A0A060WD34_ONCMY Loading...

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

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

AlphaFold DB , UniProt , Accession A0A060WD34, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 92 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
1M63.4Low93.2Very high154 Ų15450.1 Ų50.176%0.75928%0.284SS*.  0119.70-69.9-178.8169.400108E66M1-E66 VanDerWaalsContact CA-OE1 3.27Å; M1-E66 WeakPolarHBondContact CA-OE1 3.5Å; M1-E66 PolarHBondContact N-OE1 3.42Å
2G88.9Confident93.4Very high31 Ų3154.8 Ų54.832%0.3233%0.334SS..  trans-153.7106.2-178.600000109.4K4 N65 E66G2-K4 PolarHBondContact O-N 2.65Å; G2-N65 PolarHBondContact N-OD1 3.32Å; G2-N65 VanDerWaalsContact N-OD1 3.11Å; G2-E66 PolarHBondContact O-N 3.07Å
3V96.8Very high93.7Very high4 Ų454.1 Ų54.12%0.02433%0.332CS..EExtended strand (participates in β ladder)trans-67.7130.8176.7178.90000108.2I32 Y34 E35 I63 F64 L89 M91V3-I32 HydrophobicContact CG2-CG2 4Å; V3-Y34 CarbonylContact O-C 3.47Å; V3-Y34 WeakPolarHBondContact O-CA 3.37Å; V3-E35 PolarHBondContact O-N 2.93Å; V3-I63 HydrophobicContact CG1-CG2 4.07Å; V3-F64 CarbonylContact C-O 3.59Å; V3-F64 WeakPolarHBondContact CA-O 3.27Å; V3-L89 HydrophobicContact CG1-CD2 4Å; V3-L89 HydrophobicContact CG2-CB 4.5Å; V3-L89 HydrophobicContact CG2-CD1 4.26Å; V3-L89 HydrophobicContact CG2-CD2 4.27Å; V3-M91 HydrophobicContact CG2-SD 4.23Å
4K97.5Very high94Very high48 Ų4866.1 Ų66.121%0.20937%0.369CS..EExtended strand (participates in β ladder)trans-119.4128.6175.8-69175176.6-179.70108.7G2 E35 I37 I63 F64 E66G2-K4 PolarHBondContact O-N 2.65Å; K4-E35 WeakPolarHBondContact CA-O 3.49Å; K4-E35 WeakPolarHBondContact CE-OE2 3.49Å; K4-E35 HydrophobicContact CG-CB 4.24Å; K4-I37 HydrophobicContact CB-CD1 3.97Å; K4-I37 HydrophobicContact CD-CD1 3.83Å; K4-I37 HydrophobicContact CG-CD1 4.07Å; K4-I63 WeakPolarHBondContact O-CA 3.28Å; K4-F64 HydrophobicContact CB-CB 4.3Å; K4-F64 PolarHBondContact N-O 3.14Å; K4-F64 PolarHBondContact O-N 2.86Å; K4-E66 WeakPolarHBondContact CD-O 3.36Å
5L98.1Very high94.2Very high0 Ų070.1 Ų70.10%038%0.384CS..EExtended strand (participates in β ladder)trans-112.3106.8176.6174.759.2000108.6Y7 V23 M24 Y34 E35 L36 I37 P61 I63L5-Y7 PolarHBondContact O-N 2.9Å; L5-V23 HydrophobicContact CD1-CG1 4Å; L5-V23 HydrophobicContact CD2-CG1 3.99Å; L5-M24 HydrophobicContact CD2-CE 3.99Å; L5-M24 HydrophobicContact CD2-CG 3.63Å; L5-Y34 HydrophobicContact CB-CD2 4.15Å; L5-Y34 HydrophobicContact CD2-CD2 4.38Å; L5-Y34 HydrophobicContact CD2-CE2 4.2Å; L5-E35 PolarHBondContact N-O 3.46Å; L5-L36 HydrophobicContact CB-CD2 4.18Å; L5-L36 HydrophobicContact CD2-CD2 3.84Å; L5-L36 HydrophobicContact CG-CD2 4.1Å; L5-I37 PolarHBondContact O-N 3.4Å; L5-P61 HydrophobicContact CD1-CB 3.66Å; L5-I63 HydrophobicContact CD1-CG1 3.9Å
6Y98.1Very high94.4Very high1 Ų166.7 Ų66.70%0.00437%0.365CS..EExtended strand (participates in β ladder)trans-75.6121.7167.8-69.3-104.9000108.4I37 I39 V45 E48 M49 P61 Q62 F64Y6-I37 WeakPolarHBondContact CA-O 3.43Å; Y6-I37 HydrophobicContact CD1-CB 3.91Å; Y6-I37 HydrophobicContact CD1-CG2 3.6Å; Y6-I37 HydrophobicContact CD2-CD1 4.35Å; Y6-I37 HydrophobicContact CE1-CB 4.12Å; Y6-I37 HydrophobicContact CE1-CD1 4.1Å; Y6-I37 HydrophobicContact CE1-CG2 3.55Å; Y6-I37 HydrophobicContact CE2-CD1 3.83Å; Y6-I37 HydrophobicContact CG-CB 4.18Å; Y6-I37 HydrophobicContact CG-CG2 4.37Å; Y6-I39 HydrophobicContact CD1-CG2 3.93Å; Y6-V45 HydrophobicContact CD1-CG1 4.3Å; Y6-V45 HydrophobicContact CE1-CG1 4.15Å; Y6-E48 PolarHBondContact OH-OE1 2.9Å; Y6-M49 HydrophobicContact CD1-CB 3.62Å; Y6-M49 HydrophobicContact CD1-CG 3.9Å; Y6-M49 HydrophobicContact CD2-CG 4.41Å; Y6-M49 HydrophobicContact CE1-CB 3.99Å; Y6-M49 HydrophobicContact CG-CB 4.04Å; Y6-M49 HydrophobicContact CG-CG 3.77Å; Y6-M49 HydrophobicContact CG-SD 4.36Å; Y6-P61 WeakPolarHBondContact O-CA 3.33Å; Y6-Q62 PolarHBondContact N-O 3.11Å; Y6-Q62 PolarHBondContact O-N 3.42Å; Y6-Q62 VanDerWaalsContact O-N 3.07Å; Y6-F64 AromaticContact CD2-CD2 3.39Å; Y6-F64 HydrophobicContact CD2-CD2 3.39Å; Y6-F64 AromaticContact CD2-CE2 3.44Å; Y6-F64 HydrophobicContact CD2-CE2 3.44Å; Y6-F64 VanDerWaalsContact CD2-CE2 3.44Å; Y6-F64 HydrophobicContact CD2-CG 4.46Å; Y6-F64 AromaticContact CE2-CD2 3.44Å; Y6-F64 HydrophobicContact CE2-CD2 3.44Å; Y6-F64 VanDerWaalsContact CE2-CD2 3.44Å; Y6-F64 AromaticContact CE2-CE2 3.62Å; Y6-F64 HydrophobicContact CE2-CE2 3.62Å; Y6-F64 HydrophobicContact CE2-CG 4.14Å; Y6-F64 HydrophobicContact CE2-CZ 4.46Å; Y6-F64 HydrophobicContact CG-CE2 4.35Å
