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SH3 domain-binding glutamic acid-rich-like protein 3

Could act as a modulator of glutaredoxin biological activity (By similarity). May play a role in cytoskeleton organization (By similarity).

AlphaFold DB , UniProt , Accession Q3ZCL8, Species BOVIN (Bos taurus, Bovine), Gene SH3BGRL3, Length 93 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
1M47.7Very low89.7Confident245 Ų24556.2 Ų56.2100%1.20733%0.33SS*.  0123.40-86.7-179.6166.300106.6G3M1-G3 PolarHBondContact O-N 3.42Å
2S65.5Low90.2Very high72 Ų7255.9 Ų55.950%0.50333%0.33SS..  trans-60.6116.7178.549.90000109.6L4S2-L4 PolarHBondContact O-N 3.5Å
3G90.7Very high90.6Very high30 Ų3057.9 Ų57.931%0.30937%0.37SS..  trans-94.939.517600000110.9M1 R5 N66 G67M1-G3 PolarHBondContact O-N 3.42Å; G3-R5 PolarHBondContact O-N 3.34Å; G3-N66 PolarHBondContact N-OD1 2.94Å; G3-G67 PolarHBondContact O-N 2.76Å
4L97.6Very high91.2Very high3 Ų356.7 Ų56.72%0.01636%0.364CS..EExtended strand (participates in β ladder)trans-66.3120.7-173.1-171.569.4000109.2S2 L28 I33 Y35 Q36 I64 V65 N66 L90S2-L4 PolarHBondContact O-N 3.5Å; L4-L28 HydrophobicContact CD2-CD2 4.38Å; L4-I33 HydrophobicContact CD2-CG2 3.57Å; L4-Y35 CarbonylContact O-C 3.56Å; L4-Y35 VanDerWaalsContact O-CA 3.28Å; L4-Y35 WeakPolarHBondContact O-CA 3.45Å; L4-Q36 PolarHBondContact O-N 3.42Å; L4-I64 HydrophobicContact CD1-CG2 3.74Å; L4-V65 CarbonylContact C-O 3.59Å; L4-V65 WeakPolarHBondContact CA-O 3.28Å; L4-V65 WeakPolarHBondContact CD1-O 3.34Å; L4-N66 HydrophobicContact CD1-CB 4.16Å; L4-L90 HydrophobicContact CD1-CB 4.41Å; L4-L90 HydrophobicContact CD1-CD2 3.81Å; L4-L90 HydrophobicContact CD2-CD1 4.24Å; L4-L90 HydrophobicContact CD2-CD2 4.19Å
5R97.9Very high91.6Very high50 Ų5067.9 Ų67.919%0.18940%0.396CS..EExtended strand (participates in β ladder)trans-123.9133.1178.7-72177-67.5160.84.6109.2G3 Y7 Q36 V38 E49 V65 G67G3-R5 PolarHBondContact O-N 3.34Å; R5-Y7 HydrophobicContact CB-CE2 4.44Å; R5-Y7 PolarHBondContact NH1-OH 3.31Å; R5-Y7 VanDerWaalsContact NH1-OH 3.15Å; R5-Q36 CarbonylContact C-O 3.59Å; R5-Q36 VanDerWaalsContact CA-O 3.27Å; R5-Q36 WeakPolarHBondContact CA-O 3.4Å; R5-Q36 HydrophobicContact CG-CB 4.05Å; R5-Q36 HydrophobicContact CG-CG 4.47Å; R5-V38 HydrophobicContact CB-CG2 4.14Å; R5-V38 HydrophobicContact CG-CG2 4.13Å; R5-E49 IonicContact CZ-OE1 3.62Å; R5-E49 IonicContact NH1-OE1 2.74Å; R5-E49 PolarHBondContact NH1-OE1 3.34Å; R5-E49 IonicContact NH2-OE1 3.7Å; R5-V65 HydrophobicContact CB-CG2 3.74Å; R5-V65 PolarHBondContact N-O 2.78Å; R5-V65 PolarHBondContact O-N 3.36Å; R5-G67 PolarHBondContact NH2-O 2.86Å
6V98.5Very high92Very high1 Ų171.8 Ų71.81%0.00641%0.409CS..EExtended strand (participates in β ladder)trans-109.6109171.1-177.30000106.9V24 L28 Y35 Q36 L37 V38 P62 I64V6-V24 HydrophobicContact CG1-CG1 4.09Å; V6-V24 HydrophobicContact CG2-CG1 4.4Å; V6-L28 HydrophobicContact CG2-CD1 3.67Å; V6-Y35 HydrophobicContact CB-CD2 4.22Å; V6-Y35 HydrophobicContact CG2-CD2 3.76Å; V6-Y35 HydrophobicContact CG2-CE2 4.42Å; V6-Y35 HydrophobicContact CG2-CG 4.12Å; V6-Q36 PolarHBondContact N-O 3.47Å; V6-L37 HydrophobicContact CB-CD1 4.23Å; V6-L37 HydrophobicContact CG1-CD1 4.31Å; V6-V38 PolarHBondContact O-N 3.44Å; V6-P62 HydrophobicContact CG1-CB 4.36Å; V6-I64 HydrophobicContact CG2-CG1 4.43Å
7Y98.5Very high92.4Very high0 Ų069.1 Ų69.10%039%0.393CS..EExtended strand (participates in β ladder)trans-74129.9170.4-65.2-94.5000108.9R5 V38 I40 E49 M50 L53 P62 Q63 V65R5-Y7 HydrophobicContact CB-CE2 4.44Å; R5-Y7 PolarHBondContact NH1-OH 3.31Å; R5-Y7 VanDerWaalsContact NH1-OH 3.15Å; Y7-V38 CarbonylContact C-O 3.53Å; Y7-V38 WeakPolarHBondContact CA-O 3.38Å; Y7-V38 HydrophobicContact CD1-CB 3.84Å; Y7-V38 HydrophobicContact CD1-CG1 3.63Å; Y7-V38 HydrophobicContact CE1-CB 4.1Å; Y7-V38 HydrophobicContact CE1-CG1 3.65Å; Y7-V38 HydrophobicContact CG-CB 4.36Å; Y7-I40 HydrophobicContact CD1-CG2 3.78Å; Y7-I40 HydrophobicContact CG-CG2 4.42Å; Y7-E49 VanDerWaalsContact OH-CD 3.31Å; Y7-E49 PolarHBondContact OH-OE1 2.97Å; Y7-M50 VanDerWaalsContact CB-SD 3.52Å; Y7-M50 HydrophobicContact CD1-CB 3.71Å; Y7-M50 HydrophobicContact CD1-CG 4.09Å; Y7-M50 HydrophobicContact CD2-CB 4.25Å; Y7-M50 HydrophobicContact CD2-CG 4Å; Y7-M50 HydrophobicContact CE1-CB 4.1Å; Y7-M50 HydrophobicContact CG-CB 3.8Å; Y7-M50 HydrophobicContact CG-CG 3.64Å; Y7-M50 HydrophobicContact CG-SD 4.17Å; Y7-L53 HydrophobicContact CE2-CD1 4.14Å; Y7-L53 WeakPolarHBondContact OH-CD1 3.13Å; Y7-P62 WeakPolarHBondContact O-CA 3.32Å; Y7-Q63 PolarHBondContact N-O 2.84Å; Y7-Q63 PolarHBondContact O-N 3.33Å; Y7-V65 HydrophobicContact CD2-CG1 4.47Å; Y7-V65 HydrophobicContact CD2-CG2 4.5Å; Y7-V65 HydrophobicContact CE2-CG1 4.03Å; Y7-V65 HydrophobicContact CE2-CG2 3.69Å
8S98.4Very high92.7Very high10 Ų1073 Ų737%0.0741%0.405CS..EExtended strand (participates in β ladder)trans-137.8170.8-174.466.50000109.3Q21 L37 V38 D39 I40S8-Q21 VanDerWaalsContact C-OE1 3.26Å; S8-L37 WeakPolarHBondContact OG-CD1 3.21Å; S8-L37 WeakPolarHBondContact OG-CG 3.29Å; S8-V38 PolarHBondContact N-O 2.92Å; S8-V38 PolarHBondContact OG-O 3.03Å; S8-V38 VanDerWaalsContact OG-O 3.12Å; S8-D39 CarbonylContact O-C 3.56Å; S8-D39 WeakPolarHBondContact O-CA 3.21Å; S8-I40 VanDerWaalsContact O-CG1 3.29Å; S8-I40 WeakPolarHBondContact O-CG1 3.4Å; S8-I40 PolarHBondContact O-N 3.01Å
9T98.3Very high93Very high18 Ų1872.7 Ų72.711%0.1141%0.408CS..  trans-134.8126.3169-175.30000109.1V11 T12 I17 Q21 D39 P61T9-V11 PolarHBondContact OG1-N 3.21Å; T9-V11 PolarHBondContact OG1-O 3.01Å; T9-T12 HydrophobicContact CG2-CG2 4.03Å; T9-I17 HydrophobicContact CG2-CG2 4.14Å; T9-Q21 PolarHBondContact O-OE1 3.46Å; T9-D39 WeakPolarHBondContact CA-OD1 3.29Å; T9-P61 HydrophobicContact CG2-CB 4.44Å; T9-P61 HydrophobicContact CG2-CG 4.04Å
10S97Very high93.3Very high83 Ų8370.6 Ų70.658%0.5840%0.395SS*.SBendtrans-76-18.517063.70000112.2D39 S41S10-D39 WeakPolarHBondContact CB-OD2 3.38Å; S10-D39 PolarHBondContact N-OD1 3.3Å; S10-D39 PolarHBondContact OG-OD2 2.86Å; S10-S41 PolarHBondContact OG-OG 3.3Å; S10-S41 VanDerWaalsContact OG-OG 3.1Å
11V96.2Very high93.5Very high106 Ų10668 Ų6864%0.64238%0.38SS*.  trans-109.5105179.4-176.20000109.9T9T9-V11 PolarHBondContact OG1-N 3.21Å; T9-V11 PolarHBondContact OG1-O 3.01Å
12T95.8Very high96Very high53 Ų5359.4 Ų59.433%0.32534%0.343SS..  trans-157.6141.8170.7-177.70000111.2T9 S14 I17 K18T9-T12 HydrophobicContact CG2-CG2 4.03Å; T12-S14 PolarHBondContact OG1-N 2.97Å; T12-S14 VanDerWaalsContact OG1-N 3.08Å; T12-I17 HydrophobicContact CG2-CG2 4.11Å; T12-K18 HydrophobicContact CG2-CB 4.41Å
13G96.2Very high97.5Very high82 Ų8259.5 Ų59.585%0.84534%0.336SS*.SBendtrans-87.4-10.7168.800000113.4R15G13-R15 PolarHBondContact O-N 2.72Å
