4Å; F56-F59 HydrophobicContact CE1-CE2 4.45Å; F56-F59 HydrophobicContact CG-CD2 4.5Å; F56-F59 HydrophobicContact CG-CE2 4.01Å; F56-A76 HydrophobicContact CD2-CB 3.4Å; F56-A76 HydrophobicContact CE1-CB 4.4Å; F56-A76 HydrophobicContact CE2-CB 3.04Å; F56-A76 HydrophobicContact CG-CB 4.25Å; F56-A76 HydrophobicContact CZ-CB 3.63Å; F56-A76 WeakPolarHBondContact CZ-O 3.5Å; F56-F77 WeakPolarHBondContact CE2-O 3.26Å; F56-F77 VanDerWaalsContact CZ-CA 3.49Å; F56-L78 HydrophobicContact CD2-CB 4.38Å; F56-L78 HydrophobicContact CE1-CB 4.07Å; F56-L78 HydrophobicContact CE2-CB 3.87Å; F56-L78 HydrophobicContact CZ-CB 3.7Å; F56-L78 VanDerWaalsContact CZ-N 3.26Å
57G61.7Low76.4Confident57 Ų5775.4 Ų75.459%0.58842%0.417SS*.  trans-60.9163.3158.100000110F59G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.47Å; G57-F59 PolarHBondContact O-N 2.9Å
58S58.5Low76.4Confident120 Ų12069.6 Ų69.684%0.83939%0.394SS*.  trans-60.394.3172.252.60000109.3D60S58-D60 PolarHBondContact O-N 2.82Å
59F56.4Low76.2Confident77 Ų7775.9 Ų75.934%0.33842%0.418SS..  trans-68.7123.7171.1-73.1-81.6000107.8K51 F56 G57 T61 L78K51-F59 HydrophobicContact CD-CD1 4.07Å; K51-F59 HydrophobicContact CD-CE1 3.33Å; K51-F59 HydrophobicContact CD-CE2 4.28Å; K51-F59 HydrophobicContact CD-CZ 3.44Å; K51-F59 VanDerWaalsContact CD-CZ 3.44Å; F56-F59 HydrophobicContact CB-CD2 4.14Å; F56-F59 HydrophobicContact CB-CE2 3.84Å; F56-F59 HydrophobicContact CD1-CD2 4.43Å; F56-F59 AromaticContact CD1-CE2 3.59Å; F56-F59 HydrophobicContact CD1-CE2 3.59Å; F56-F59 HydrophobicContact CD1-CZ 4.4Å; F56-F59 HydrophobicContact CE1-CE2 4.45Å; F56-F59 HydrophobicContact CG-CD2 4.5Å; F56-F59 HydrophobicContact CG-CE2 4.01Å; G57-F59 VanDerWaalsContact C-N 3.32Å; G57-F59 WeakPolarHBondContact O-CD2 3.47Å; G57-F59 PolarHBondContact O-N 2.9Å; F59-T61 PolarHBondContact O-N 2.91Å; F59-L78 HydrophobicContact CB-CD2 3.6Å; F59-L78 HydrophobicContact CD1-CD2 4.05Å; F59-L78 HydrophobicContact CD2-CD2 3.12Å; F59-L78 HydrophobicContact CE2-CD2 3.74Å; F59-L78 HydrophobicContact CG-CD2 3.28Å; F59-L78 HydrophobicContact CZ-CD2 4.42Å
60D54.8Low76.2Confident148 Ų14874.3 Ų74.379%0.79141%0.41SS*.  trans-49.7136.6-177.3-71.1-49.6000110.8S58 C62S58-D60 PolarHBondContact O-N 2.82Å; D60-C62 VanDerWaalsContact C-N 3.28Å; D60-C62 PolarHBondContact O-N 2.93Å
61T55.8Low76.1Confident147 Ų14780.6 Ų80.690%0.90244%0.436SS*.  trans-18.278.2179.448.70000114.4F59F59-T61 PolarHBondContact O-N 2.91Å