7Y98.3Very high94.6Very high47 Ų4771.6 Ų71.618%0.18438%0.382CS..EExtended strand (participates in β ladder)trans-138.3179.3-177.690.8-66.5000109L5 T9 Q20 M24 L36 I37 D38 I39L5-Y7 PolarHBondContact O-N 2.9Å; Y7-T9 HydrophobicContact CE2-CG2 3.56Å; Y7-T9 VanDerWaalsContact OH-CG2 3.25Å; Y7-T9 WeakPolarHBondContact OH-CG2 3.34Å; Y7-Q20 VanDerWaalsContact CB-OE1 3.22Å; Y7-M24 HydrophobicContact CD2-CE 3.51Å; Y7-M24 HydrophobicContact CE2-CE 4.14Å; Y7-M24 HydrophobicContact CG-CE 3.76Å; Y7-L36 HydrophobicContact CD1-CB 4.06Å; Y7-L36 HydrophobicContact CD1-CD2 3.8Å; Y7-L36 HydrophobicContact CD1-CG 4.47Å; Y7-L36 HydrophobicContact CE1-CB 3.69Å; Y7-L36 HydrophobicContact CE1-CD1 4.47Å; Y7-L36 HydrophobicContact CE1-CD2 4.1Å; Y7-L36 HydrophobicContact CE1-CG 4.31Å; Y7-L36 HydrophobicContact CG-CD2 4.11Å; Y7-I37 WeakPolarHBondContact CD1-O 3.49Å; Y7-I37 PolarHBondContact N-O 2.95Å; Y7-D38 HydrophobicContact CD1-CB 4.26Å; Y7-D38 HydrophobicContact CE1-CB 3.59Å; Y7-D38 CarbonylContact O-C 3.53Å; Y7-D38 WeakPolarHBondContact O-CA 3.41Å; Y7-I39 WeakPolarHBondContact O-CG1 3.28Å; Y7-I39 PolarHBondContact O-N 3.06Å
8T97.7Very high94.8Very high14 Ų1471.8 Ų71.89%0.08639%0.39CS..  trans-136.3132.7174.2-176.30000110.4V10 T11 V16 Q20 D38 P60T8-V10 VanDerWaalsContact C-N 3.32Å; T8-V10 PolarHBondContact OG1-N 2.96Å; T8-V10 VanDerWaalsContact OG1-N 3.1Å; T8-V10 PolarHBondContact OG1-O 3.16Å; T8-T11 HydrophobicContact CG2-CG2 3.93Å; T8-V16 HydrophobicContact CG2-CG1 3.99Å; T8-Q20 PolarHBondContact O-OE1 3.33Å; T8-D38 WeakPolarHBondContact CA-OD1 3.49Å; T8-P60 HydrophobicContact CG2-CG 3.68Å
9T96.6Very high95Very high88 Ų8869.4 Ų69.454%0.5438%0.376SS..SBendtrans-79.9-19.2166.958.40000112.3Y7 D38 S40Y7-T9 HydrophobicContact CE2-CG2 3.56Å; Y7-T9 VanDerWaalsContact OH-CG2 3.25Å; Y7-T9 WeakPolarHBondContact OH-CG2 3.34Å; T9-D38 VanDerWaalsContact CB-OD2 3.31Å; T9-D38 WeakPolarHBondContact CB-OD2 3.5Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.39Å; T9-D38 PolarHBondContact N-OD1 3.39Å; T9-D38 PolarHBondContact N-OD2 2.85Å; T9-D38 PolarHBondContact OG1-OD2 3.22Å; T9-S40 PolarHBondContact OG1-OG 3.09Å
10V95.1Very high95.2Very high106 Ų10666.4 Ų66.464%0.64236%0.359SS*.  trans-111.3102.4-178.1-174.90000110T8T8-V10 VanDerWaalsContact C-N 3.32Å; T8-V10 PolarHBondContact OG1-N 2.96Å; T8-V10 VanDerWaalsContact OG1-N 3.1Å; T8-V10 PolarHBondContact OG1-O 3.16Å
11T94.8Very high95.3Very high58 Ų5866 Ų6636%0.35637%0.365SS..  trans-154.9141.6172.5-176.40000111.6T8 S13 V16 K17T8-T11 HydrophobicContact CG2-CG2 3.93Å; T11-S13 PolarHBondContact OG1-N 3.32Å; T11-V16 HydrophobicContact CG2-CB 4.48Å; T11-V16 HydrophobicContact CG2-CG1 4.08Å; T11-K17 HydrophobicContact CG2-CB 4.44Å
12A95.8Very high97Very high107 Ų10761.4 Ų61.488%0.88434%0.342SS*.  trans-91.2-9.4168.200000112.4R14A12-R14 PolarHBondContact O-N 3.47Å
13S97.3Very high97.4Very high45 Ų4560 Ų6032%0.31533%0.327SS..  trans-77.8115.3178.71750000110.4T11 E15 V16 K17T11-S13 PolarHBondContact OG1-N 3.32Å; S13-E15 VanDerWaalsContact C-N 3.26Å; S13-E15 PolarHBondContact O-N 2.97Å; S13-E15 PolarHBondContact OG-N 2.8Å; S13-V16 PolarHBondContact OG-N 2.88Å; S13-K17 PolarHBondContact O-N 2.89Å; S13-K17 VanDerWaalsContact O-N 3.11Å
14R97.2Very high97.5Very high223 Ų22361.3 Ų61.384%0.84233%0.333SS*.Hα-helixtrans-62.8-36.5174.7-68.6-177.4179.4-173.9-0.2111.8A12 K17 S18A12-R14 PolarHBondContact O-N 3.47Å; R14-K17 PolarHBondContact O-N 3.08Å; R14-S18 WeakPolarHBondContact O-CB 3.49Å; R14-S18 PolarHBondContact O-N 3.27Å
15E97.5Very high97.5Very high126 Ų12666.5 Ų66.559%0.58935%0.351SS*.Hα-helixtrans-62-53.8178.3-179.9-179.3179.500110.7S13 K17 S18 Q19S13-E15 VanDerWaalsContact C-N 3.26Å; S13-E15 PolarHBondContact O-N 2.97Å; S13-E15 PolarHBondContact OG-N 2.8Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.41Å; E15-S18 WeakPolarHBondContact O-CB 3.42Å; E15-S18 PolarHBondContact O-N 2.7Å; E15-Q19 HydrophobicContact CG-CG 4.35Å; E15-Q19 VanDerWaalsContact CG-NE2 3.34Å; E15-Q19 WeakPolarHBondContact O-CG 3.39Å; E15-Q19 PolarHBondContact O-N 3.29Å; E15-Q19 PolarHBondContact OE1-NE2 3.4Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.08Å
16V97.7Very high97.5Very high15 Ų1567.4 Ų67.49%0.09136%0.356CS..Hα-helixtrans-56.2-44.1176.7169.70000110.5T8 T11 S13 S18 Q20 P60T8-V16 HydrophobicContact CG2-CG1 3.99Å; T11-V16 HydrophobicContact CG2-CB 4.48Å; T11-V16 HydrophobicContact CG2-CG1 4.08Å; S13-V16 PolarHBondContact OG-N 2.88Å; V16-S18 PolarHBondContact O-N 3.3Å; V16-Q20 HydrophobicContact CG1-CG 4.42Å; V16-Q20 VanDerWaalsContact CG1-NE2 3.33Å; V16-Q20 WeakPolarHBondContact O-CB 3.36Å; V16-Q20 WeakPolarHBondContact O-CG 3.49Å; V16-Q20 PolarHBondContact O-N 2.85Å; V16-Q20 VanDerWaalsContact O-N 3.09Å; V16-Q20 PolarHBondContact O-NE2 2.96Å; V16-P60 HydrophobicContact CG1-CG 3.87Å
17K97.8Very high97.4Very high150 Ų15067.3 Ų67.365%0.65236%0.356SS*.Hα-helixtrans-59.9-44176.2-171.2175.6-178176.70112.5T11 S13 R14 E15 A21T11-K17 HydrophobicContact CG2-CB 4.44Å; S13-K17 PolarHBondContact O-N 2.89Å; S13-K17 VanDerWaalsContact O-N 3.11Å; R14-K17 PolarHBondContact O-N 3.08Å; E15-K17 VanDerWaalsContact C-N 3.27Å; E15-K17 PolarHBondContact O-N 3.41Å; K17-A21 WeakPolarHBondContact O-CB 3.4Å; K17-A21 PolarHBondContact O-N 3.19Å