14S97.9Very high97.9Very high41 Ų4158 Ų5829%0.28732%0.321SS..  trans-78.7117.4-179.9173.50000110.5T12 E16 I17 K18T12-S14 PolarHBondContact OG1-N 2.97Å; T12-S14 VanDerWaalsContact OG1-N 3.08Å; S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 3.34Å; S14-E16 PolarHBondContact OG-N 3.23Å; S14-I17 PolarHBondContact OG-N 3.35Å; S14-K18 PolarHBondContact O-N 3.31Å; S14-K18 VanDerWaalsContact O-N 3.16Å
15R97.8Very high98Very high225 Ų22559.2 Ų59.285%0.84933%0.329SS*.Hα-helixtrans-64-35.6174.3-66.6-176.6-179.3-175.40.5111.7G13 K18 S19G13-R15 PolarHBondContact O-N 2.72Å; R15-K18 PolarHBondContact O-N 2.84Å; R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.22Å
16E98.3Very high98Very high129 Ų12966.3 Ų66.360%0.60336%0.355SS*.Hα-helixtrans-63.6-54.1178.6179.4176.5-163.500111S14 K18 S19 Q20S14-E16 VanDerWaalsContact C-N 3.26Å; S14-E16 PolarHBondContact O-N 3.34Å; S14-E16 PolarHBondContact OG-N 3.23Å; E16-K18 PolarHBondContact O-N 3.05Å; E16-S19 WeakPolarHBondContact O-CB 3.48Å; E16-S19 PolarHBondContact O-N 3.19Å; E16-Q20 HydrophobicContact CG-CG 4.36Å; E16-Q20 WeakPolarHBondContact O-CG 3.48Å; E16-Q20 PolarHBondContact O-N 2.83Å; E16-Q20 PolarHBondContact OE1-NE2 2.93Å
17I98.3Very high98Very high26 Ų2668 Ų6813%0.13336%0.364CS..Hα-helixtrans-57-41.7177.3-69.3174.5000110.5T9 T12 S14 Q21 T60 P61T9-I17 HydrophobicContact CG2-CG2 4.14Å; T12-I17 HydrophobicContact CG2-CG2 4.11Å; S14-I17 PolarHBondContact OG-N 3.35Å; I17-Q21 HydrophobicContact CG2-CG 4.47Å; I17-Q21 VanDerWaalsContact CG2-NE2 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.45Å; I17-Q21 WeakPolarHBondContact O-CG 3.43Å; I17-Q21 PolarHBondContact O-N 2.88Å; I17-Q21 VanDerWaalsContact O-N 3.13Å; I17-Q21 PolarHBondContact O-NE2 3.01Å; I17-T60 HydrophobicContact CD1-CG2 4.36Å; I17-P61 HydrophobicContact CG2-CB 4.47Å; I17-P61 WeakPolarHBondContact CG2-O 3.33Å
18K98.2Very high98Very high140 Ų14068 Ų6861%0.60936%0.364SS*.Hα-helixtrans-62.6-43176.7-173.3174.6-178.1175.60112.3T12 S14 R15 E16 S22T12-K18 HydrophobicContact CG2-CB 4.41Å; S14-K18 PolarHBondContact O-N 3.31Å; S14-K18 VanDerWaalsContact O-N 3.16Å; R15-K18 PolarHBondContact O-N 2.84Å; E16-K18 PolarHBondContact O-N 3.05Å; K18-S22 WeakPolarHBondContact O-CB 3.49Å; K18-S22 PolarHBondContact O-N 3.05Å; K18-S22 PolarHBondContact O-OG 3.46Å
19S98.4Very high98Very high68 Ų6872.1 Ų72.148%0.47639%0.385SS..Hα-helixtrans-65.4-50.6179.3-165.70000111.3R15 E16 Q21 S22 E23R15-S19 WeakPolarHBondContact O-CB 3.32Å; R15-S19 PolarHBondContact O-N 3.22Å; E16-S19 WeakPolarHBondContact O-CB 3.48Å; E16-S19 PolarHBondContact O-N 3.19Å; S19-Q21 PolarHBondContact O-N 2.99Å; S19-S22 WeakPolarHBondContact O-CB 3.46Å; S19-S22 PolarHBondContact O-N 3.47Å; S19-S22 VanDerWaalsContact O-N 3.12Å; S19-E23 PolarHBondContact O-N 3.13Å
20Q98.7Very high97.9Very high29 Ų2974.4 Ų74.414%0.13641%0.413CS..Hα-helixtrans-58.4-45.1-178.8-71.2176.2-12.900112.1E16 S22 E23 V24 P62 Y74E16-Q20 HydrophobicContact CG-CG 4.36Å; E16-Q20 WeakPolarHBondContact O-CG 3.48Å; E16-Q20 PolarHBondContact O-N 2.83Å; E16-Q20 PolarHBondContact OE1-NE2 2.93Å; Q20-S22 PolarHBondContact O-N 3.21Å; Q20-E23 PolarHBondContact O-N 3.39Å; Q20-V24 WeakPolarHBondContact O-CG2 3.4Å; Q20-V24 PolarHBondContact O-N 3.18Å; Q20-P62 HydrophobicContact CB-CG 4.19Å; Q20-Y74 HydrophobicContact CB-CD1 4.31Å; Q20-Y74 HydrophobicContact CB-CD2 3.54Å; Q20-Y74 HydrophobicContact CB-CE2 3.93Å; Q20-Y74 HydrophobicContact CB-CG 3.74Å; Q20-Y74 HydrophobicContact CG-CD1 3.64Å; Q20-Y74 HydrophobicContact CG-CD2 3.75Å; Q20-Y74 HydrophobicContact CG-CE1 3.81Å; Q20-Y74 HydrophobicContact CG-CE2 3.91Å; Q20-Y74 HydrophobicContact CG-CG 3.6Å
21Q98.6Very high97.9Very high18 Ų1875.2 Ų75.28%0.08441%0.406CS..Hα-helixtrans-62.3-42.3176.1-68.4172.1101.400112.5S8 T9 I17 S19 E23 V24 T25 P61 P62S8-Q21 VanDerWaalsContact C-OE1 3.26Å; T9-Q21 PolarHBondContact O-OE1 3.46Å; I17-Q21 HydrophobicContact CG2-CG 4.47Å; I17-Q21 VanDerWaalsContact CG2-NE2 3.29Å; I17-Q21 WeakPolarHBondContact O-CB 3.45Å; I17-Q21 WeakPolarHBondContact O-CG 3.43Å; I17-Q21 PolarHBondContact O-N 2.88Å; I17-Q21 VanDerWaalsContact O-N 3.13Å; I17-Q21 PolarHBondContact O-NE2 3.01Å; S19-Q21 PolarHBondContact O-N 2.99Å; Q21-E23 VanDerWaalsContact C-N 3.27Å; Q21-E23 PolarHBondContact O-N 2.94Å; Q21-V24 PolarHBondContact O-N 3.45Å; Q21-T25 WeakPolarHBondContact O-CG2 3.35Å; Q21-T25 PolarHBondContact O-N 3.12Å; Q21-T25 VanDerWaalsContact O-N 3.11Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; Q21-P61 HydrophobicContact CG-CB 4.25Å; Q21-P62 HydrophobicContact CG-CB 3.95Å; Q21-P62 HydrophobicContact CG-CG 4.25Å
22S98.4Very high97.9Very high63 Ų6381 Ų8144%0.44142%0.416SS..Hα-helixtrans-66.2-33.5179.5-56.50000111.7K18 S19 Q20 T25 R26K18-S22 WeakPolarHBondContact O-CB 3.49Å; K18-S22 PolarHBondContact O-N 3.05Å; K18-S22 PolarHBondContact O-OG 3.46Å; S19-S22 WeakPolarHBondContact O-CB 3.46Å; S19-S22 PolarHBondContact O-N 3.47Å; S19-S22 VanDerWaalsContact O-N 3.12Å; Q20-S22 PolarHBondContact O-N 3.21Å; S22-T25 PolarHBondContact O-OG1 3.11Å; S22-R26 WeakPolarHBondContact O-CB 3.48Å; S22-R26 PolarHBondContact O-N 3.32Å
23E98.6Very high97.9Very high74 Ų7479.5 Ų79.535%0.34641%0.406SS..Hα-helixtrans-71.5-45.8176.9-176.9160.6-179.600112S19 Q20 Q21 T25 R26 I27 Y74S19-E23 PolarHBondContact O-N 3.13Å; Q20-E23 PolarHBondContact O-N 3.39Å; Q21-E23 VanDerWaalsContact C-N 3.27Å; Q21-E23 PolarHBondContact O-N 2.94Å; E23-T25 PolarHBondContact O-N 2.77Å; E23-R26 PolarHBondContact O-N 3.22Å; E23-I27 HydrophobicContact CG-CD1 3.82Å; E23-I27 WeakPolarHBondContact O-CG1 3.41Å; E23-I27 PolarHBondContact O-N 3.16Å; E23-Y74 HydrophobicContact CB-CE2 4.23Å; E23-Y74 VanDerWaalsContact CD-OH 3.32Å; E23-Y74 HydrophobicContact CG-CE2 4.24Å; E23-Y74 PolarHBondContact OE2-OH 3.1Å; E23-Y74 VanDerWaalsContact OE2-OH 3.05Å
24V98.8Very high97.9Very high0 Ų083.5 Ų83.50%040%0.402CS..Hα-helixtrans-55.9-52174.8170.20000111V6 Q20 Q21 R26 I27 L28 P62 I64 Y74 F77V6-V24 HydrophobicContact CG1-CG1 4.09Å; V6-V24 HydrophobicContact CG2-CG1 4.4Å; Q20-V24 WeakPolarHBondContact O-CG2 3.4Å; Q20-V24 PolarHBondContact O-N 3.18Å; Q21-V24 PolarHBondContact O-N 3.45Å; V24-R26 PolarHBondContact O-N 3.27Å; V24-I27 PolarHBondContact O-N 3.03Å; V24-L28 HydrophobicContact CG1-CD1 3.96Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.34Å; V24-P62 HydrophobicContact CG2-CB 4.2Å; V24-P62 HydrophobicContact CG2-CG 3.79Å; V24-I64 HydrophobicContact CG1-CD1 3.81Å; V24-I64 HydrophobicContact CG1-CG1 4.36Å; V24-Y74 HydrophobicContact CG2-CD2 3.95Å; V24-F77 HydrophobicContact CB-CE1 4.3Å; V24-F77 HydrophobicContact CG1-CE1 4.39Å; V24-F77 HydrophobicContact CG1-CE2 4.38Å; V24-F77 HydrophobicContact CG1-CZ 4.24Å; V24-F77 HydrophobicContact CG2-CD1 3.8Å; V24-F77 HydrophobicContact CG2-CE1 4.03Å; V24-F77 HydrophobicContact CG2-CG 4.26Å