62C57Low76.2Confident19 Ų1978.4 Ų78.413%0.12843%0.427CS..  trans-72.9132.9169.7-171.10000107.9D60 L64 C67 Y80D60-C62 VanDerWaalsContact C-N 3.28Å; D60-C62 PolarHBondContact O-N 2.93Å; C62-L64 PolarHBondContact O-N 3.17Å; C62-C67 HydrophobicContact CB-CB 3.87Å; C62-Y80 WeakPolarHBondContact SG-CB 3.39Å
63D60.3Low76Confident119 Ų11984.4 Ų84.464%0.63646%0.458SS*.  trans-43.1114.7-178.3-106.2-43000110.3E65 Y66D63-E65 PolarHBondContact O-N 2.79Å; D63-Y66 PolarHBondContact O-N 3.22Å; D63-Y66 VanDerWaalsContact O-N 3.12Å
64L69Low75.9Confident152 Ų15291.7 Ų91.780%0.79649%0.49SS*.THydrogen-bonded Turntrans-58.7-19.5-162-70.8167.4000114C62C62-L64 PolarHBondContact O-N 3.17Å
65E77.1Confident76.3Confident90 Ų9088.6 Ų88.642%0.42147%0.469SS..THydrogen-bonded Turntrans-78.1-35.3-179-167.9176.7-172.200113.4D63D63-E65 PolarHBondContact O-N 2.79Å
66Y84.2Confident77.2Confident73 Ų7382.9 Ų82.929%0.28644%0.435SS..SBendtrans-120.438.2-174-61-72.9000111.8M11 W48 D63 Y80 K81M11-Y66 HydrophobicContact CE-CD1 3.98Å; M11-Y66 HydrophobicContact CE-CE1 4.27Å; M11-Y66 HydrophobicContact SD-CD1 4.13Å; M11-Y66 HydrophobicContact SD-CE1 3.92Å; W48-Y66 HydrophobicContact CH2-CD1 4.02Å; W48-Y66 HydrophobicContact CH2-CG 4.3Å; W48-Y66 HydrophobicContact CZ2-CD1 4.43Å; D63-Y66 PolarHBondContact O-N 3.22Å; D63-Y66 VanDerWaalsContact O-N 3.12Å; Y66-Y80 WeakPolarHBondContact O-CA 3Å; Y66-K81 PolarHBondContact O-N 2.99Å
67C89.5Confident78.7Confident14 Ų1480 Ų8010%0.09542%0.422CS..EExtended strand (participates in β ladder)trans-124.2109.8174.2-179.70000109.7C62 R69 L78C62-C67 HydrophobicContact CB-CB 3.87Å; C67-R69 PolarHBondContact SG-NH1 3.16Å; C67-R69 VanDerWaalsContact SG-NH1 3.43Å; C67-L78 VanDerWaalsContact SG-CD1 3.58Å
68F91.5Very high80.2Confident9 Ų977.3 Ų77.34%0.03939%0.394CS..EExtended strand (participates in β ladder)trans-105.9122.4-177.8-52.7-55.5000109.9M11 H12 F40 W48 Y70 L78 L79M11-F68 HydrophobicContact CB-CE1 4.46Å; M11-F68 HydrophobicContact CB-CE2 3.87Å; M11-F68 HydrophobicContact CB-CZ 3.55Å; M11-F68 HydrophobicContact CE-CE2 4.23Å; M11-F68 HydrophobicContact CE-CZ 4.34Å; H12-F68 HydrophobicContact CB-CD1 3.92Å; H12-F68 HydrophobicContact CB-CE1 4.12Å; H12-F68 AromaticContact ND1-CD1 3.36Å; H12-F68 WeakPolarHBondContact ND1-CD1 3.49Å; H12-F68 AromaticContact ND1-CG 3.71Å; F40-F68 HydrophobicContact CE1-CE2 4.31Å; W48-F68 HydrophobicContact CH2-CE2 