18S98.1Very high97.4Very high76 Ų7670.8 Ų70.853%0.53137%0.374SS..Hα-helixtrans-67.3-48.5-179.6-166.10000111.8R14 E15 V16 Q20 A21 E22R14-S18 WeakPolarHBondContact O-CB 3.49Å; R14-S18 PolarHBondContact O-N 3.27Å; E15-S18 WeakPolarHBondContact O-CB 3.42Å; E15-S18 PolarHBondContact O-N 2.7Å; V16-S18 PolarHBondContact O-N 3.3Å; S18-Q20 PolarHBondContact O-N 3.45Å; S18-A21 PolarHBondContact O-N 3.37Å; S18-E22 WeakPolarHBondContact O-CB 3.35Å; S18-E22 PolarHBondContact O-N 2.89Å
19Q98.4Very high97.3Very high26 Ų2674.5 Ų74.512%0.12140%0.4CS..Hα-helixtrans-60.7-45-178.7-71.4176.2-8.500111.7E15 E22 V23 P61 Y73E15-Q19 HydrophobicContact CG-CG 4.35Å; E15-Q19 VanDerWaalsContact CG-NE2 3.34Å; E15-Q19 WeakPolarHBondContact O-CG 3.39Å; E15-Q19 PolarHBondContact O-N 3.29Å; E15-Q19 PolarHBondContact OE1-NE2 3.4Å; E15-Q19 VanDerWaalsContact OE1-NE2 3.08Å; Q19-E22 PolarHBondContact O-N 2.7Å; Q19-V23 WeakPolarHBondContact O-CG2 3.37Å; Q19-V23 PolarHBondContact O-N 2.8Å; Q19-P61 HydrophobicContact CB-CG 4.08Å; Q19-Y73 HydrophobicContact CB-CD1 4.38Å; Q19-Y73 HydrophobicContact CB-CD2 3.56Å; Q19-Y73 HydrophobicContact CB-CE2 3.95Å; Q19-Y73 HydrophobicContact CB-CG 3.78Å; Q19-Y73 HydrophobicContact CG-CD1 3.67Å; Q19-Y73 HydrophobicContact CG-CD2 3.71Å; Q19-Y73 HydrophobicContact CG-CE1 3.83Å; Q19-Y73 HydrophobicContact CG-CE2 3.86Å; Q19-Y73 HydrophobicContact CG-CG 3.59Å
20Q98.3Very high97.2Very high8 Ų874.1 Ų74.14%0.03739%0.391CS..Hα-helixtrans-62.5-44.9177.3-66168.311500112.1Y7 T8 V16 S18 E22 V23 M24 P60 P61Y7-Q20 VanDerWaalsContact CB-OE1 3.22Å; T8-Q20 PolarHBondContact O-OE1 3.33Å; V16-Q20 HydrophobicContact CG1-CG 4.42Å; V16-Q20 VanDerWaalsContact CG1-NE2 3.33Å; V16-Q20 WeakPolarHBondContact O-CB 3.36Å; V16-Q20 WeakPolarHBondContact O-CG 3.49Å; V16-Q20 PolarHBondContact O-N 2.85Å; V16-Q20 VanDerWaalsContact O-N 3.09Å; V16-Q20 PolarHBondContact O-NE2 2.96Å; S18-Q20 PolarHBondContact O-N 3.45Å; Q20-E22 VanDerWaalsContact C-N 3.28Å; Q20-E22 PolarHBondContact O-N 2.78Å; Q20-V23 PolarHBondContact O-N 2.93Å; Q20-M24 HydrophobicContact CB-CE 4.41Å; Q20-M24 VanDerWaalsContact O-CG 3.27Å; Q20-M24 WeakPolarHBondContact O-CG 3.39Å; Q20-M24 PolarHBondContact O-N 3.26Å; Q20-P60 HydrophobicContact CG-CB 4.48Å; Q20-P61 HydrophobicContact CG-CB 3.98Å; Q20-P61 HydrophobicContact CG-CG 4.26Å
21A98.2Very high97.2Very high58 Ų5874.1 Ų74.148%0.47940%0.396SS..Hα-helixtrans-63.1-37.3178.700000111.8K17 S18 R25K17-A21 WeakPolarHBondContact O-CB 3.4Å; K17-A21 PolarHBondContact O-N 3.19Å; S18-A21 PolarHBondContact O-N 3.37Å; A21-R25 WeakPolarHBondContact O-CB 3.16Å; A21-R25 PolarHBondContact O-N 3.45Å
22E98.3Very high97.2Very high59 Ų5972.2 Ų72.228%0.27638%0.383SS..Hα-helixtrans-67.5-47176.5-179.2162.8-143.800112.4S18 Q19 Q20 M24 R25 I26 Y73S18-E22 WeakPolarHBondContact O-CB 3.35Å; S18-E22 PolarHBondContact O-N 2.89Å; Q19-E22 PolarHBondContact O-N 2.7Å; Q20-E22 VanDerWaalsContact C-N 3.28Å; Q20-E22 PolarHBondContact O-N 2.78Å; E22-M24 VanDerWaalsContact C-N 3.34Å; E22-M24 PolarHBondContact O-N 3.41Å; E22-R25 PolarHBondContact O-N 2.89Å; E22-I26 HydrophobicContact CG-CD1 3.71Å; E22-I26 VanDerWaalsContact O-CG1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.43Å; E22-I26 PolarHBondContact O-N 3.1Å; E22-Y73 HydrophobicContact CB-CE2 4.41Å; E22-Y73 HydrophobicContact CG-CE2 4.38Å; E22-Y73 WeakPolarHBondContact OE2-CE2 3.33Å; E22-Y73 PolarHBondContact OE2-OH 3.34Å
23V98.3Very high97.1Very high0 Ų075.7 Ų75.70%038%0.381CS..Hα-helixtrans-56.7-49.4175.3173.40000110.5L5 Q19 Q20 R25 I26 L27 P61 I63 Y73 F76L5-V23 HydrophobicContact CD1-CG1 4Å; L5-V23 HydrophobicContact CD2-CG1 3.99Å; Q19-V23 WeakPolarHBondContact O-CG2 3.37Å; Q19-V23 PolarHBondContact O-N 2.8Å; Q20-V23 PolarHBondContact O-N 2.93Å; V23-R25 PolarHBondContact O-N 3.26Å; V23-I26 PolarHBondContact O-N 2.89Å; V23-L27 HydrophobicContact CG1-CD1 3.87Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.77Å; V23-P61 HydrophobicContact CG2-CB 4.26Å; V23-P61 HydrophobicContact CG2-CG 3.86Å; V23-I63 HydrophobicContact CG1-CD1 3.91Å; V23-I63 HydrophobicContact CG1-CG1 4.25Å; V23-Y73 HydrophobicContact CG2-CD2 3.98Å; V23-F76 HydrophobicContact CB-CD1 4.47Å; V23-F76 HydrophobicContact CB-CE1 4.28Å; V23-F76 HydrophobicContact CG1-CD1 4.43Å; V23-F76 HydrophobicContact CG1-CE1 4.2Å; V23-F76 HydrophobicContact CG1-CZ 4.35Å; V23-F76 HydrophobicContact CG2-CD1 3.79Å; V23-F76 HydrophobicContact CG2-CE1 4.08Å; V23-F76 HydrophobicContact CG2-CG 4.45Å