25T98.4Very high97.9Very high28 Ų2884.4 Ų84.417%0.17240%0.4CS..Hα-helixtrans-63.9-43.3-179.555.30000111.6Q21 S22 E23 I27 L28 D29 Y35 L37Q21-T25 WeakPolarHBondContact O-CG2 3.35Å; Q21-T25 PolarHBondContact O-N 3.12Å; Q21-T25 VanDerWaalsContact O-N 3.11Å; Q21-T25 PolarHBondContact O-OG1 3.05Å; S22-T25 PolarHBondContact O-OG1 3.11Å; E23-T25 PolarHBondContact O-N 2.77Å; T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.49Å; T25-L28 PolarHBondContact O-N 2.95Å; T25-D29 WeakPolarHBondContact O-CB 3.33Å; T25-D29 PolarHBondContact O-N 2.95Å; T25-Y35 WeakPolarHBondContact CB-OH 3.34Å; T25-Y35 HydrophobicContact CG2-CE2 3.99Å; T25-L37 HydrophobicContact CG2-CD1 4.17Å
26R98.6Very high97.9Very high199 Ų19979.4 Ų79.475%0.75139%0.386SS*.Hα-helixtrans-57.5-42.3176.3178179.1177.8152.40.5112.6S22 E23 V24 G30S22-R26 WeakPolarHBondContact O-CB 3.48Å; S22-R26 PolarHBondContact O-N 3.32Å; E23-R26 PolarHBondContact O-N 3.22Å; V24-R26 PolarHBondContact O-N 3.27Å; R26-G30 PolarHBondContact O-N 3.27Å
27I98.5Very high97.8Very high37 Ų3777.9 Ų77.919%0.1938%0.381CS..Hα-helixtrans-69.6-44.5179.9-70.4166.1000110.7E23 V24 T25 G30 K31 F77 V81E23-I27 HydrophobicContact CG-CD1 3.82Å; E23-I27 WeakPolarHBondContact O-CG1 3.41Å; E23-I27 PolarHBondContact O-N 3.16Å; V24-I27 PolarHBondContact O-N 3.03Å; T25-I27 VanDerWaalsContact C-N 3.31Å; T25-I27 PolarHBondContact O-N 3.49Å; I27-G30 PolarHBondContact O-N 3.1Å; I27-K31 HydrophobicContact CG2-CD 4.32Å; I27-K31 PolarHBondContact O-N 3.12Å; I27-F77 HydrophobicContact CB-CE1 3.97Å; I27-F77 HydrophobicContact CB-CZ 3.93Å; I27-F77 HydrophobicContact CD1-CE1 3.83Å; I27-F77 HydrophobicContact CG1-CE1 4.5Å; I27-F77 HydrophobicContact CG2-CE1 3.96Å; I27-F77 HydrophobicContact CG2-CZ 3.69Å; I27-V81 HydrophobicContact CG2-CG2 3.91Å
28L98.2Very high97.8Very high0 Ų077.2 Ų77.20%038%0.379CS..Hα-helixtrans-61.1-46.1176.9-69175000111.6L4 V6 V24 T25 G30 K31 R32 I33 Y35 F77 L90L4-L28 HydrophobicContact CD2-CD2 4.38Å; V6-L28 HydrophobicContact CG2-CD1 3.67Å; V24-L28 HydrophobicContact CG1-CD1 3.96Å; V24-L28 WeakPolarHBondContact O-CG 3.34Å; V24-L28 PolarHBondContact O-N 3.34Å; T25-L28 PolarHBondContact O-N 2.95Å; L28-G30 PolarHBondContact O-N 3.12Å; L28-K31 CarbonylContact O-C 3.52Å; L28-K31 PolarHBondContact O-N 3.27Å; L28-R32 PolarHBondContact O-N 3.04Å; L28-I33 HydrophobicContact CD2-CB 4.08Å; L28-I33 HydrophobicContact CD2-CD1 4.03Å; L28-I33 HydrophobicContact CD2-CG2 4.04Å; L28-I33 PolarHBondContact O-N 3.28Å; L28-Y35 HydrophobicContact CB-CD1 3.78Å; L28-Y35 HydrophobicContact CB-CE1 3.56Å; L28-Y35 HydrophobicContact CD1-CD1 3.73Å; L28-Y35 HydrophobicContact CD1-CD2 4.45Å; L28-Y35 HydrophobicContact CD1-CE1 4.02Å; L28-Y35 HydrophobicContact CD1-CG 3.99Å; L28-Y35 HydrophobicContact CG-CD1 4.36Å; L28-Y35 HydrophobicContact CG-CE1 4.46Å; L28-F77 HydrophobicContact CD2-CE2 3.91Å; L28-F77 HydrophobicContact CD2-CZ 4.22Å; L28-F77 HydrophobicContact CG-CE2 4.19Å; L28-F77 HydrophobicContact CG-CZ 4.15Å; L28-L90 HydrophobicContact CD2-CD1 3.89Å; L28-L90 HydrophobicContact CD2-CD2 4.47Å
29D98Very high97.8Very high95 Ų9572 Ų7251%0.50836%0.358SS..Hα-helixtrans-61.1-45.1176.3-66.8-12.7000111.1T25 K31 R32 Y35T25-D29 WeakPolarHBondContact O-CB 3.33Å; T25-D29 PolarHBondContact O-N 2.95Å; D29-K31 PolarHBondContact O-N 3.01Å; D29-R32 PolarHBondContact O-N 3.17Å; D29-Y35 WeakPolarHBondContact OD1-CE1 3.43Å; D29-Y35 PolarHBondContact OD1-OH 3.38Å
30G97.9Very high97.8Very high67 Ų6769.1 Ų69.169%0.69134%0.337SS*.Hα-helixtrans-61.2-31.5177.500000113.4R26 I27 L28R26-G30 PolarHBondContact O-N 3.27Å; I27-G30 PolarHBondContact O-N 3.1Å; L28-G30 PolarHBondContact O-N 3.12Å
31K95.7Very high97.7Very high99 Ų9969.4 Ų69.443%0.4334%0.342SS..THydrogen-bonded Turntrans-91.12.4174.5-69.8179.6-178.8-82.70113.6I27 L28 D29 I33 L86I27-K31 HydrophobicContact CG2-CD 4.32Å; I27-K31 PolarHBondContact O-N 3.12Å; L28-K31 CarbonylContact O-C 3.52Å; L28-K31 PolarHBondContact O-N 3.27Å; D29-K31 PolarHBondContact O-N 3.01Å; K31-I33 HydrophobicContact CB-CD1 3.91Å; K31-I33 HydrophobicContact CB-CG1 3.99Å; K31-I33 HydrophobicContact CD-CD1 4.37Å; K31-I33 PolarHBondContact O-N 3Å; K31-L86 HydrophobicContact CD-CD2 3.31Å
32R95.9Very high97.5Very high229 Ų22975.2 Ų75.286%0.86437%0.369SS*.THydrogen-bonded Turntrans56.233.9-177.9-54.5-179.3179.6177.8-0.3113.5L28 D29L28-R32 PolarHBondContact O-N 3.04Å; D29-R32 PolarHBondContact O-N 3.17Å
33I96.2Very high97.4Very high21 Ų2176.3 Ų76.311%0.10837%0.37CS..  trans-85125.8176-62.6172.6000107.6L4 L28 K31 Y35 L86 L90 L92L4-I33 HydrophobicContact CD2-CG2 3.57Å; L28-I33 HydrophobicContact CD2-CB 4.08Å; L28-I33 HydrophobicContact CD2-CD1 4.03Å; L28-I33 HydrophobicContact CD2-CG2 4.04Å; L28-I33 PolarHBondContact O-N 3.28Å; K31-I33 HydrophobicContact CB-CD1 3.91Å; K31-I33 HydrophobicContact CB-CG1 3.99Å; K31-I33 HydrophobicContact CD-CD1 4.37Å; K31-I33 PolarHBondContact O-N 3Å; I33-Y35 WeakPolarHBondContact O-CD1 3.35Å; I33-L86 HydrophobicContact CD1-CD2 3.87Å; I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CG2-CD1 4.17Å; I33-L92 HydrophobicContact CG2-CD1 4.31Å
34Q96.2Very high97.2Very high165 Ų16577.6 Ų77.677%0.77138%0.379SS*.  trans-80.6134.1177-64.8-176.127.800110.4
35Y97.4Very high97.2Very high60 Ų6080.3 Ų80.324%0.23540%0.402CS..  trans-146158.2176.259.5-81.5000110.1L4 V6 T25 L28 D29 I33 L37L4-Y35 CarbonylContact O-C 3.56Å; L4-Y35 VanDerWaalsContact O-CA 3.28Å; L4-Y35 WeakPolarHBondContact O-CA 3.45Å; V6-Y35 HydrophobicContact CB-CD2 4.22Å; V6-Y35 HydrophobicContact CG2-CD2 3.76Å; V6-Y35 HydrophobicContact CG2-CE2 4.42Å; V6-Y35 HydrophobicContact CG2-CG 4.12Å; T25-Y35 WeakPolarHBondContact CB-OH 3.34Å; T25-Y35 HydrophobicContact CG2-CE2 3.99Å; L28-Y35 HydrophobicContact CB-CD1 3.78Å; L28-Y35 HydrophobicContact CB-CE1 3.56Å; L28-Y35 HydrophobicContact CD1-CD1 3.73Å; L28-Y35 HydrophobicContact CD1-CD2 4.45Å; L28-Y35 HydrophobicContact CD1-CE1 4.02Å; L28-Y35 HydrophobicContact CD1-CG 3.99Å; L28-Y35 HydrophobicContact CG-CD1 4.36Å; L28-Y35 HydrophobicContact CG-CE1 4.46Å; D29-Y35 WeakPolarHBondContact OD1-CE1 3.43Å; D29-Y35 PolarHBondContact OD1-OH 3.38Å; I33-Y35 WeakPolarHBondContact O-CD1 3.35Å; Y35-L37 HydrophobicContact CE2-CB 4.44Å; Y35-L37 HydrophobicContact CE2-CD1 4.48Å
36Q97.6Very high97.1Very high121 Ų12181.1 Ų81.157%0.56541%0.405SS*.EExtended strand (participates in β ladder)trans-96126.8166174.2-17511.400109L4 R5 V6 V38L4-Q36 PolarHBondContact O-N 3.42Å; R5-Q36 CarbonylContact C-O 3.59Å; R5-Q36 VanDerWaalsContact CA-O 3.27Å; R5-Q36 WeakPolarHBondContact CA-O 3.4Å; R5-Q36 HydrophobicContact CG-CB 4.05Å; R5-Q36 HydrophobicContact CG-CG 4.47Å; V6-Q36 PolarHBondContact N-O 3.47Å; Q36-V38 HydrophobicContact CG-CG2 4.08Å