4.02Å; W48-F68 HydrophobicContact CZ3-CD2 4.33Å; W48-F68 AromaticContact CZ3-CE2 3.93Å; W48-F68 HydrophobicContact CZ3-CE2 3.93Å; F68-Y70 HydrophobicContact CB-CD1 4.38Å; F68-Y70 HydrophobicContact CB-CE1 4.2Å; F68-L78 WeakPolarHBondContact O-CA 3.32Å; F68-L79 HydrophobicContact CB-CB 4.42Å; F68-L79 HydrophobicContact CD2-CD2 4.22Å; F68-L79 HydrophobicContact CD2-CG 4.36Å; F68-L79 PolarHBondContact N-O 2.74Å; F68-L79 PolarHBondContact O-N 3.1Å
69R90.1Very high81.8Confident135 Ų13571.6 Ų71.651%0.50935%0.354SS..EExtended strand (participates in β ladder)trans-122.4126.1176.2-73.8178.3-75.8-109.9-3109.3C67 F77 L78C67-R69 PolarHBondContact SG-NH1 3.16Å; C67-R69 VanDerWaalsContact SG-NH1 3.43Å; R69-F77 WeakPolarHBondContact CA-O 3.48Å; R69-L78 HydrophobicContact CG-CD1 3.47Å; R69-L78 VanDerWaalsContact CG-CD1 3.47Å
70Y92.6Very high83.5Confident19 Ų1969.2 Ų69.28%0.07534%0.343CS..EExtended strand (participates in β ladder)trans-156.9168.3179.252.8-84.4000110.4H12 A15 I16 S19 F68 I72 F77H12-Y70 AromaticContact CE1-CD1 3.73Å; A15-Y70 HydrophobicContact CB-CE1 3.98Å; A15-Y70 PolarHBondContact O-OH 3.42Å; A15-Y70 VanDerWaalsContact O-OH 3.12Å; I16-Y70 HydrophobicContact CG1-CD2 4.05Å; I16-Y70 HydrophobicContact CG1-CE2 4.14Å; I16-Y70 HydrophobicContact CG1-CG 4.3Å; S19-Y70 PolarHBondContact OG-OH 2.87Å; F68-Y70 HydrophobicContact CB-CD1 4.38Å; F68-Y70 HydrophobicContact CB-CE1 4.2Å; Y70-I72 HydrophobicContact CD2-CD1 4.29Å; Y70-I72 HydrophobicContact CD2-CG1 4.04Å; Y70-I72 HydrophobicContact CE2-CD1 3.99Å; Y70-I72 HydrophobicContact CE2-CG1 4.22Å; Y70-F77 HydrophobicContact CD1-CB 4.31Å; Y70-F77 HydrophobicContact CD2-CB 3.8Å; Y70-F77 HydrophobicContact CD2-CD2 4.09Å; Y70-F77 HydrophobicContact CD2-CG 4.1Å; Y70-F77 HydrophobicContact CE1-CB 3.96Å; Y70-F77 HydrophobicContact CE2-CB 3.4Å; Y70-F77 HydrophobicContact CE2-CD1 4.14Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 AromaticContact CE2-CG 3.53Å; Y70-F77 HydrophobicContact CE2-CG 3.53Å; Y70-F77 HydrophobicContact CG-CB 4.23Å; Y70-F77 VanDerWaalsContact CZ-CB 3.48Å; Y70-F77 AromaticContact CZ-CG 3.96Å; Y70-F77 PolarHBondContact N-O 3.04Å; Y70-F77 PolarHBondContact O-N 2.93Å
71F93.5Very high85.2Confident148 Ų14865.5 Ų65.565%0.64932%0.32SS*.EExtended strand (participates in β ladder)trans-120.7139.5174.8-68.6-95.6000108.9L75 A76F71-L75 CarbonylContact C-O 3.58Å; F71-L75 VanDerWaalsContact CA-O 3.28Å; F71-L75 WeakPolarHBondContact CA-O 3.38Å; F71-A76 HydrophobicContact CD1-CB 3.62Å; F71-A76 HydrophobicContact CE1-CB 3.29Å; F71-A76 HydrophobicContact CZ-CB 3.94Å