24M98.4Very high97.1Very high33 Ų3376 Ų7616%0.16338%0.376CS..Hα-helixtrans-57.2-48.5178.1-69.8176.5-16500111.6L5 Y7 Q20 E22 I26 L27 E28 Y34 L36L5-M24 HydrophobicContact CD2-CE 3.99Å; L5-M24 HydrophobicContact CD2-CG 3.63Å; Y7-M24 HydrophobicContact CD2-CE 3.51Å; Y7-M24 HydrophobicContact CE2-CE 4.14Å; Y7-M24 HydrophobicContact CG-CE 3.76Å; Q20-M24 HydrophobicContact CB-CE 4.41Å; Q20-M24 VanDerWaalsContact O-CG 3.27Å; Q20-M24 WeakPolarHBondContact O-CG 3.39Å; Q20-M24 PolarHBondContact O-N 3.26Å; E22-M24 VanDerWaalsContact C-N 3.34Å; E22-M24 PolarHBondContact O-N 3.41Å; M24-I26 VanDerWaalsContact C-N 3.29Å; M24-I26 PolarHBondContact O-N 3.03Å; M24-L27 PolarHBondContact O-N 3.46Å; M24-E28 WeakPolarHBondContact O-CB 3.36Å; M24-E28 VanDerWaalsContact O-CG 3.26Å; M24-E28 WeakPolarHBondContact O-CG 3.22Å; M24-E28 PolarHBondContact O-N 3.05Å; M24-Y34 WeakPolarHBondContact CB-OH 3.33Å; M24-Y34 HydrophobicContact CG-CE2 4.24Å; M24-L36 HydrophobicContact CE-CD1 4.41Å; M24-L36 HydrophobicContact CE-CD2 3.42Å; M24-L36 VanDerWaalsContact CE-CD2 3.42Å; M24-L36 HydrophobicContact CG-CD2 4.5Å; M24-L36 HydrophobicContact SD-CD2 4.28Å
25R98.3Very high97.1Very high156 Ų15670.5 Ų70.559%0.58936%0.36SS*.Hα-helixtrans-58.5-40179.2-173.5-173.673.3168.8-1112.4A21 E22 V23 S29A21-R25 WeakPolarHBondContact O-CB 3.16Å; A21-R25 PolarHBondContact O-N 3.45Å; E22-R25 PolarHBondContact O-N 2.89Å; V23-R25 PolarHBondContact O-N 3.26Å; R25-S29 WeakPolarHBondContact O-CB 3.4Å; R25-S29 PolarHBondContact O-N 3.24Å
26I97.6Very high97.1Very high19 Ų1968.1 Ų68.110%0.09735%0.35CS..Hα-helixtrans-74.3-41.8-178.2-67.4165.8000111E22 V23 M24 E28 S29 K30 F76 V80E22-I26 HydrophobicContact CG-CD1 3.71Å; E22-I26 VanDerWaalsContact O-CG1 3.31Å; E22-I26 WeakPolarHBondContact O-CG1 3.43Å; E22-I26 PolarHBondContact O-N 3.1Å; V23-I26 PolarHBondContact O-N 2.89Å; M24-I26 VanDerWaalsContact C-N 3.29Å; M24-I26 PolarHBondContact O-N 3.03Å; I26-E28 VanDerWaalsContact C-N 3.3Å; I26-E28 PolarHBondContact O-N 3.2Å; I26-S29 PolarHBondContact O-N 2.94Å; I26-S29 PolarHBondContact O-OG 3.13Å; I26-K30 PolarHBondContact O-N 3.41Å; I26-K30 VanDerWaalsContact O-N 3.07Å; I26-F76 HydrophobicContact CB-CE1 3.94Å; I26-F76 HydrophobicContact CB-CZ 3.98Å; I26-F76 HydrophobicContact CD1-CE1 3.93Å; I26-F76 HydrophobicContact CG2-CE1 3.87Å; I26-F76 HydrophobicContact CG2-CZ 3.62Å; I26-V80 HydrophobicContact CD1-CG1 4.34Å; I26-V80 HydrophobicContact CD1-CG2 4.16Å; I26-V80 HydrophobicContact CG2-CG2 3.8Å
27L96.8Very high97.1Very high0 Ų068.7 Ų68.70%035%0.353CS..Hα-helixtrans-61.2-42.3174.6-67.4176000110.9V23 M24 K30 S31 I32 Y34 F76 L89V23-L27 HydrophobicContact CG1-CD1 3.87Å; V23-L27 HydrophobicContact CG1-CG 4.3Å; V23-L27 WeakPolarHBondContact O-CG 3.24Å; V23-L27 PolarHBondContact O-N 2.77Å; M24-L27 PolarHBondContact O-N 3.46Å; L27-K30 CarbonylContact O-C 3.54Å; L27-K30 PolarHBondContact O-N 3.35Å; L27-S31 PolarHBondContact O-N 2.83Å; L27-I32 HydrophobicContact CD2-CB 4.29Å; L27-I32 HydrophobicContact CD2-CD1 4.17Å; L27-I32 HydrophobicContact CD2-CG2 4.18Å; L27-I32 PolarHBondContact O-N 2.81Å; L27-Y34 HydrophobicContact CB-CD1 3.69Å; L27-Y34 HydrophobicContact CB-CE1 3.65Å; L27-Y34 HydrophobicContact CD1-CD1 3.77Å; L27-Y34 HydrophobicContact CD1-CD2 4.39Å; L27-Y34 HydrophobicContact CD1-CE1 4.17Å; L27-Y34 HydrophobicContact CD1-CG 3.91Å; L27-Y34 HydrophobicContact CG-CD1 4.36Å; L27-F76 HydrophobicContact CD2-CE2 3.92Å; L27-F76 HydrophobicContact CD2-CZ 4.05Å; L27-F76 HydrophobicContact CG-CE2 4.48Å; L27-F76 HydrophobicContact CG-CZ 4.21Å; L27-L89 HydrophobicContact CD2-CD1 3.9Å
28E96.7Very high97.1Very high120 Ų12062.7 Ų62.756%0.56133%0.328SS*.Hα-helixtrans-62.7-44.7174.6-74.2168.9-166.100112.5M24 I26 K30 S31 Y34M24-E28 WeakPolarHBondContact O-CB 3.36Å; M24-E28 VanDerWaalsContact O-CG 3.26Å; M24-E28 WeakPolarHBondContact O-CG 3.22Å; M24-E28 PolarHBondContact O-N 3.05Å; I26-E28 VanDerWaalsContact C-N 3.3Å; I26-E28 PolarHBondContact O-N 3.2Å; E28-K30 VanDerWaalsContact C-N 3.26Å; E28-K30 PolarHBondContact O-N 3.38Å; E28-S31 PolarHBondContact O-N 2.65Å; E28-Y34 HydrophobicContact CG-CE1 4.18Å; E28-Y34 PolarHBondContact OE1-OH 2.87Å
29S96.7Very high97Very high91 Ų9160 Ų6064%0.63631%0.307SS*.Hα-helixtrans-65-3118076.10000112.7R25 I26 S31R25-S29 WeakPolarHBondContact O-CB 3.4Å; R25-S29 PolarHBondContact O-N 3.24Å; I26-S29 PolarHBondContact O-N 2.94Å; I26-S29 PolarHBondContact O-OG 3.13Å; S29-S31 VanDerWaalsContact C-N 3.3Å
30K93.7Very high96.8Very high81 Ų8161.1 Ų61.135%0.35232%0.318SS..THydrogen-bonded Turntrans-85.44.5172.9-70.4-177.9175.4-880113.4I26 L27 E28 I32 D83 V85I26-K30 PolarHBondContact O-N 3.41Å; I26-K30 VanDerWaalsContact O-N 3.07Å; L27-K30 CarbonylContact O-C 3.54Å; L27-K30 PolarHBondContact O-N 3.35Å; E28-K30 VanDerWaalsContact C-N 3.26Å; E28-K30 PolarHBondContact O-N 3.38Å; K30-I32 HydrophobicContact CB-CD1 3.87Å; K30-I32 HydrophobicContact CB-CG1 3.94Å; K30-I32 HydrophobicContact CD-CD1 4.49Å; K30-I32 PolarHBondContact O-N 2.86Å; K30-D83 IonicContact NZ-OD1 2.89Å; K30-D83 PolarHBondContact NZ-OD1 2.85Å; K30-V85 HydrophobicContact CD-CB 4.01Å; K30-V85 HydrophobicContact CD-CG1 4.04Å; K30-V85 HydrophobicContact CD-CG2 4.12Å
31S94.9Very high96.5Very high106 Ų10666 Ų6674%0.74135%0.348SS*.THydrogen-bonded Turntrans5631.5-178.3-59.80000114.2L27 E28 S29L27-S31 PolarHBondContact O-N 2.83Å; E28-S31 PolarHBondContact O-N 2.65Å; S29-S31 VanDerWaalsContact C-N 3.3Å