37L97.7Very high97.1Very high96 Ų9674.9 Ų74.950%0.50338%0.381SS..EExtended strand (participates in β ladder)trans-82.7125.3169.6-168.368.9000109.2V6 S8 T25 Y35V6-L37 HydrophobicContact CB-CD1 4.23Å; V6-L37 HydrophobicContact CG1-CD1 4.31Å; S8-L37 WeakPolarHBondContact OG-CD1 3.21Å; S8-L37 WeakPolarHBondContact OG-CG 3.29Å; T25-L37 HydrophobicContact CG2-CD1 4.17Å; Y35-L37 HydrophobicContact CE2-CB 4.44Å; Y35-L37 HydrophobicContact CE2-CD1 4.48Å
38V97.9Very high97.1Very high12 Ų1277.6 Ų77.67%0.07340%0.396CS..EExtended strand (participates in β ladder)trans-114.2116.9179.6-177.40000108.5R5 V6 Y7 S8 Q36 L46R5-V38 HydrophobicContact CB-CG2 4.14Å; R5-V38 HydrophobicContact CG-CG2 4.13Å; V6-V38 PolarHBondContact O-N 3.44Å; Y7-V38 CarbonylContact C-O 3.53Å; Y7-V38 WeakPolarHBondContact CA-O 3.38Å; Y7-V38 HydrophobicContact CD1-CB 3.84Å; Y7-V38 HydrophobicContact CD1-CG1 3.63Å; Y7-V38 HydrophobicContact CE1-CB 4.1Å; Y7-V38 HydrophobicContact CE1-CG1 3.65Å; Y7-V38 HydrophobicContact CG-CB 4.36Å; S8-V38 PolarHBondContact N-O 2.92Å; S8-V38 PolarHBondContact OG-O 3.03Å; S8-V38 VanDerWaalsContact OG-O 3.12Å; Q36-V38 HydrophobicContact CG-CG2 4.08Å; V38-L46 HydrophobicContact CG1-CB 4.39Å; V38-L46 HydrophobicContact CG1-CD1 3.92Å; V38-L46 HydrophobicContact CG1-CD2 3.88Å; V38-L46 HydrophobicContact CG1-CG 4.29Å
39D98.2Very high97Very high31 Ų3180.9 Ų80.917%0.16641%0.411CS..EExtended strand (participates in β ladder)trans-93.9106.9-178.8-179.33.8000111.4S8 T9 S10 S41 Q42S8-D39 CarbonylContact O-C 3.56Å; S8-D39 WeakPolarHBondContact O-CA 3.21Å; T9-D39 WeakPolarHBondContact CA-OD1 3.29Å; S10-D39 WeakPolarHBondContact CB-OD2 3.38Å; S10-D39 PolarHBondContact N-OD1 3.3Å; S10-D39 PolarHBondContact OG-OD2 2.86Å; D39-S41 PolarHBondContact O-N 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.17Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 3.46Å; D39-S41 PolarHBondContact OD2-OG 2.99Å; D39-S41 VanDerWaalsContact OD2-OG 3.07Å; D39-Q42 HydrophobicContact CB-CG 3.88Å; D39-Q42 WeakPolarHBondContact O-CB 3.48Å; D39-Q42 PolarHBondContact O-N 3.4Å; D39-Q42 PolarHBondContact OD2-NE2 3.13Å
40I98.2Very high97Very high7 Ų776.4 Ų76.44%0.03639%0.388CS..THydrogen-bonded Turntrans-72.3-4.5-178.468.4155.6000114.1Y7 S8 Q42 L46 R47 M50 P61Y7-I40 HydrophobicContact CD1-CG2 3.78Å; Y7-I40 HydrophobicContact CG-CG2 4.42Å; S8-I40 VanDerWaalsContact O-CG1 3.29Å; S8-I40 WeakPolarHBondContact O-CG1 3.4Å; S8-I40 PolarHBondContact O-N 3.01Å; I40-Q42 VanDerWaalsContact C-N 3.33Å; I40-L46 HydrophobicContact CG2-CB 4.3Å; I40-R47 HydrophobicContact CB-CB 4.15Å; I40-R47 HydrophobicContact CD1-CB 4.27Å; I40-R47 HydrophobicContact CD1-CG 3.96Å; I40-R47 PolarHBondContact O-NH2 3.48Å; I40-R47 VanDerWaalsContact O-NH2 3.09Å; I40-M50 HydrophobicContact CD1-CE 4.05Å; I40-M50 HydrophobicContact CD1-SD 4.29Å; I40-M50 HydrophobicContact CG2-CB 4.43Å; I40-M50 HydrophobicContact CG2-SD 4.07Å; I40-P61 HydrophobicContact CD1-CG 3.54Å; I40-P61 HydrophobicContact CG1-CG 3.97Å
41S96.6Very high97Very high35 Ų3577 Ų7725%0.24537%0.369CS..THydrogen-bonded Turntrans-81.2-17.8172.369.90000112.6S10 D39S10-S41 PolarHBondContact OG-OG 3.3Å; S10-S41 VanDerWaalsContact OG-OG 3.1Å; D39-S41 PolarHBondContact O-N 3.22Å; D39-S41 WeakPolarHBondContact OD1-CB 3.17Å; D39-S41 PolarHBondContact OD1-N 3.24Å; D39-S41 PolarHBondContact OD1-OG 3.46Å; D39-S41 PolarHBondContact OD2-OG 2.99Å; D39-S41 VanDerWaalsContact OD2-OG 3.07Å
42Q95.3Very high97.1Very high141 Ų14175.9 Ų75.966%0.65938%0.378SS*.SBendtrans-77.6-32.4-178.5-56.8-58.4-35.900112.4D39 I40D39-Q42 HydrophobicContact CB-CG 3.88Å; D39-Q42 WeakPolarHBondContact O-CB 3.48Å; D39-Q42 PolarHBondContact O-N 3.4Å; D39-Q42 PolarHBondContact OD2-NE2 3.13Å; I40-Q42 VanDerWaalsContact C-N 3.33Å
43D95.9Very high97.2Very high85 Ų8567.1 Ų67.146%0.45535%0.348SS..  trans-149.9133.8-179.1-169.7-14.9000110.6A45 L46D43-A45 PolarHBondContact O-N 3.32Å; D43-A45 WeakPolarHBondContact OD1-CB 3.46Å; D43-A45 PolarHBondContact OD1-N 3.39Å; D43-L46 HydrophobicContact CB-CD1 4.07Å; D43-L46 HydrophobicContact CB-CG 4.07Å; D43-L46 PolarHBondContact O-N 3.39Å
44N94.7Very high97.3Very high101 Ų10167 Ų6754%0.5435%0.35SS..Hα-helixtrans-63.9-30.7175.1-70.4-35.6000112L46 R47 D48N44-L46 VanDerWaalsContact C-N 3.25Å; N44-L46 PolarHBondContact O-N 2.9Å; N44-R47 WeakPolarHBondContact O-CB 3.38Å; N44-R47 PolarHBondContact O-N 3.1Å; N44-R47 VanDerWaalsContact O-N 3.09Å; N44-R47 PolarHBondContact OD1-NH1 3.16Å; N44-D48 PolarHBondContact O-N 2.9Å
45A97.7Very high97.3Very high57 Ų5762.4 Ų62.447%0.47135%0.347SS..Hα-helixtrans-60.5-36.1176.600000112D43 R47 D48 E49D43-A45 PolarHBondContact O-N 3.32Å; D43-A45 WeakPolarHBondContact OD1-CB 3.46Å; D43-A45 PolarHBondContact OD1-N 3.39Å; A45-R47 VanDerWaalsContact C-N 3.34Å; A45-D48 PolarHBondContact O-N 3.13Å; A45-E49 WeakPolarHBondContact O-CB 3.33Å; A45-E49 PolarHBondContact O-N 2.85Å
46L97.5Very high97.3Very high46 Ų4663 Ų6324%0.24136%0.355CS..Hα-helixtrans-67.9-35.2176-64.2174000112.1V38 I40 D43 N44 M50V38-L46 HydrophobicContact CG1-CB 4.39Å; V38-L46 HydrophobicContact CG1-CD1 3.92Å; V38-L46 HydrophobicContact CG1-CD2 3.88Å; V38-L46 HydrophobicContact CG1-CG 4.29Å; I40-L46 HydrophobicContact CG2-CB 4.3Å; D43-L46 HydrophobicContact CB-CD1 4.07Å; D43-L46 HydrophobicContact CB-CG 4.07Å; D43-L46 PolarHBondContact O-N 3.39Å; N44-L46 VanDerWaalsContact C-N 3.25Å; N44-L46 PolarHBondContact O-N 2.9Å; L46-M50 WeakPolarHBondContact O-CB 3.41Å; L46-M50 PolarHBondContact O-N 3.43Å
47R97.5Very high97.3Very high67 Ų6762.1 Ų62.125%0.25336%0.359SS..Hα-helixtrans-65.8-42.4174.2-174.8-179.4-57.4121.912.3111.2I40 N44 A45 M50 R51I40-R47 HydrophobicContact CB-CB 4.15Å; I40-R47 HydrophobicContact CD1-CB 4.27Å; I40-R47 HydrophobicContact CD1-CG 3.96Å; I40-R47 PolarHBondContact O-NH2 3.48Å; I40-R47 VanDerWaalsContact O-NH2 3.09Å; N44-R47 WeakPolarHBondContact O-CB 3.38Å; N44-R47 PolarHBondContact O-N 3.1Å; N44-R47 VanDerWaalsContact O-N 3.09Å; N44-R47 PolarHBondContact OD1-NH1 3.16Å; A45-R47 VanDerWaalsContact C-N 3.34Å; R47-M50 PolarHBondContact O-N 2.91Å; R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 3.12Å; R47-R51 VanDerWaalsContact O-N 3.09Å
48D97.7Very high97.2Very high95 Ų9565.9 Ų65.951%0.50837%0.371SS..Hα-helixtrans-69.5-40.2179.6-66.7-21.9000111.1N44 A45 R51 A52N44-D48 PolarHBondContact O-N 2.9Å; A45-D48 PolarHBondContact O-N 3.13Å; D48-R51 PolarHBondContact O-N 2.91Å; D48-A52 WeakPolarHBondContact O-CB 3.28Å; D48-A52 PolarHBondContact O-N 3.41Å