72I95.2Very high86.6Confident19 Ų1959.9 Ų59.910%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-123.9115.5165.6-54.3179.2000105.3I16 L20 M23 Y70 E74 L75 F77I16-I72 HydrophobicContact CG2-CD1 4.43Å; L20-I72 HydrophobicContact CD2-CD1 4.24Å; L20-I72 HydrophobicContact CD2-CG2 3.84Å; L20-I72 HydrophobicContact CG-CD1 4.25Å; M23-I72 HydrophobicContact CE-CG2 4.24Å; M23-I72 HydrophobicContact SD-CB 4.06Å; M23-I72 HydrophobicContact SD-CD1 4.46Å; M23-I72 HydrophobicContact SD-CG2 3.81Å; Y70-I72 HydrophobicContact CD2-CD1 4.29Å; Y70-I72 HydrophobicContact CD2-CG1 4.04Å; Y70-I72 HydrophobicContact CE2-CD1 3.99Å; Y70-I72 HydrophobicContact CE2-CG1 4.22Å; I72-E74 PolarHBondContact O-N 3.18Å; I72-L75 PolarHBondContact N-O 3.21Å; I72-L75 PolarHBondContact O-N 3.47Å; I72-F77 HydrophobicContact CB-CD2 4.43Å; I72-F77 HydrophobicContact CB-CE2 3.82Å; I72-F77 HydrophobicContact CD1-CD2 4.46Å; I72-F77 HydrophobicContact CD1-CE2 4.11Å; I72-F77 HydrophobicContact CD1-CZ 4.4Å; I72-F77 HydrophobicContact CG1-CD2 4.2Å; I72-F77 HydrophobicContact CG1-CE2 3.96Å
73D91.1Very high87.2Confident145 Ų14569.1 Ų69.178%0.77534%0.335SS*.THydrogen-bonded Turntrans51.9-119.2-170-56-36.8000112.3
74E90.9Very high88.6Confident164 Ų16466.7 Ų66.777%0.76632%0.32SS*.THydrogen-bonded Turntrans-91.6-5.7179.3-59.6-173.9-178.100113.2I72I72-E74 PolarHBondContact O-N 3.18Å
75L93.9Very high89.6Confident24 Ų2462.2 Ų62.213%0.12630%0.295CS..EExtended strand (participates in β ladder)trans-94.7127-178.2-63.9-175.6000110.7M23 H29 I32 V52 T54 F71 I72 F77M23-L75 HydrophobicContact CE-CD1 4.1Å; M23-L75 HydrophobicContact SD-CD1 4.43Å; H29-L75 VanDerWaalsContact NE2-CD2 3.32Å; H29-L75 WeakPolarHBondContact NE2-CD2 3.39Å; I32-L75 HydrophobicContact CD1-CD1 4.35Å; V52-L75 HydrophobicContact CG1-CB 4.33Å; V52-L75 HydrophobicContact CG1-CD1 4.14Å; T54-L75 HydrophobicContact CG2-CD2 4.39Å; F71-L75 CarbonylContact C-O 3.58Å; F71-L75 VanDerWaalsContact CA-O 3.28Å; F71-L75 WeakPolarHBondContact CA-O 3.38Å; I72-L75 PolarHBondContact N-O 3.21Å; I72-L75 PolarHBondContact O-N 3.47Å; L75-F77 HydrophobicContact CB-CD2 4.44Å; L75-F77 HydrophobicContact CB-CE2 3.62Å; L75-F77 HydrophobicContact CB-CZ 4.12Å; L75-F77 HydrophobicContact CD1-CZ 4.44Å; L75-F77 WeakPolarHBondContact O-CD2 3.39Å