32I94.9Very high96.1Very high17 Ų1764.7 Ų64.79%0.08734%0.34CS..  trans-85.6123.9178.5-61.5176.2000108V3 L27 K30 Y34 V85 L89 M91V3-I32 HydrophobicContact CG2-CG2 4Å; L27-I32 HydrophobicContact CD2-CB 4.29Å; L27-I32 HydrophobicContact CD2-CD1 4.17Å; L27-I32 HydrophobicContact CD2-CG2 4.18Å; L27-I32 PolarHBondContact O-N 2.81Å; K30-I32 HydrophobicContact CB-CD1 3.87Å; K30-I32 HydrophobicContact CB-CG1 3.94Å; K30-I32 HydrophobicContact CD-CD1 4.49Å; K30-I32 PolarHBondContact O-N 2.86Å; I32-Y34 WeakPolarHBondContact O-CD1 3.5Å; I32-V85 HydrophobicContact CD1-CG1 4.07Å; I32-L89 HydrophobicContact CD1-CD1 3.55Å; I32-L89 HydrophobicContact CG2-CD1 4.09Å; I32-M91 HydrophobicContact CG2-SD 4.26Å
33Q95.1Very high95.7Very high181 Ų18163.7 Ų63.785%0.84635%0.346SS*.  trans-78.6133.7173.7-64.6-166.43.400110.3
34Y96.7Very high95.5Very high51 Ų5171.8 Ų71.820%0.238%0.384CS..EExtended strand (participates in β ladder)trans-142.4153.1178.762.2-86.2000111.5V3 L5 M24 L27 E28 I32 L36V3-Y34 CarbonylContact O-C 3.47Å; V3-Y34 WeakPolarHBondContact O-CA 3.37Å; L5-Y34 HydrophobicContact CB-CD2 4.15Å; L5-Y34 HydrophobicContact CD2-CD2 4.38Å; L5-Y34 HydrophobicContact CD2-CE2 4.2Å; M24-Y34 WeakPolarHBondContact CB-OH 3.33Å; M24-Y34 HydrophobicContact CG-CE2 4.24Å; L27-Y34 HydrophobicContact CB-CD1 3.69Å; L27-Y34 HydrophobicContact CB-CE1 3.65Å; L27-Y34 HydrophobicContact CD1-CD1 3.77Å; L27-Y34 HydrophobicContact CD1-CD2 4.39Å; L27-Y34 HydrophobicContact CD1-CE1 4.17Å; L27-Y34 HydrophobicContact CD1-CG 3.91Å; L27-Y34 HydrophobicContact CG-CD1 4.36Å; E28-Y34 HydrophobicContact CG-CE1 4.18Å; E28-Y34 PolarHBondContact OE1-OH 2.87Å; I32-Y34 WeakPolarHBondContact O-CD1 3.5Å; Y34-L36 HydrophobicContact CD2-CD2 4.12Å; Y34-L36 HydrophobicContact CD2-CG 4.18Å; Y34-L36 HydrophobicContact CE2-CD1 4.39Å; Y34-L36 HydrophobicContact CE2-CD2 3.69Å; Y34-L36 HydrophobicContact CE2-CG 3.81Å
35E97.2Very high95.3Very high108 Ų10871.8 Ų71.851%0.50539%0.386SS..EExtended strand (participates in β ladder)trans-95.7136.9171.8-176.9-176.9-174.600109.8V3 K4 L5 I37V3-E35 PolarHBondContact O-N 2.93Å; K4-E35 WeakPolarHBondContact CA-O 3.49Å; K4-E35 WeakPolarHBondContact CE-OE2 3.49Å; K4-E35 HydrophobicContact CG-CB 4.24Å; L5-E35 PolarHBondContact N-O 3.46Å; E35-I37 HydrophobicContact CG-CG1 4.35Å
36L97.4Very high95.2Very high75 Ų7569.1 Ų69.139%0.39338%0.376SS..EExtended strand (participates in β ladder)trans-95.4123.9175.1-76.9175.6000110.5L5 Y7 M24 Y34L5-L36 HydrophobicContact CB-CD2 4.18Å; L5-L36 HydrophobicContact CD2-CD2 3.84Å; L5-L36 HydrophobicContact CG-CD2 4.1Å; Y7-L36 HydrophobicContact CD1-CB 4.06Å; Y7-L36 HydrophobicContact CD1-CD2 3.8Å; Y7-L36 HydrophobicContact CD1-CG 4.47Å; Y7-L36 HydrophobicContact CE1-CB 3.69Å; Y7-L36 HydrophobicContact CE1-CD1 4.47Å; Y7-L36 HydrophobicContact CE1-CD2 4.1Å; Y7-L36 HydrophobicContact CE1-CG 4.31Å; Y7-L36 HydrophobicContact CG-CD2 4.11Å; M24-L36 HydrophobicContact CE-CD1 4.41Å; M24-L36 HydrophobicContact CE-CD2 3.42Å; M24-L36 VanDerWaalsContact CE-CD2 3.42Å; M24-L36 HydrophobicContact CG-CD2 4.5Å; M24-L36 HydrophobicContact SD-CD2 4.28Å; Y34-L36 HydrophobicContact CD2-CD2 4.12Å; Y34-L36 HydrophobicContact CD2-CG 4.18Å; Y34-L36 HydrophobicContact CE2-CD1 4.39Å; Y34-L36 HydrophobicContact CE2-CD2 3.69Å; Y34-L36 HydrophobicContact CE2-CG 3.81Å
37I97.1Very high95.1Very high28 Ų2872 Ų7214%0.14439%0.391CS..EExtended strand (participates in β ladder)trans-116.5105.5178.1-56.7175.5000108.5K4 L5 Y6 Y7 E35 I39 V45K4-I37 HydrophobicContact CB-CD1 3.97Å; K4-I37 HydrophobicContact CD-CD1 3.83Å; K4-I37 HydrophobicContact CG-CD1 4.07Å; L5-I37 PolarHBondContact O-N 3.4Å; Y6-I37 WeakPolarHBondContact CA-O 3.43Å; Y6-I37 HydrophobicContact CD1-CB 3.91Å; Y6-I37 HydrophobicContact CD1-CG2 3.6Å; Y6-I37 HydrophobicContact CD2-CD1 4.35Å; Y6-I37 HydrophobicContact CE1-CB 4.12Å; Y6-I37 HydrophobicContact CE1-CD1 4.1Å; Y6-I37 HydrophobicContact CE1-CG2 3.55Å; Y6-I37 HydrophobicContact CE2-CD1 3.83Å; Y6-I37 HydrophobicContact CG-CB 4.18Å; Y6-I37 HydrophobicContact CG-CG2 4.37Å; Y7-I37 WeakPolarHBondContact CD1-O 3.49Å; Y7-I37 PolarHBondContact N-O 2.95Å; E35-I37 HydrophobicContact CG-CG1 4.35Å; I37-I39 PolarHBondContact O-N 3.32Å; I37-V45 HydrophobicContact CG2-CG1 3.51Å
38D97.4Very high95Very high24 Ų2476 Ų7613%0.12841%0.41CS..EExtended strand (participates in β ladder)trans-81.8112.3-177.8-173.5-8.3000110.9Y7 T8 T9 S40 V41Y7-D38 HydrophobicContact CD1-CB 4.26Å; Y7-D38 HydrophobicContact CE1-CB 3.59Å; Y7-D38 CarbonylContact O-C 3.53Å; Y7-D38 WeakPolarHBondContact O-CA 3.41Å; T8-D38 WeakPolarHBondContact CA-OD1 3.49Å; T9-D38 VanDerWaalsContact CB-OD2 3.31Å; T9-D38 WeakPolarHBondContact CB-OD2 3.5Å; T9-D38 WeakPolarHBondContact CG2-OD2 3.39Å; T9-D38 PolarHBondContact N-OD1 3.39Å; T9-D38 PolarHBondContact N-OD2 2.85Å; T9-D38 PolarHBondContact OG1-OD2 3.22Å; D38-S40 PolarHBondContact O-N 3.34Å; D38-S40 VanDerWaalsContact OD1-CB 3.27Å; D38-S40 WeakPolarHBondContact OD1-CB 3.45Å; D38-S40 PolarHBondContact OD1-N 2.91Å; D38-S40 PolarHBondContact OD1-OG 3.42Å; D38-S40 PolarHBondContact OD2-OG 3.34Å; D38-S40 VanDerWaalsContact OD2-OG 3.04Å; D38-V41 HydrophobicContact CB-CG1 3.92Å; D38-V41 WeakPolarHBondContact O-CG2 3.38Å; D38-V41 PolarHBondContact O-N 2.86Å