49E97.3Very high97.2Very high68 Ų6865.6 Ų65.632%0.31837%0.37SS..Hα-helixtrans-57.8-50171.6-176-176.1150.100111.6R5 Y7 A45 R51 A52 L53R5-E49 IonicContact CZ-OE1 3.62Å; R5-E49 IonicContact NH1-OE1 2.74Å; R5-E49 PolarHBondContact NH1-OE1 3.34Å; R5-E49 IonicContact NH2-OE1 3.7Å; Y7-E49 VanDerWaalsContact OH-CD 3.31Å; Y7-E49 PolarHBondContact OH-OE1 2.97Å; A45-E49 WeakPolarHBondContact O-CB 3.33Å; A45-E49 PolarHBondContact O-N 2.85Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.83Å; E49-A52 PolarHBondContact O-N 3.04Å; E49-L53 HydrophobicContact CG-CD1 3.94Å; E49-L53 WeakPolarHBondContact O-CG 3.21Å; E49-L53 PolarHBondContact O-N 3.2Å
50M98Very high97.2Very high2 Ų267.6 Ų67.61%0.0138%0.384CS..Hα-helixtrans-55.3-46.3177-177.6-166.673.800111.8Y7 I40 L46 R47 A54 A59 P61 Q63Y7-M50 VanDerWaalsContact CB-SD 3.52Å; Y7-M50 HydrophobicContact CD1-CB 3.71Å; Y7-M50 HydrophobicContact CD1-CG 4.09Å; Y7-M50 HydrophobicContact CD2-CB 4.25Å; Y7-M50 HydrophobicContact CD2-CG 4Å; Y7-M50 HydrophobicContact CE1-CB 4.1Å; Y7-M50 HydrophobicContact CG-CB 3.8Å; Y7-M50 HydrophobicContact CG-CG 3.64Å; Y7-M50 HydrophobicContact CG-SD 4.17Å; I40-M50 HydrophobicContact CD1-CE 4.05Å; I40-M50 HydrophobicContact CD1-SD 4.29Å; I40-M50 HydrophobicContact CG2-CB 4.43Å; I40-M50 HydrophobicContact CG2-SD 4.07Å; L46-M50 WeakPolarHBondContact O-CB 3.41Å; L46-M50 PolarHBondContact O-N 3.43Å; R47-M50 PolarHBondContact O-N 2.91Å; M50-A54 VanDerWaalsContact O-CB 3.31Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 2.81Å; M50-A59 HydrophobicContact CE-CB 4.32Å; M50-A59 VanDerWaalsContact CE-O 3.27Å; M50-A59 WeakPolarHBondContact CE-O 3.5Å; M50-P61 HydrophobicContact CE-CG 4.49Å; M50-P61 HydrophobicContact SD-CG 4.07Å; M50-Q63 HydrophobicContact CE-CG 4.23Å; M50-Q63 HydrophobicContact CG-CB 3.62Å; M50-Q63 HydrophobicContact CG-CG 3.68Å; M50-Q63 HydrophobicContact SD-CB 3.89Å; M50-Q63 HydrophobicContact SD-CG 3.55Å; M50-Q63 VanDerWaalsContact SD-CG 3.55Å
51R98.2Very high97.2Very high80 Ų8067.6 Ų67.630%0.30238%0.384SS..Hα-helixtrans-68.8-36.4180-74.3168.2172.5175.8-8.2112.8R47 D48 E49 G55 N56 P57 A59R47-R51 WeakPolarHBondContact O-CG 3.27Å; R47-R51 PolarHBondContact O-N 3.12Å; R47-R51 VanDerWaalsContact O-N 3.09Å; D48-R51 PolarHBondContact O-N 2.91Å; E49-R51 VanDerWaalsContact C-N 3.32Å; E49-R51 PolarHBondContact O-N 2.83Å; R51-G55 PolarHBondContact O-N 3.22Å; R51-G55 VanDerWaalsContact O-N 3.08Å; R51-N56 WeakPolarHBondContact CB-O 3.48Å; R51-N56 PolarHBondContact O-N 2.88Å; R51-P57 VanDerWaalsContact CD-O 3.27Å; R51-P57 WeakPolarHBondContact CD-O 3.31Å; R51-P57 PolarHBondContact NE-O 3.08Å; R51-P57 VanDerWaalsContact NE-O 3.12Å; R51-A59 HydrophobicContact CG-CB 4.18Å
52A97.8Very high97.3Very high75 Ų7566 Ų6662%0.6237%0.373SS*.Hα-helixtrans-66.1-46175.700000111.1D48 E49 G55D48-A52 WeakPolarHBondContact O-CB 3.28Å; D48-A52 PolarHBondContact O-N 3.41Å; E49-A52 PolarHBondContact O-N 3.04Å; A52-G55 PolarHBondContact O-N 2.87Å; A52-G55 VanDerWaalsContact O-N 3.1Å
53L97.4Very high97.5Very high45 Ų4559.8 Ų59.824%0.23634%0.344CS..Hα-helixtrans-62.5-42.7175.8-70.4168000111.5Y7 E49 G55 V65 D68 Y70Y7-L53 HydrophobicContact CE2-CD1 4.14Å; Y7-L53 WeakPolarHBondContact OH-CD1 3.13Å; E49-L53 HydrophobicContact CG-CD1 3.94Å; E49-L53 WeakPolarHBondContact O-CG 3.21Å; E49-L53 PolarHBondContact O-N 3.2Å; L53-G55 PolarHBondContact O-N 3.3Å; L53-V65 HydrophobicContact CB-CG1 4.12Å; L53-V65 HydrophobicContact CD1-CG1 4Å; L53-V65 HydrophobicContact CD1-CG2 4.32Å; L53-D68 WeakPolarHBondContact CD2-O 3.49Å; L53-Y70 VanDerWaalsContact O-CB 3.23Å; L53-Y70 WeakPolarHBondContact O-CB 3.34Å
54A97.6Very high97.6Very high17 Ų1755.8 Ų55.814%0.1432%0.322CS..THydrogen-bonded Turntrans-70.1-10.8175.700000114M50 N56 A59 Y70M50-A54 VanDerWaalsContact O-CB 3.31Å; M50-A54 WeakPolarHBondContact O-CB 3.19Å; M50-A54 PolarHBondContact O-N 2.81Å; A54-N56 HydrophobicContact CB-CB 4.49Å; A54-N56 PolarHBondContact O-N 3.26Å; A54-N56 VanDerWaalsContact O-N 3.12Å; A54-A59 HydrophobicContact CB-CB 3.87Å; A54-Y70 HydrophobicContact CB-CD2 4.08Å; A54-Y70 HydrophobicContact CB-CE2 3.58Å
55G97.5Very high97.8Very high69 Ų6951 Ų5171%0.71130%0.297SS*.THydrogen-bonded Turntrans60.418.8-172.900000113.7R51 A52 L53R51-G55 PolarHBondContact O-N 3.22Å; R51-G55 VanDerWaalsContact O-N 3.08Å; A52-G55 PolarHBondContact O-N 2.87Å; A52-G55 VanDerWaalsContact O-N 3.1Å; L53-G55 PolarHBondContact O-N 3.3Å
56N97.6Very high97.7Very high74 Ų7449.2 Ų49.240%0.39628%0.28SS..  trans-134.9110.6-173.3177.61.4000110.6R51 A54 K58 A59R51-N56 WeakPolarHBondContact CB-O 3.48Å; R51-N56 PolarHBondContact O-N 2.88Å; A54-N56 HydrophobicContact CB-CB 4.49Å; A54-N56 PolarHBondContact O-N 3.26Å; A54-N56 VanDerWaalsContact O-N 3.12Å; N56-K58 PolarHBondContact O-N 3.19Å; N56-K58 PolarHBondContact OD1-N 2.82Å; N56-A59 HydrophobicContact CB-CB 4.17Å; N56-A59 WeakPolarHBondContact O-CB 3.28Å; N56-A59 PolarHBondContact O-N 2.98Å
57P96.7Very high97.6Very high102 Ų10248.4 Ų48.466%0.66228%0.282SS*.THydrogen-bonded Turntrans-66.3-12.5-178.328.1-35.5000113.8R51R51-P57 VanDerWaalsContact CD-O 3.27Å; R51-P57 WeakPolarHBondContact CD-O 3.31Å; R51-P57 PolarHBondContact NE-O 3.08Å; R51-P57 VanDerWaalsContact NE-O 3.12Å
58K96.7Very high97.3Very high175 Ų17551.4 Ų51.476%0.76130%0.303SS*.THydrogen-bonded Turntrans-106.36.6177.1-62.5-175.8-179179.10113N56 T60N56-K58 PolarHBondContact O-N 3.19Å; N56-K58 PolarHBondContact OD1-N 2.82Å; K58-T60 PolarHBondContact O-N 2.8Å
59A97.7Very high97.2Very high5 Ų551.6 Ų51.64%0.04130%0.301CS..  trans-53.8136178.600000111.2M50 R51 A54 N56 Q63M50-A59 HydrophobicContact CE-CB 4.32Å; M50-A59 VanDerWaalsContact CE-O 3.27Å; M50-A59 WeakPolarHBondContact CE-O 3.5Å; R51-A59 HydrophobicContact CG-CB 4.18Å; A54-A59 HydrophobicContact CB-CB 3.87Å; N56-A59 HydrophobicContact CB-CB 4.17Å; N56-A59 WeakPolarHBondContact O-CB 3.28Å; N56-A59 PolarHBondContact O-N 2.98Å; A59-Q63 HydrophobicContact CB-CG 4.42Å
60T97.7Very high97.2Very high74 Ų7451.1 Ų51.145%0.45430%0.297SS..  trans-120.1148.4176.951.10000110I17 K58 Q63I17-T60 HydrophobicContact CD1-CG2 4.36Å; K58-T60 PolarHBondContact O-N 2.8Å; T60-Q63 PolarHBondContact O-NE2 3.07Å
61P98.4Very high97.2Very high7 Ų751.8 Ų51.85%0.04530%0.302CS..SBendtrans-59.4152.8175.3-2434.5000113.4T9 I17 Q21 I40 M50T9-P61 HydrophobicContact CG2-CB 4.44Å; T9-P61 HydrophobicContact CG2-CG 4.04Å; I17-P61 HydrophobicContact CG2-CB 4.47Å; I17-P61 WeakPolarHBondContact CG2-O 3.33Å; Q21-P61 HydrophobicContact CG-CB 4.25Å; I40-P61 HydrophobicContact CD1-CG 3.54Å; I40-P61 HydrophobicContact CG1-CG 3.97Å; M50-P61 HydrophobicContact CE-CG 4.49Å; M50-P61 HydrophobicContact SD-CG 4.07Å
62P98.7Very high97.2Very high2 Ų248 Ų481%0.01329%0.287CS..  cis-77.4147.6-2.331.8-32.6000112.6V6 Y7 Q20 Q21 V24 Y74V6-P62 HydrophobicContact CG1-CB 4.36Å; Y7-P62 WeakPolarHBondContact O-CA 3.32Å; Q20-P62 HydrophobicContact CB-CG 4.19Å; Q21-P62 HydrophobicContact CG-CB 3.95Å; Q21-P62 HydrophobicContact CG-CG 4.25Å; V24-P62 HydrophobicContact CG2-CB 4.2Å; V24-P62 HydrophobicContact CG2-CG 3.79Å; P62-Y74 HydrophobicContact CG-CD2 4.43Å