76A94Very high90.3Very high0 Ų060.6 Ų60.60%029%0.288CS..EExtended strand (participates in β ladder)trans-87.4140168.900000108.6V52 G53 F56 F71V52-A76 WeakPolarHBondContact CA-O 3.38Å; G53-A76 PolarHBondContact N-O 3.29Å; G53-A76 VanDerWaalsContact N-O 3.1Å; G53-A76 WeakPolarHBondContact O-CA 3.15Å; G53-A76 WeakPolarHBondContact O-CB 3.29Å; G53-A76 PolarHBondContact O-N 3.43Å; F56-A76 HydrophobicContact CD2-CB 3.4Å; F56-A76 HydrophobicContact CE1-CB 4.4Å; F56-A76 HydrophobicContact CE2-CB 3.04Å; F56-A76 HydrophobicContact CG-CB 4.25Å; F56-A76 HydrophobicContact CZ-CB 3.63Å; F56-A76 WeakPolarHBondContact CZ-O 3.5Å; F71-A76 HydrophobicContact CD1-CB 3.62Å; F71-A76 HydrophobicContact CE1-CB 3.29Å; F71-A76 HydrophobicContact CZ-CB 3.94Å
77F94.8Very high90.6Very high0 Ų059.9 Ų59.90%029%0.288CS..EExtended strand (participates in β ladder)trans-120.4132.1175.4-66.1-101.7000110.4M23 I32 I36 V52 F56 R69 Y70 I72 L75M23-F77 HydrophobicContact CG-CZ 4.17Å; M23-F77 HydrophobicContact SD-CE2 4.21Å; M23-F77 HydrophobicContact SD-CZ 3.71Å; I32-F77 HydrophobicContact CG2-CE1 3.77Å; I32-F77 HydrophobicContact CG2-CZ 4.39Å; I36-F77 HydrophobicContact CD1-CD1 3.79Å; I36-F77 HydrophobicContact CD1-CE1 3.75Å; V52-F77 HydrophobicContact CB-CE1 4.46Å; V52-F77 HydrophobicContact CG1-CD1 4.33Å; V52-F77 HydrophobicContact CG1-CE1 3.91Å; V52-F77 HydrophobicContact CG1-CZ 4.01Å; V52-F77 HydrophobicContact CG2-CD1 3.6Å; V52-F77 HydrophobicContact CG2-CE1 3.65Å; V52-F77 HydrophobicContact CG2-CG 4.47Å; F56-F77 WeakPolarHBondContact CE2-O 3.26Å; F56-F77 VanDerWaalsContact CZ-CA 3.49Å; R69-F77 WeakPolarHBondContact CA-O 3.48Å; Y70-F77 HydrophobicContact CD1-CB 4.31Å; Y70-F77 HydrophobicContact CD2-CB 3.8Å; Y70-F77 HydrophobicContact CD2-CD2 4.09Å; Y70-F77 HydrophobicContact CD2-CG 4.1Å; Y70-F77 HydrophobicContact CE1-CB 3.96Å; Y70-F77 HydrophobicContact CE2-CB 3.4Å; Y70-F77 HydrophobicContact CE2-CD1 4.14Å; Y70-F77 AromaticContact CE2-CD2 3.86Å; Y70-F77 HydrophobicContact CE2-CD2 3.86Å; Y70-F77 AromaticContact CE2-CG 3.53Å; Y70-F77 HydrophobicContact CE2-CG 3.53Å; Y70-F77 HydrophobicContact CG-CB 4.23Å; Y70-F77 VanDerWaalsContact CZ-CB 3.48Å; Y70-F77 AromaticContact CZ-CG 3.96Å; Y70-F77 PolarHBondContact N-O 3.04Å; Y70-F77 PolarHBondContact O-N 2.93Å; I72-F77 HydrophobicContact CB-CD2 4.43Å; I72-F77 HydrophobicContact CB-CE2 3.82Å; I72-F77 HydrophobicContact