39I96.8Very high95Very high19 Ų1970.3 Ų70.310%0.09738%0.383CS..THydrogen-bonded Turntrans-72.2-9.9179.366.9160.7000113.5Y6 Y7 I37 V41 V45 R46 M49 P60Y6-I39 HydrophobicContact CD1-CG2 3.93Å; Y7-I39 WeakPolarHBondContact O-CG1 3.28Å; Y7-I39 PolarHBondContact O-N 3.06Å; I37-I39 PolarHBondContact O-N 3.32Å; I39-V41 VanDerWaalsContact C-N 3.31Å; I39-V45 HydrophobicContact CG2-CG1 4.25Å; I39-R46 HydrophobicContact CB-CB 4.13Å; I39-R46 HydrophobicContact CD1-CG 4.16Å; I39-M49 HydrophobicContact CD1-CE 4.37Å; I39-M49 HydrophobicContact CG2-CB 4.39Å; I39-M49 HydrophobicContact CG2-SD 3.88Å; I39-P60 HydrophobicContact CD1-CG 3.84Å; I39-P60 HydrophobicContact CG1-CG 4.47Å
40S94.8Very high95Very high49 Ų4969.2 Ų69.234%0.34337%0.365SS..THydrogen-bonded Turntrans-80-13.8178.771.80000113.5T9 D38 G42T9-S40 PolarHBondContact OG1-OG 3.09Å; D38-S40 PolarHBondContact O-N 3.34Å; D38-S40 VanDerWaalsContact OD1-CB 3.27Å; D38-S40 WeakPolarHBondContact OD1-CB 3.45Å; D38-S40 PolarHBondContact OD1-N 2.91Å; D38-S40 PolarHBondContact OD1-OG 3.42Å; D38-S40 PolarHBondContact OD2-OG 3.34Å; D38-S40 VanDerWaalsContact OD2-OG 3.04Å; S40-G42 VanDerWaalsContact C-N 3.27Å; S40-G42 PolarHBondContact O-N 2.89Å
41V91.9Very high95.1Very high111 Ų11169.9 Ų69.967%0.67338%0.38SS*.SBendtrans-70.2-23.4-179.2-54.30000112.9D38 I39 V45D38-V41 HydrophobicContact CB-CG1 3.92Å; D38-V41 WeakPolarHBondContact O-CG2 3.38Å; D38-V41 PolarHBondContact O-N 2.86Å; I39-V41 VanDerWaalsContact C-N 3.31Å; V41-V45 HydrophobicContact CG2-CG2 3.89Å
42G88.6Confident95.1Very high30 Ų3067.8 Ų67.831%0.30936%0.357SS..  trans-175.4150.5179.700000113.2S40 E44 V45S40-G42 VanDerWaalsContact C-N 3.27Å; S40-G42 PolarHBondContact O-N 2.89Å; G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.07Å; G42-V45 PolarHBondContact O-N 3.13Å
43G90.6Very high95.1Very high39 Ų3967.7 Ų67.740%0.40236%0.359SS..Hα-helixtrans-60.5-34.3-18000000113.6V45 R46 D47G43-V45 VanDerWaalsContact C-N 3.34Å; G43-V45 PolarHBondContact O-N 2.97Å; G43-R46 WeakPolarHBondContact O-CB 3.18Å; G43-R46 PolarHBondContact O-N 3.23Å; G43-D47 VanDerWaalsContact O-CG 3.23Å; G43-D47 PolarHBondContact O-N 3.43Å
44E94.3Very high95.1Very high169 Ų16962.3 Ų62.379%0.7935%0.353SS*.Hα-helixtrans-61.3-39.7-179.9-62-178.4154.800112.4G42 R46 D47 E48G42-E44 VanDerWaalsContact C-N 3.26Å; G42-E44 PolarHBondContact O-N 3.07Å; E44-R46 PolarHBondContact O-N 2.98Å; E44-D47 PolarHBondContact O-N 3.22Å; E44-E48 WeakPolarHBondContact O-CB 3.31Å; E44-E48 PolarHBondContact O-N 3Å
45V94.6Very high95Very high34 Ų3463.1 Ų63.121%0.20636%0.361CS..Hα-helixtrans-66.9-39.8179.6-175.60000110.9Y6 I37 I39 V41 G42 G43 M49Y6-V45 HydrophobicContact CD1-CG1 4.3Å; Y6-V45 HydrophobicContact CE1-CG1 4.15Å; I37-V45 HydrophobicContact CG2-CG1 3.51Å; I39-V45 HydrophobicContact CG2-CG1 4.25Å; V41-V45 HydrophobicContact CG2-CG2 3.89Å; G42-V45 PolarHBondContact O-N 3.13Å; G43-V45 VanDerWaalsContact C-N 3.34Å; G43-V45 PolarHBondContact O-N 2.97Å; V45-M49 PolarHBondContact O-N 2.98Å
46R94.9Very high94.9Very high100 Ų10062.8 Ų62.838%0.37737%0.368SS..Hα-helixtrans-64.3-42.1174.1-178.2-173.867.4-163.4-3.5111.4I39 G43 E44 M49 R50I39-R46 HydrophobicContact CB-CB 4.13Å; I39-R46 HydrophobicContact CD1-CG 4.16Å; G43-R46 WeakPolarHBondContact O-CB 3.18Å; G43-R46 PolarHBondContact O-N 3.23Å; E44-R46 PolarHBondContact O-N 2.98Å; R46-M49 WeakPolarHBondContact O-CB 3.35Å; R46-M49 PolarHBondContact O-N 3.25Å; R46-R50 WeakPolarHBondContact O-CG 3.42Å; R46-R50 PolarHBondContact O-N 3.01Å
47D95.6Very high94.7Very high80 Ų8064.2 Ų64.243%0.42838%0.379SS..Hα-helixtrans-71.9-35.5-178.4-64.7-16.2000110.8G43 E44 R50 S51G43-D47 VanDerWaalsContact O-CG 3.23Å; G43-D47 PolarHBondContact O-N 3.43Å; E44-D47 PolarHBondContact O-N 3.22Å; D47-R50 PolarHBondContact O-N 3.14Å; D47-R50 IonicContact OD1-NH1 3.96Å; D47-S51 VanDerWaalsContact O-CB 3.28Å; D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 3.13Å
48E94.8Very high94.7Very high83 Ų8363 Ų6339%0.38837%0.374SS..Hα-helixtrans-58.5-51.4168.7-175.1-17213100111.2Y6 E44 R50 S51 K52Y6-E48 PolarHBondContact OH-OE1 2.9Å; E44-E48 WeakPolarHBondContact O-CB 3.31Å; E44-E48 PolarHBondContact O-N 3Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.1Å; E48-S51 PolarHBondContact O-N 2.82Å; E48-K52 HydrophobicContact CG-CD 3.93Å; E48-K52 HydrophobicContact CG-CG 4.27Å; E48-K52 WeakPolarHBondContact O-CB 3.26Å; E48-K52 WeakPolarHBondContact O-CG 3.39Å; E48-K52 PolarHBondContact O-N 3.44Å; E48-K52 WeakPolarHBondContact OE1-CE 3.5Å; E48-K52 IonicContact OE1-NZ 2.8Å; E48-K52 PolarHBondContact OE1-NZ 2.93Å