63Q98.8Very high97.2Very high10 Ų1046.8 Ų46.85%0.04727%0.27CS..EExtended strand (participates in β ladder)trans-133.5130.7172.2-61.5-68.7-46.700108.6Y7 M50 A59 T60 Y70Y7-Q63 PolarHBondContact N-O 2.84Å; Y7-Q63 PolarHBondContact O-N 3.33Å; M50-Q63 HydrophobicContact CE-CG 4.23Å; M50-Q63 HydrophobicContact CG-CB 3.62Å; M50-Q63 HydrophobicContact CG-CG 3.68Å; M50-Q63 HydrophobicContact SD-CB 3.89Å; M50-Q63 HydrophobicContact SD-CG 3.55Å; M50-Q63 VanDerWaalsContact SD-CG 3.55Å; A59-Q63 HydrophobicContact CB-CG 4.42Å; T60-Q63 PolarHBondContact O-NE2 3.07Å; Q63-Y70 VanDerWaalsContact OE1-CE2 3.27Å; Q63-Y70 PolarHBondContact OE1-OH 3.25Å
64I98.8Very high97.3Very high0 Ų046.8 Ų46.80%027%0.267CS..EExtended strand (participates in β ladder)trans-113.9132-170.4-54.1170.6000109.3L4 V6 V24 C71 G72 F77 F89 L90L4-I64 HydrophobicContact CD1-CG2 3.74Å; V6-I64 HydrophobicContact CG2-CG1 4.43Å; V24-I64 HydrophobicContact CG1-CD1 3.81Å; V24-I64 HydrophobicContact CG1-CG1 4.36Å; I64-C71 HydrophobicContact CB-CB 4.2Å; I64-C71 HydrophobicContact CG2-CB 4.02Å; I64-C71 WeakPolarHBondContact O-CA 3.39Å; I64-C71 VanDerWaalsContact O-CB 3.31Å; I64-C71 WeakPolarHBondContact O-CB 3.29Å; I64-C71 PolarHBondContact O-N 2.98Å; I64-G72 PolarHBondContact N-O 3.07Å; I64-G72 PolarHBondContact O-N 2.92Å; I64-F77 HydrophobicContact CD1-CB 3.85Å; I64-F77 HydrophobicContact CD1-CD2 3.3Å; I64-F77 HydrophobicContact CD1-CE2 3.98Å; I64-F77 HydrophobicContact CD1-CG 3.74Å; I64-F89 HydrophobicContact CB-CE1 4.39Å; I64-F89 HydrophobicContact CD1-CE1 3.92Å; I64-F89 HydrophobicContact CD1-CZ 4.28Å; I64-F89 HydrophobicContact CG2-CE1 4.37Å; I64-L90 HydrophobicContact CG2-CD2 3.82Å
65V98.1Very high97.3Very high1 Ų152.8 Ų52.81%0.00629%0.293CS..EExtended strand (participates in β ladder)trans-137.1151.1176.4-49.80000110L4 R5 Y7 L53 Q69 Y70L4-V65 CarbonylContact C-O 3.59Å; L4-V65 WeakPolarHBondContact CA-O 3.28Å; L4-V65 WeakPolarHBondContact CD1-O 3.34Å; R5-V65 HydrophobicContact CB-CG2 3.74Å; R5-V65 PolarHBondContact N-O 2.78Å; R5-V65 PolarHBondContact O-N 3.36Å; Y7-V65 HydrophobicContact CD2-CG1 4.47Å; Y7-V65 HydrophobicContact CD2-CG2 4.5Å; Y7-V65 HydrophobicContact CE2-CG1 4.03Å; Y7-V65 HydrophobicContact CE2-CG2 3.69Å; L53-V65 HydrophobicContact CB-CG1 4.12Å; L53-V65 HydrophobicContact CD1-CG1 4Å; L53-V65 HydrophobicContact CD1-CG2 4.32Å; V65-Q69 CarbonylContact C-O 3.55Å; V65-Q69 VanDerWaalsContact CA-O 3.28Å; V65-Q69 WeakPolarHBondContact CA-O 3.38Å; V65-Q69 WeakPolarHBondContact CB-O 3.44Å; V65-Y70 HydrophobicContact CG1-CD2 3.96Å
66N97.1Very high97.4Very high20 Ų2053 Ų5311%0.10728%0.277CS..EExtended strand (participates in β ladder)trans-121.2109.5169.9-1751.2000109.4G3 L4 D68 Q69 L90 K91G3-N66 PolarHBondContact N-OD1 2.94Å; L4-N66 HydrophobicContact CD1-CB 4.16Å; N66-D68 PolarHBondContact O-N 3.26Å; N66-Q69 PolarHBondContact N-O 2.89Å; N66-Q69 WeakPolarHBondContact O-CB 3.46Å; N66-Q69 PolarHBondContact O-N 3.06Å; N66-Q69 VanDerWaalsContact O-N 3.07Å; N66-L90 WeakPolarHBondContact CB-O 3.38Å; N66-L90 PolarHBondContact ND2-O 2.78Å; N66-K91 PolarHBondContact ND2-O 2.81Å
67G93.6Very high97.4Very high29 Ų2949.5 Ų49.530%0.29926%0.258SS..THydrogen-bonded Turntrans65.5-124.4-169.800000110.7G3 R5G3-G67 PolarHBondContact O-N 2.76Å; R5-G67 PolarHBondContact NH2-O 2.86Å
68D91.7Very high97.5Very high130 Ų13046 Ų4670%0.69524%0.235SC*.THydrogen-bonded Turntrans-89.6-2.1174.261.7-14.8000113.1L53 N66L53-D68 WeakPolarHBondContact CD2-O 3.49Å; N66-D68 PolarHBondContact O-N 3.26Å
69Q95.1Very high97.6Very high99 Ų9942.9 Ų42.946%0.46322%0.223SC..EExtended strand (participates in β ladder)trans-97.5121.5-174.1-53.8-168.130.700111.4V65 N66 K91V65-Q69 CarbonylContact C-O 3.55Å; V65-Q69 VanDerWaalsContact CA-O 3.28Å; V65-Q69 WeakPolarHBondContact CA-O 3.38Å; V65-Q69 WeakPolarHBondContact CB-O 3.44Å; N66-Q69 PolarHBondContact N-O 2.89Å; N66-Q69 WeakPolarHBondContact O-CB 3.46Å; N66-Q69 PolarHBondContact O-N 3.06Å; N66-Q69 VanDerWaalsContact O-N 3.07Å; Q69-K91 HydrophobicContact CB-CD 3.83Å; Q69-K91 VanDerWaalsContact OE1-CD 3.28Å
70Y97.7Very high97.7Very high58 Ų5842.9 Ų42.923%0.22722%0.223CC..EExtended strand (participates in β ladder)trans-66.2132.9170.7-176.8-109.8000111.4L53 A54 Q63 V65 G72 D73 K91L53-Y70 VanDerWaalsContact O-CB 3.23Å; L53-Y70 WeakPolarHBondContact O-CB 3.34Å; A54-Y70 HydrophobicContact CB-CD2 4.08Å; A54-Y70 HydrophobicContact CB-CE2 3.58Å; Q63-Y70 VanDerWaalsContact OE1-CE2 3.27Å; Q63-Y70 PolarHBondContact OE1-OH 3.25Å; V65-Y70 HydrophobicContact CG1-CD2 3.96Å; Y70-G72 VanDerWaalsContact CZ-CA 3.44Å; Y70-G72 VanDerWaalsContact OH-C 3.24Å; Y70-G72 WeakPolarHBondContact OH-CA 3.48Å; Y70-D73 PolarHBondContact OH-N 2.64Å; Y70-K91 WeakPolarHBondContact O-CE 3.47Å; Y70-K91 PolarHBondContact O-NZ 2.87Å
71C98.2Very high97.7Very high16 Ų1641.2 Ų41.211%0.10821%0.213CC..EExtended strand (participates in β ladder)trans-98.8-52.6176.7-65.60000110.5I64 F89I64-C71 HydrophobicContact CB-CB 4.2Å; I64-C71 HydrophobicContact CG2-CB 4.02Å; I64-C71 WeakPolarHBondContact O-CA 3.39Å; I64-C71 VanDerWaalsContact O-CB 3.31Å; I64-C71 WeakPolarHBondContact O-CB 3.29Å; I64-C71 PolarHBondContact O-N 2.98Å; C71-F89 HydrophobicContact CB-CD1 4.34Å; C71-F89 HydrophobicContact CB-CE1 3.85Å; C71-F89 HydrophobicContact CB-CE2 4.37Å; C71-F89 HydrophobicContact CB-CZ 3.89Å; C71-F89 VanDerWaalsContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact CB-O 3.36Å; C71-F89 WeakPolarHBondContact O-CE2 3.33Å; C71-F89 PolarHBondContact SG-O 3.32Å
72G98.5Very high97.7Very high0 Ų047.7 Ų47.70%024%0.243CC..EExtended strand (participates in β ladder)trans160178.9-178.800000113.7I64 Y70I64-G72 PolarHBondContact N-O 3.07Å; I64-G72 PolarHBondContact O-N 2.92Å; Y70-G72 VanDerWaalsContact CZ-CA 3.44Å; Y70-G72 VanDerWaalsContact OH-C 3.24Å; Y70-G72 WeakPolarHBondContact OH-CA 3.48Å
73D98.6Very high97.6Very high49 Ų4953.6 Ų53.626%0.26227%0.27SS..EExtended strand (participates in β ladder)trans-92.4-166.2173.960.919000111Y70 E75 L76 F77Y70-D73 PolarHBondContact OH-N 2.64Å; D73-E75 PolarHBondContact OD1-N 2.6Å; D73-E75 VanDerWaalsContact OD1-N 3.12Å; D73-L76 PolarHBondContact OD1-N 3.21Å; D73-L76 VanDerWaalsContact OD1-N 3.12Å; D73-F77 VanDerWaalsContact O-CB 3.29Å; D73-F77 WeakPolarHBondContact O-CB 3.32Å; D73-F77 PolarHBondContact O-N 3.4Å; D73-F77 VanDerWaalsContact O-N 3.1Å