CD1-CD2 4.46Å; I72-F77 HydrophobicContact CD1-CE2 4.11Å; I72-F77 HydrophobicContact CD1-CZ 4.4Å; I72-F77 HydrophobicContact CG1-CD2 4.2Å; I72-F77 HydrophobicContact CG1-CE2 3.96Å; L75-F77 HydrophobicContact CB-CD2 4.44Å; L75-F77 HydrophobicContact CB-CE2 3.62Å; L75-F77 HydrophobicContact CB-CZ 4.12Å; L75-F77 HydrophobicContact CD1-CZ 4.44Å; L75-F77 WeakPolarHBondContact O-CD2 3.39Å
78L93.3Very high90.7Very high2 Ų262.8 Ų62.81%0.0130%0.3CS..EExtended strand (participates in β ladder)trans-127.7108.2171.6171.165.5000107.8C50 K51 F56 F59 C67 F68 R69 Y80C50-L78 CarbonylContact C-O 3.51Å; C50-L78 WeakPolarHBondContact CA-O 3.27Å; K51-L78 HydrophobicContact CB-CB 4.43Å; K51-L78 PolarHBondContact N-O 2.88Å; K51-L78 PolarHBondContact O-N 3.27Å; F56-L78 HydrophobicContact CD2-CB 4.38Å; F56-L78 HydrophobicContact CE1-CB 4.07Å; F56-L78 HydrophobicContact CE2-CB 3.87Å; F56-L78 HydrophobicContact CZ-CB 3.7Å; F56-L78 VanDerWaalsContact CZ-N 3.26Å; F59-L78 HydrophobicContact CB-CD2 3.6Å; F59-L78 HydrophobicContact CD1-CD2 4.05Å; F59-L78 HydrophobicContact CD2-CD2 3.12Å; F59-L78 HydrophobicContact CE2-CD2 3.74Å; F59-L78 HydrophobicContact CG-CD2 3.28Å; F59-L78 HydrophobicContact CZ-CD2 4.42Å; C67-L78 VanDerWaalsContact SG-CD1 3.58Å; F68-L78 WeakPolarHBondContact O-CA 3.32Å; R69-L78 HydrophobicContact CG-CD1 3.47Å; R69-L78 VanDerWaalsContact CG-CD1 3.47Å; L78-Y80 HydrophobicContact CD1-CD1 4.33Å; L78-Y80 HydrophobicContact CD2-CD1 4.26Å; L78-Y80 HydrophobicContact CD2-CE1 4.23Å; L78-Y80 HydrophobicContact CG-CD1 3.9Å; L78-Y80 HydrophobicContact CG-CE1 4.26Å
79L93.9Very high90.7Very high0 Ų066.3 Ų66.30%032%0.317CS..EExtended strand (participates in β ladder)trans-115.2126.6178.2175.562.5000109A15 I36 F40 W48 E49 C50 F68A15-L79 HydrophobicContact CB-CD2 3.7Å; I36-L79 HydrophobicContact CG2-CD1 4.11Å; I36-L79 HydrophobicContact CG2-CD2 3.93Å; F40-L79 HydrophobicContact CD1-CD1 4.5Å; F40-L79 HydrophobicContact CD1-CD2 3.71Å; F40-L79 HydrophobicContact CD1-CG 4.38Å; F40-L79 HydrophobicContact CD2-CD2 3.79Å; F40-L79 HydrophobicContact CE1-CD2 3.53Å; F40-L79 HydrophobicContact CE1-CG 4.49Å; F40-L79 HydrophobicContact CE2-CD2 3.62Å; F40-L79 HydrophobicContact CG-CD1 4.32Å; F40-L79 HydrophobicContact CG-CD2 3.85Å; F40-L79 HydrophobicContact CZ-CD2 3.49Å; F40-L79 VanDerWaalsContact CZ-CD2 3.49Å; W48-L79 HydrophobicContact CE3-CD1 4.08Å; W48-L79 HydrophobicContact CE3-CG 4.12Å; W48-L79 HydrophobicContact CZ3-CG 4.41Å; E49-L79 WeakPolarHBondContact O-CD1 3.46Å; C50-L79 HydrophobicContact CB-CD1 3.96Å; F68-L79 HydrophobicContact CB-CB 4.42Å; F68-L79 HydrophobicContact CD2-CD2 4.22Å; F68-L79 HydrophobicContact CD2-CG 4.36Å; F68-L79 PolarHBondContact N-O 2.74Å; F68-L79 PolarHBondContact O-N 3.1Å