49M96.6Very high94.6Very high0 Ų065.7 Ų65.70%039%0.391CS..Hα-helixtrans-54-47.9177.2-178.9-161.269.600111.2Y6 I39 V45 R46 A53 A58 Q62 F64Y6-M49 HydrophobicContact CD1-CB 3.62Å; Y6-M49 HydrophobicContact CD1-CG 3.9Å; Y6-M49 HydrophobicContact CD2-CG 4.41Å; Y6-M49 HydrophobicContact CE1-CB 3.99Å; Y6-M49 HydrophobicContact CG-CB 4.04Å; Y6-M49 HydrophobicContact CG-CG 3.77Å; Y6-M49 HydrophobicContact CG-SD 4.36Å; I39-M49 HydrophobicContact CD1-CE 4.37Å; I39-M49 HydrophobicContact CG2-CB 4.39Å; I39-M49 HydrophobicContact CG2-SD 3.88Å; V45-M49 PolarHBondContact O-N 2.98Å; R46-M49 WeakPolarHBondContact O-CB 3.35Å; R46-M49 PolarHBondContact O-N 3.25Å; M49-A53 WeakPolarHBondContact O-CB 3.48Å; M49-A53 PolarHBondContact O-N 3.26Å; M49-A58 HydrophobicContact CE-CB 4.06Å; M49-A58 WeakPolarHBondContact CE-O 3.48Å; M49-Q62 HydrophobicContact CE-CG 4.28Å; M49-Q62 HydrophobicContact CG-CB 3.88Å; M49-Q62 HydrophobicContact CG-CG 3.85Å; M49-Q62 HydrophobicContact SD-CB 3.96Å; M49-Q62 HydrophobicContact SD-CG 3.55Å; M49-Q62 VanDerWaalsContact SD-CG 3.55Å; M49-F64 HydrophobicContact CG-CE2 4.49Å
50R96.9Very high94.6Very high68 Ų6865.2 Ų65.226%0.25739%0.389SS..Hα-helixtrans-65.4-41.5179.8-75.6166.4171.2-175.6-7.6112.6R46 D47 E48 G54 N55 P56 A58R46-R50 WeakPolarHBondContact O-CG 3.42Å; R46-R50 PolarHBondContact O-N 3.01Å; D47-R50 PolarHBondContact O-N 3.14Å; D47-R50 IonicContact OD1-NH1 3.96Å; E48-R50 VanDerWaalsContact C-N 3.3Å; E48-R50 PolarHBondContact O-N 3.1Å; R50-G54 PolarHBondContact O-N 3.26Å; R50-G54 VanDerWaalsContact O-N 3.13Å; R50-N55 WeakPolarHBondContact CA-O 3.26Å; R50-N55 WeakPolarHBondContact CB-O 3.16Å; R50-N55 WeakPolarHBondContact CG-O 3.46Å; R50-N55 CarbonylContact O-C 3.6Å; R50-N55 PolarHBondContact O-N 3.24Å; R50-P56 WeakPolarHBondContact CD-O 3.46Å; R50-P56 PolarHBondContact NE-O 3.49Å; R50-A58 HydrophobicContact CG-CB 4.08Å
51S96.6Very high94.8Very high95 Ų9562.9 Ų62.966%0.66437%0.373SS*.Hα-helixtrans-64.9-48.7177.6-179.50000111.1D47 E48 A53 G54D47-S51 VanDerWaalsContact O-CB 3.28Å; D47-S51 WeakPolarHBondContact O-CB 3.39Å; D47-S51 PolarHBondContact O-N 3.13Å; E48-S51 PolarHBondContact O-N 2.82Å; S51-A53 VanDerWaalsContact C-N 3.34Å; S51-A53 PolarHBondContact O-N 3.31Å; S51-G54 PolarHBondContact O-N 3.14Å
52K94.9Very high95.1Very high62 Ų6258 Ų5827%0.2734%0.343SS..Hα-helixtrans-65.9-34.6178.4-68.7-178.2166177.10112.6E48 G54 F64 D67E48-K52 HydrophobicContact CG-CD 3.93Å; E48-K52 HydrophobicContact CG-CG 4.27Å; E48-K52 WeakPolarHBondContact O-CB 3.26Å; E48-K52 WeakPolarHBondContact O-CG 3.39Å; E48-K52 PolarHBondContact O-N 3.44Å; E48-K52 WeakPolarHBondContact OE1-CE 3.5Å; E48-K52 IonicContact OE1-NZ 2.8Å; E48-K52 PolarHBondContact OE1-NZ 2.93Å; K52-G54 PolarHBondContact O-N 2.93Å; K52-F64 HydrophobicContact CB-CD1 4.32Å; K52-F64 HydrophobicContact CB-CE1 3.4Å; K52-F64 HydrophobicContact CB-CZ 3.8Å; K52-F64 HydrophobicContact CD-CE1 4.36Å; K52-D67 IonicContact NZ-OD1 2.85Å; K52-D67 PolarHBondContact NZ-OD1 3.45Å
53A94.7Very high95.6Very high15 Ų1556.6 Ų56.612%0.12433%0.328CS..THydrogen-bonded Turntrans-74.2-9.9173.200000113.4M49 S51 N55 A58 F64 Y69M49-A53 WeakPolarHBondContact O-CB 3.48Å; M49-A53 PolarHBondContact O-N 3.26Å; S51-A53 VanDerWaalsContact C-N 3.34Å; S51-A53 PolarHBondContact O-N 3.31Å; A53-N55 PolarHBondContact O-N 2.8Å; A53-A58 HydrophobicContact CB-CB 4.27Å; A53-F64 HydrophobicContact CB-CZ 4.3Å; A53-Y69 HydrophobicContact CB-CD2 4.19Å; A53-Y69 HydrophobicContact CB-CE2 3.89Å
54G95.5Very high95.9Very high69 Ų6954.8 Ų54.871%0.71131%0.309SS*.THydrogen-bonded Turntrans63.819-174.200000113.7R50 S51 K52R50-G54 PolarHBondContact O-N 3.26Å; R50-G54 VanDerWaalsContact O-N 3.13Å; S51-G54 PolarHBondContact O-N 3.14Å; K52-G54 PolarHBondContact O-N 2.93Å
55N94.5Very high96Very high68 Ų6847.3 Ų47.336%0.36428%0.275SS..  trans-133.8108.3-174.5178.4-1.6000110.6R50 A53 T57 A58R50-N55 WeakPolarHBondContact CA-O 3.26Å; R50-N55 WeakPolarHBondContact CB-O 3.16Å; R50-N55 WeakPolarHBondContact CG-O 3.46Å; R50-N55 CarbonylContact O-C 3.6Å; R50-N55 PolarHBondContact O-N 3.24Å; A53-N55 PolarHBondContact O-N 2.8Å; N55-T57 PolarHBondContact O-N 3.32Å; N55-T57 VanDerWaalsContact O-N 3.14Å; N55-T57 PolarHBondContact OD1-N 2.98Å; N55-T57 PolarHBondContact OD1-OG1 3.4Å; N55-T57 VanDerWaalsContact OD1-OG1 3.07Å; N55-A58 HydrophobicContact CB-CB 4.12Å; N55-A58 WeakPolarHBondContact O-CB 3.33Å; N55-A58 PolarHBondContact O-N 2.99Å; N55-A58 VanDerWaalsContact O-N 3.09Å; N55-A58 PolarHBondContact OD1-N 3.33Å
56P94Very high95.8Very high101 Ų10150.5 Ų50.566%0.65629%0.287SS*.THydrogen-bonded Turntrans-66.9-16.3-176.428.3-35.3000113.7R50R50-P56 WeakPolarHBondContact CD-O 3.46Å; R50-P56 PolarHBondContact NE-O 3.49Å