74Y98.6Very high97.5Very high45 Ų4559.5 Ų59.518%0.17630%0.302CS..Hα-helixtrans-59.4-45.8177.5174.9-102.3000113.5Q20 E23 V24 P62 F77 V78Q20-Y74 HydrophobicContact CB-CD1 4.31Å; Q20-Y74 HydrophobicContact CB-CD2 3.54Å; Q20-Y74 HydrophobicContact CB-CE2 3.93Å; Q20-Y74 HydrophobicContact CB-CG 3.74Å; Q20-Y74 HydrophobicContact CG-CD1 3.64Å; Q20-Y74 HydrophobicContact CG-CD2 3.75Å; Q20-Y74 HydrophobicContact CG-CE1 3.81Å; Q20-Y74 HydrophobicContact CG-CE2 3.91Å; Q20-Y74 HydrophobicContact CG-CG 3.6Å; E23-Y74 HydrophobicContact CB-CE2 4.23Å; E23-Y74 VanDerWaalsContact CD-OH 3.32Å; E23-Y74 HydrophobicContact CG-CE2 4.24Å; E23-Y74 PolarHBondContact OE2-OH 3.1Å; E23-Y74 VanDerWaalsContact OE2-OH 3.05Å; V24-Y74 HydrophobicContact CG2-CD2 3.95Å; P62-Y74 HydrophobicContact CG-CD2 4.43Å; Y74-F77 WeakPolarHBondContact O-CB 3.36Å; Y74-F77 PolarHBondContact O-N 2.79Å; Y74-V78 HydrophobicContact CD1-CG2 4.45Å; Y74-V78 HydrophobicContact CD2-CG2 4.12Å; Y74-V78 HydrophobicContact CE1-CG2 3.94Å; Y74-V78 HydrophobicContact CE2-CG2 3.58Å; Y74-V78 VanDerWaalsContact CZ-CG2 3.48Å; Y74-V78 WeakPolarHBondContact O-CG2 3.23Å; Y74-V78 PolarHBondContact O-N 2.96Å
75E98.4Very high97.5Very high143 Ų14362 Ų6267%0.66832%0.317SS*.Hα-helixtrans-65.7-47.3-173.8-67.1-178.4177.500110.4D73 F77 V78 E79D73-E75 PolarHBondContact OD1-N 2.6Å; D73-E75 VanDerWaalsContact OD1-N 3.12Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 2.75Å; E75-V78 PolarHBondContact O-N 3.09Å; E75-E79 PolarHBondContact O-N 2.98Å
76L98.6Very high97.5Very high75 Ų7562.3 Ų62.339%0.39332%0.319SS..Hα-helixtrans-63.6-35.4176.6-64.5172.6000112.2D73 A80 F89D73-L76 PolarHBondContact OD1-N 3.21Å; D73-L76 VanDerWaalsContact OD1-N 3.12Å; L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 3.15Å; L76-F89 HydrophobicContact CB-CD2 4.43Å; L76-F89 HydrophobicContact CB-CE2 3.64Å; L76-F89 HydrophobicContact CB-CZ 4.41Å
77F98.8Very high97.4Very high0 Ų066.9 Ų66.90%034%0.339CS..Hα-helixtrans-64.8-47175.6175.7-94.3000111.9V24 I27 L28 I64 D73 Y74 E75 A80 V81 L86 F89V24-F77 HydrophobicContact CB-CE1 4.3Å; V24-F77 HydrophobicContact CG1-CE1 4.39Å; V24-F77 HydrophobicContact CG1-CE2 4.38Å; V24-F77 HydrophobicContact CG1-CZ 4.24Å; V24-F77 HydrophobicContact CG2-CD1 3.8Å; V24-F77 HydrophobicContact CG2-CE1 4.03Å; V24-F77 HydrophobicContact CG2-CG 4.26Å; I27-F77 HydrophobicContact CB-CE1 3.97Å; I27-F77 HydrophobicContact CB-CZ 3.93Å; I27-F77 HydrophobicContact CD1-CE1 3.83Å; I27-F77 HydrophobicContact CG1-CE1 4.5Å; I27-F77 HydrophobicContact CG2-CE1 3.96Å; I27-F77 HydrophobicContact CG2-CZ 3.69Å; L28-F77 HydrophobicContact CD2-CE2 3.91Å; L28-F77 HydrophobicContact CD2-CZ 4.22Å; L28-F77 HydrophobicContact CG-CE2 4.19Å; L28-F77 HydrophobicContact CG-CZ 4.15Å; I64-F77 HydrophobicContact CD1-CB 3.85Å; I64-F77 HydrophobicContact CD1-CD2 3.3Å; I64-F77 HydrophobicContact CD1-CE2 3.98Å; I64-F77 HydrophobicContact CD1-CG 3.74Å; D73-F77 VanDerWaalsContact O-CB 3.29Å; D73-F77 WeakPolarHBondContact O-CB 3.32Å; D73-F77 PolarHBondContact O-N 3.4Å; D73-F77 VanDerWaalsContact O-N 3.1Å; Y74-F77 WeakPolarHBondContact O-CB 3.36Å; Y74-F77 PolarHBondContact O-N 2.79Å; E75-F77 VanDerWaalsContact C-N 3.28Å; E75-F77 PolarHBondContact O-N 2.75Å; F77-A80 PolarHBondContact O-N 2.74Å; F77-V81 HydrophobicContact CD1-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.9Å; F77-V81 HydrophobicContact CZ-CG2 4.11Å; F77-V81 WeakPolarHBondContact O-CG2 3.38Å; F77-V81 PolarHBondContact O-N 2.92Å; F77-L86 HydrophobicContact CD2-CD1 3.77Å; F77-L86 HydrophobicContact CE2-CD1 3.48Å; F77-L86 VanDerWaalsContact CE2-CD1 3.48Å; F77-L86 HydrophobicContact CZ-CD1 4.23Å; F77-F89 HydrophobicContact CB-CE1 4.02Å; F77-F89 HydrophobicContact CB-CZ 3.94Å; F77-F89 HydrophobicContact CD2-CD1 4.18Å; F77-F89 AromaticContact CD2-CE1 3.72Å; F77-F89 HydrophobicContact CD2-CE1 3.72Å; F77-F89 HydrophobicContact CD2-CZ 4.48Å; F77-F89 HydrophobicContact CG-CE1 4.37Å
78V98.3Very high97.6Very high28 Ų2872.5 Ų72.517%0.1736%0.358CS..Hα-helixtrans-63.8-44.3178.5171.50000110.6Y74 E75 A80 V81 E82Y74-V78 HydrophobicContact CD1-CG2 4.45Å; Y74-V78 HydrophobicContact CD2-CG2 4.12Å; Y74-V78 HydrophobicContact CE1-CG2 3.94Å; Y74-V78 HydrophobicContact CE2-CG2 3.58Å; Y74-V78 VanDerWaalsContact CZ-CG2 3.48Å; Y74-V78 WeakPolarHBondContact O-CG2 3.23Å; Y74-V78 PolarHBondContact O-N 2.96Å; E75-V78 PolarHBondContact O-N 3.09Å; V78-A80 VanDerWaalsContact C-N 3.3Å; V78-A80 PolarHBondContact O-N 2.97Å; V78-V81 WeakPolarHBondContact O-CB 3.31Å; V78-V81 PolarHBondContact O-N 3.2Å; V78-E82 HydrophobicContact CG1-CG 4.24Å; V78-E82 WeakPolarHBondContact O-CG 3.46Å; V78-E82 PolarHBondContact O-N 3.09Å
79E98.6Very high97.9Very high109 Ų10967.6 Ų67.651%0.50933%0.331SS..Hα-helixtrans-55.3-46.5174.3-175.8178.7-173.400111E75 V81 E82 Q83E75-E79 PolarHBondContact O-N 2.98Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.49Å; E79-E82 PolarHBondContact O-N 2.63Å; E79-Q83 HydrophobicContact CG-CG 4.23Å; E79-Q83 WeakPolarHBondContact O-CB 3.27Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.27Å; E79-Q83 PolarHBondContact O-N 3.12Å
80A98.6Very high98Very high5 Ų562.9 Ų62.94%0.04131%0.309CS..Hα-helixtrans-65.1-30.8177.700000113.6L76 F77 V78 N84 T85 L86 F89L76-A80 WeakPolarHBondContact O-CB 3.45Å; L76-A80 PolarHBondContact O-N 3.15Å; F77-A80 PolarHBondContact O-N 2.74Å; V78-A80 VanDerWaalsContact C-N 3.3Å; V78-A80 PolarHBondContact O-N 2.97Å; A80-N84 CarbonylContact O-C 3.58Å; A80-N84 PolarHBondContact O-N 2.77Å; A80-T85 WeakPolarHBondContact CA-OG1 3.37Å; A80-T85 CarbonylContact O-C 3.47Å; A80-T85 PolarHBondContact O-N 3.26Å; A80-T85 PolarHBondContact O-OG1 3.39Å; A80-L86 PolarHBondContact O-N 3.03Å; A80-L86 VanDerWaalsContact O-N 3.13Å; A80-F89 HydrophobicContact CB-CB 3.44Å; A80-F89 VanDerWaalsContact CB-CB 3.44Å; A80-F89 HydrophobicContact CB-CD1 4.4Å; A80-F89 HydrophobicContact CB-CD2 4.02Å; A80-F89 HydrophobicContact CB-CG 3.69Å
81V98.3Very high97.9Very high40 Ų4064 Ų6424%0.24231%0.314CS..Hα-helixtrans-69-46.7172.9172.50000110.5I27 F77 V78 E79 N84 L86I27-V81 HydrophobicContact CG2-CG2 3.91Å; F77-V81 HydrophobicContact CD1-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.9Å; F77-V81 HydrophobicContact CZ-CG2 4.11Å; F77-V81 WeakPolarHBondContact O-CG2 3.38Å; F77-V81 PolarHBondContact O-N 2.92Å; V78-V81 WeakPolarHBondContact O-CB 3.31Å; V78-V81 PolarHBondContact O-N 3.2Å; E79-V81 VanDerWaalsContact C-N 3.29Å; E79-V81 PolarHBondContact O-N 3.49Å; V81-N84 PolarHBondContact O-N 3.06Å; V81-L86 HydrophobicContact CG2-CD1 4.1Å; V81-L86 HydrophobicContact CG2-CD2 4.3Å
82E97.9Very high97.6Very high143 Ų14365.9 Ų65.967%0.66832%0.323SS*.Hα-helixtrans-65.3-39.4-179.7-70.8-178.6170.200112.4V78 E79 N84V78-E82 HydrophobicContact CG1-CG 4.24Å; V78-E82 WeakPolarHBondContact O-CG 3.46Å; V78-E82 PolarHBondContact O-N 3.09Å; E79-E82 PolarHBondContact O-N 2.63Å; E82-N84 PolarHBondContact O-N 3.12Å
83Q98.2Very high96.7Very high126 Ų12673.7 Ų73.759%0.58939%0.388SS*.THydrogen-bonded Turntrans-820.1176.6-60.1-54-40.700113.2E79 T85E79-Q83 HydrophobicContact CG-CG 4.23Å; E79-Q83 WeakPolarHBondContact O-CB 3.27Å; E79-Q83 VanDerWaalsContact O-CG 3.29Å; E79-Q83 WeakPolarHBondContact O-CG 3.27Å; E79-Q83 PolarHBondContact O-N 3.12Å; Q83-T85 HydrophobicContact CB-CG2 4.28Å; Q83-T85 PolarHBondContact O-N 3.06Å