80Y91.7Very high90.7Very high27 Ų2761.4 Ų61.411%0.10630%0.304CS..EExtended strand (participates in β ladder)trans-145.2153.2-17958.5-83.2000114.1W48 E49 K51 C62 Y66 L78W48-Y80 WeakPolarHBondContact CA-O 3.46Å; E49-Y80 HydrophobicContact CB-CD2 4.41Å; E49-Y80 HydrophobicContact CB-CE1 4.1Å; E49-Y80 HydrophobicContact CB-CE2 3.81Å; E49-Y80 HydrophobicContact CG-CE2 4.36Å; E49-Y80 PolarHBondContact N-O 3.3Å; E49-Y80 PolarHBondContact O-N 3.17Å; E49-Y80 PolarHBondContact OE2-OH 3.24Å; K51-Y80 HydrophobicContact CD-CE1 4.4Å; K51-Y80 VanDerWaalsContact CE-OH 3.23Å; K51-Y80 WeakPolarHBondContact CE-OH 3.19Å; K51-Y80 PolarHBondContact NZ-OH 2.82Å; C62-Y80 WeakPolarHBondContact SG-CB 3.39Å; Y66-Y80 WeakPolarHBondContact O-CA 3Å; L78-Y80 HydrophobicContact CD1-CD1 4.33Å; L78-Y80 HydrophobicContact CD2-CD1 4.26Å; L78-Y80 HydrophobicContact CD2-CE1 4.23Å; L78-Y80 HydrophobicContact CG-CD1 3.9Å; L78-Y80 HydrophobicContact CG-CE1 4.26Å
81K90.5Very high90.6Very high69 Ų6964.7 Ų64.730%0.332%0.321SS..EExtended strand (participates in β ladder)trans-80.4121.3167.2-170.9169.5166.9156.20109.7S45 Y47 W48 Y66S45-K81 WeakPolarHBondContact O-CE 3.36Å; S45-K81 PolarHBondContact O-NZ 3.05Å; Y47-K81 CarbonylContact O-C 3.51Å; Y47-K81 WeakPolarHBondContact O-CA 3.28Å; W48-K81 HydrophobicContact CD2-CB 4.06Å; W48-K81 HydrophobicContact CE3-CB 4.08Å; W48-K81 HydrophobicContact CH2-CB 3.91Å; W48-K81 HydrophobicContact CZ2-CB 3.87Å; W48-K81 HydrophobicContact CZ2-CD 3.98Å; W48-K81 HydrophobicContact CZ2-CG 4.26Å; W48-K81 HydrophobicContact CZ3-CB 4.01Å; Y66-K81 PolarHBondContact O-N 2.99Å
82S84.5Confident90.3Very high29 Ų2957.8 Ų57.820%0.20329%0.294CS..EExtended strand (participates in β ladder)trans-92144.8174.6-167.80000109.3Y47 E49Y47-S82 PolarHBondContact O-N 3.24Å; E49-S82 WeakPolarHBondContact OE1-CB 3.3Å; E49-S82 PolarHBondContact OE1-OG 2.91Å
83N70.1Confident89.9Confident214 Ų21461.3 Ų61.3100%1.14431%0.312SS*.  trans-63.20-168.6-77.8-39.2000113.7

Retrieved 83 of 83 residues in 134.8 ms (Link to these results)

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