84N96.8Very high96.6Very high134 Ų13475 Ų7572%0.71739%0.394SS*.THydrogen-bonded Turntrans56.729.7-176.7-166.750.9000113.9A80 V81 E82A80-N84 CarbonylContact O-C 3.58Å; A80-N84 PolarHBondContact O-N 2.77Å; V81-N84 PolarHBondContact O-N 3.06Å; E82-N84 PolarHBondContact O-N 3.12Å
85T97.6Very high96.4Very high52 Ų5276.5 Ų76.532%0.31941%0.406SS..  trans-105.917.7178.453.80000112.6A80 Q83 Q87 E88 F89A80-T85 WeakPolarHBondContact CA-OG1 3.37Å; A80-T85 CarbonylContact O-C 3.47Å; A80-T85 PolarHBondContact O-N 3.26Å; A80-T85 PolarHBondContact O-OG1 3.39Å; Q83-T85 HydrophobicContact CB-CG2 4.28Å; Q83-T85 PolarHBondContact O-N 3.06Å; T85-Q87 VanDerWaalsContact C-N 3.29Å; T85-Q87 PolarHBondContact O-N 3.08Å; T85-Q87 VanDerWaalsContact O-N 3.17Å; T85-E88 WeakPolarHBondContact O-CB 3.45Å; T85-E88 PolarHBondContact O-N 3.1Å; T85-F89 PolarHBondContact O-N 3.26Å
86L97.4Very high96.3Very high8 Ų872.8 Ų72.84%0.04239%0.391CS..Hα-helixtrans-54.8-38.8-175.6-177.964.6000114.2K31 I33 F77 A80 V81 E88 F89 L90K31-L86 HydrophobicContact CD-CD2 3.31Å; I33-L86 HydrophobicContact CD1-CD2 3.87Å; F77-L86 HydrophobicContact CD2-CD1 3.77Å; F77-L86 HydrophobicContact CE2-CD1 3.48Å; F77-L86 VanDerWaalsContact CE2-CD1 3.48Å; F77-L86 HydrophobicContact CZ-CD1 4.23Å; A80-L86 PolarHBondContact O-N 3.03Å; A80-L86 VanDerWaalsContact O-N 3.13Å; V81-L86 HydrophobicContact CG2-CD1 4.1Å; V81-L86 HydrophobicContact CG2-CD2 4.3Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 2.88Å; L86-F89 HydrophobicContact CD1-CD1 4.12Å; L86-F89 PolarHBondContact O-N 3.36Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CD2 4.24Å; L86-L90 HydrophobicContact CD1-CG 3.79Å; L86-L90 HydrophobicContact CD2-CD1 4.25Å; L86-L90 HydrophobicContact CG-CD1 3.74Å; L86-L90 HydrophobicContact CG-CG 4.1Å; L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.09Å
87Q95.9Very high96.2Very high115 Ų11572.7 Ų72.754%0.53739%0.391SS..Hα-helixtrans-62.9-39179.1-70-76-7.400112T85 K91 L92T85-Q87 VanDerWaalsContact C-N 3.29Å; T85-Q87 PolarHBondContact O-N 3.08Å; T85-Q87 VanDerWaalsContact O-N 3.17Å; Q87-K91 PolarHBondContact O-N 3.32Å; Q87-K91 VanDerWaalsContact O-N 3.13Å; Q87-L92 PolarHBondContact O-N 3.23Å; Q87-L92 VanDerWaalsContact O-N 3.1Å; Q87-L92 VanDerWaalsContact OE1-CB 3.29Å
88E96.9Very high96Very high147 Ų14777.3 Ų77.369%0.68742%0.415SS*.Hα-helixtrans-70.3-45.5177.4-61.3174.8177.900110.4T85 L86 L90 K91T85-E88 WeakPolarHBondContact O-CB 3.45Å; T85-E88 PolarHBondContact O-N 3.1Å; L86-E88 VanDerWaalsContact C-N 3.3Å; L86-E88 PolarHBondContact O-N 2.88Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.91Å; E88-K91 PolarHBondContact O-N 3.33Å
89F98Very high95.9Very high28 Ų2880.5 Ų80.512%0.12343%0.432CS..Hα-helixtrans-55.9-45.8174.3171.2-90.9000112.3I64 C71 L76 F77 A80 T85 L86 K91I64-F89 HydrophobicContact CB-CE1 4.39Å; I64-F89 HydrophobicContact CD1-CE1 3.92Å; I64-F89 HydrophobicContact CD1-CZ 4.28Å; I64-F89 HydrophobicContact CG2-CE1 4.37Å; C71-F89 HydrophobicContact CB-CD1 4.34Å; C71-F89 HydrophobicContact CB-CE1 3.85Å; C71-F89 HydrophobicContact CB-CE2 4.37Å; C71-F89 HydrophobicContact CB-CZ 3.89Å; C71-F89 VanDerWaalsContact CB-O 3.28Å; C71-F89 WeakPolarHBondContact CB-O 3.36Å; C71-F89 WeakPolarHBondContact O-CE2 3.33Å; C71-F89 PolarHBondContact SG-O 3.32Å; L76-F89 HydrophobicContact CB-CD2 4.43Å; L76-F89 HydrophobicContact CB-CE2 3.64Å; L76-F89 HydrophobicContact CB-CZ 4.41Å; F77-F89 HydrophobicContact CB-CE1 4.02Å; F77-F89 HydrophobicContact CB-CZ 3.94Å; F77-F89 HydrophobicContact CD2-CD1 4.18Å; F77-F89 AromaticContact CD2-CE1 3.72Å; F77-F89 HydrophobicContact CD2-CE1 3.72Å; F77-F89 HydrophobicContact CD2-CZ 4.48Å; F77-F89 HydrophobicContact CG-CE1 4.37Å; A80-F89 HydrophobicContact CB-CB 3.44Å; A80-F89 VanDerWaalsContact CB-CB 3.44Å; A80-F89 HydrophobicContact CB-CD1 4.4Å; A80-F89 HydrophobicContact CB-CD2 4.02Å; A80-F89 HydrophobicContact CB-CG 3.69Å; T85-F89 PolarHBondContact O-N 3.26Å; L86-F89 HydrophobicContact CD1-CD1 4.12Å; L86-F89 PolarHBondContact O-N 3.36Å; F89-K91 PolarHBondContact O-N 2.87Å
90L97.8Very high95.7Very high0 Ų078.5 Ų78.50%043%0.426CS..THydrogen-bonded Turntrans-77-4.3178.5-62.4177.4000113.2L4 L28 I33 I64 N66 L86 E88 L92L4-L90 HydrophobicContact CD1-CB 4.41Å; L4-L90 HydrophobicContact CD1-CD2 3.81Å; L4-L90 HydrophobicContact CD2-CD1 4.24Å; L4-L90 HydrophobicContact CD2-CD2 4.19Å; L28-L90 HydrophobicContact CD2-CD1 3.89Å; L28-L90 HydrophobicContact CD2-CD2 4.47Å; I33-L90 HydrophobicContact CD1-CD1 3.65Å; I33-L90 HydrophobicContact CG2-CD1 4.17Å; I64-L90 HydrophobicContact CG2-CD2 3.82Å; N66-L90 WeakPolarHBondContact CB-O 3.38Å; N66-L90 PolarHBondContact ND2-O 2.78Å; L86-L90 HydrophobicContact CD1-CD1 3.82Å; L86-L90 HydrophobicContact CD1-CD2 4.24Å; L86-L90 HydrophobicContact CD1-CG 3.79Å; L86-L90 HydrophobicContact CD2-CD1 4.25Å; L86-L90 HydrophobicContact CG-CD1 3.74Å; L86-L90 HydrophobicContact CG-CG 4.1Å; L86-L90 WeakPolarHBondContact O-CB 3.35Å; L86-L90 WeakPolarHBondContact O-CG 3.38Å; L86-L90 PolarHBondContact O-N 3.09Å; E88-L90 VanDerWaalsContact C-N 3.33Å; E88-L90 PolarHBondContact O-N 2.91Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 HydrophobicContact CB-CD1 3.82Å; L90-L92 HydrophobicContact CB-CG 3.76Å; L90-L92 HydrophobicContact CD1-CD1 3.88Å; L90-L92 PolarHBondContact O-N 3.03Å
91K96.2Very high95.5Very high81 Ų8184.2 Ų84.235%0.35246%0.456SS..THydrogen-bonded Turntrans55.643.9178.5-52.2179.3173.4-177.60112.2N66 Q69 Y70 Q87 E88 F89 A93N66-K91 PolarHBondContact ND2-O 2.81Å; Q69-K91 HydrophobicContact CB-CD 3.83Å; Q69-K91 VanDerWaalsContact OE1-CD 3.28Å; Y70-K91 WeakPolarHBondContact O-CE 3.47Å; Y70-K91 PolarHBondContact O-NZ 2.87Å; Q87-K91 PolarHBondContact O-N 3.32Å; Q87-K91 VanDerWaalsContact O-N 3.13Å; E88-K91 PolarHBondContact O-N 3.33Å; F89-K91 PolarHBondContact O-N 2.87Å; K91-A93 VanDerWaalsContact C-N 3.28Å
92L91.3Very high95.2Very high56 Ų5687.8 Ų87.829%0.29347%0.474SS..  trans-87.23.8-177.4-67.7173.8000113.4I33 Q87 L90I33-L92 HydrophobicContact CG2-CD1 4.31Å; Q87-L92 PolarHBondContact O-N 3.23Å; Q87-L92 VanDerWaalsContact O-N 3.1Å; Q87-L92 VanDerWaalsContact OE1-CB 3.29Å; L90-L92 VanDerWaalsContact C-N 3.29Å; L90-L92 HydrophobicContact CB-CD1 3.82Å; L90-L92 HydrophobicContact CB-CG 3.76Å; L90-L92 HydrophobicContact CD1-CD1 3.88Å; L90-L92 PolarHBondContact O-N 3.03Å
93A79.1Confident95Very high164 Ų16482.8 Ų82.8100%1.35546%0.456SS*.  trans-92.40177.100000112.4K91K91-A93 VanDerWaalsContact C-N 3.28Å

Retrieved 93 of 93 residues in 76.2 ms (Link to these results)

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