57T94.6Very high95.6Very high104 Ų10451.2 Ų51.264%0.63830%0.298SS*.THydrogen-bonded Turntrans-110.416.2177.962.50000112.3N55 V59N55-T57 PolarHBondContact O-N 3.32Å; N55-T57 VanDerWaalsContact O-N 3.14Å; N55-T57 PolarHBondContact OD1-N 2.98Å; N55-T57 PolarHBondContact OD1-OG1 3.4Å; N55-T57 VanDerWaalsContact OD1-OG1 3.07Å; T57-V59 PolarHBondContact O-N 3.26Å
58A95.6Very high95.5Very high4 Ų452.4 Ų52.43%0.03330%0.302CS..  trans-55136.6175.900000111M49 R50 A53 N55 Q62M49-A58 HydrophobicContact CE-CB 4.06Å; M49-A58 WeakPolarHBondContact CE-O 3.48Å; R50-A58 HydrophobicContact CG-CB 4.08Å; A53-A58 HydrophobicContact CB-CB 4.27Å; N55-A58 HydrophobicContact CB-CB 4.12Å; N55-A58 WeakPolarHBondContact O-CB 3.33Å; N55-A58 PolarHBondContact O-N 2.99Å; N55-A58 VanDerWaalsContact O-N 3.09Å; N55-A58 PolarHBondContact OD1-N 3.33Å; A58-Q62 HydrophobicContact CB-CG 4.43Å
59V96.1Very high95.6Very high79 Ų7951.3 Ų51.348%0.47929%0.294SS..  trans-118.6145.4175.3-640000109T57 Q62T57-V59 PolarHBondContact O-N 3.26Å; V59-Q62 PolarHBondContact O-NE2 2.92Å
60P97.3Very high95.6Very high9 Ų952 Ų526%0.05830%0.299CS..SBendtrans-64152.4175.324.8-31.2000111.3T8 V16 Q20 I39T8-P60 HydrophobicContact CG2-CG 3.68Å; V16-P60 HydrophobicContact CG1-CG 3.87Å; Q20-P60 HydrophobicContact CG-CB 4.48Å; I39-P60 HydrophobicContact CD1-CG 3.84Å; I39-P60 HydrophobicContact CG1-CG 4.47Å
61P98.1Very high95.7Very high1 Ų148.8 Ų48.81%0.00629%0.287CS..  cis-78.8144.82.830.9-32.6000113.3L5 Y6 Q19 Q20 V23 Y73L5-P61 HydrophobicContact CD1-CB 3.66Å; Y6-P61 WeakPolarHBondContact O-CA 3.33Å; Q19-P61 HydrophobicContact CB-CG 4.08Å; Q20-P61 HydrophobicContact CG-CB 3.98Å; Q20-P61 HydrophobicContact CG-CG 4.26Å; V23-P61 HydrophobicContact CG2-CB 4.26Å; V23-P61 HydrophobicContact CG2-CG 3.86Å; P61-Y73 HydrophobicContact CG-CD2 4.45Å
62Q98.4Very high95.8Very high8 Ų846 Ų464%0.03726%0.264CS..EExtended strand (participates in β ladder)trans-129.5128171.1-60.9-66.7-47.500109.7Y6 M49 A58 V59 F64 Y69Y6-Q62 PolarHBondContact N-O 3.11Å; Y6-Q62 PolarHBondContact O-N 3.42Å; Y6-Q62 VanDerWaalsContact O-N 3.07Å; M49-Q62 HydrophobicContact CE-CG 4.28Å; M49-Q62 HydrophobicContact CG-CB 3.88Å; M49-Q62 HydrophobicContact CG-CG 3.85Å; M49-Q62 HydrophobicContact SD-CB 3.96Å; M49-Q62 HydrophobicContact SD-CG 3.55Å; M49-Q62 VanDerWaalsContact SD-CG 3.55Å; A58-Q62 HydrophobicContact CB-CG 4.43Å; V59-Q62 PolarHBondContact O-NE2 2.92Å; Q62-F64 HydrophobicContact CB-CE2 3.81Å; Q62-Y69 PolarHBondContact OE1-OH 2.98Å
63I98.4Very high95.9Very high0 Ų045.2 Ų45.20%026%0.26CS..EExtended strand (participates in β ladder)trans-111.3133.5-170.2-56154000109.7V3 K4 L5 V23 C70 G71 F76 F88 L89V3-I63 HydrophobicContact CG1-CG2 4.07Å; K4-I63 WeakPolarHBondContact O-CA 3.28Å; L5-I63 HydrophobicContact CD1-CG1 3.9Å; V23-I63 HydrophobicContact CG1-CD1 3.91Å; V23-I63 HydrophobicContact CG1-CG1 4.25Å; I63-C70 HydrophobicContact CB-CB 4.38Å; I63-C70 HydrophobicContact CG2-CB 4.13Å; I63-C70 WeakPolarHBondContact O-CB 3.27Å; I63-C70 PolarHBondContact O-N 3.42Å; I63-G71 PolarHBondContact N-O 2.92Å; I63-G71 PolarHBondContact O-N 3.03Å; I63-F76 HydrophobicContact CD1-CB 3.65Å; I63-F76 HydrophobicContact CD1-CD2 3.61Å; I63-F76 HydrophobicContact CD1-CE2 4.35Å; I63-F76 HydrophobicContact CD1-CG 3.68Å; I63-F88 HydrophobicContact CB-CE1 4.2Å; I63-F88 HydrophobicContact CB-CZ 4.5Å; I63-F88 HydrophobicContact CD1-CE1 3.78Å; I63-F88 HydrophobicContact CD1-CZ 4.09Å; I63-F88 HydrophobicContact CG2-CE1 4.15Å; I63-L89 HydrophobicContact CG2-CD2 3.5Å; I63-L89 VanDerWaalsContact CG2-CD2 3.5Å
64F97.6Very high96.1Very high1 Ų150.6 Ų50.60%0.00428%0.283CS..EExtended strand (participates in β ladder)trans-131155177.7-62.3-101.8000109.5V3 K4 Y6 M49 K52 A53 Q62 Q68 Y69V3-F64 CarbonylContact C-O 3.59Å; V3-F64 WeakPolarHBondContact CA-O 3.27Å; K4-F64 HydrophobicContact CB-CB 4.3Å; K4-F64 PolarHBondContact N-O 3.14Å; K4-F64 PolarHBondContact O-N 2.86Å; Y6-F64 AromaticContact CD2-CD2 3.39Å; Y6-F64 HydrophobicContact CD2-CD2 3.39Å; Y6-F64 AromaticContact CD2-CE2 3.44Å; Y6-F64 HydrophobicContact CD2-CE2 3.44Å; Y6-F64 VanDerWaalsContact CD2-CE2 3.44Å; Y6-F64 HydrophobicContact CD2-CG 4.46Å; Y6-F64 AromaticContact CE2-CD2 3.44Å; Y6-F64 HydrophobicContact CE2-CD2 3.44Å; Y6-F64 VanDerWaalsContact CE2-CD2 3.44Å; Y6-F64 AromaticContact CE2-CE2 3.62Å; Y6-F64 HydrophobicContact CE2-CE2 3.62Å; Y6-F64 HydrophobicContact CE2-CG 4.14Å; Y6-F64 HydrophobicContact CE2-CZ 4.46Å; Y6-F64 HydrophobicContact CG-CE2 4.35Å; M49-F64 HydrophobicContact CG-CE2 4.49Å; K52-F64 HydrophobicContact CB-CD1 4.32Å; K52-F64 HydrophobicContact CB-CE1 3.4Å; K52-F64 HydrophobicContact CB-CZ 3.8Å; K52-F64 HydrophobicContact CD-CE1 4.36Å; A53-F64 HydrophobicContact CB-CZ 4.3Å; Q62-F64 HydrophobicContact CB-CE2 3.81Å; F64-Q68 CarbonylContact C-O 3.59Å; F64-Q68 VanDerWaalsContact CA-O 3.24Å; F64-Q68 WeakPolarHBondContact CA-O 3.36Å; F64-Y69 HydrophobicContact CD1-CD2 4.03Å; F64-Y69 HydrophobicContact CD1-CG 4.49Å; F64-Y69 AromaticContact CE1-CD2 3.45Å; F64-Y69 HydrophobicContact CE1-CD2 3.45Å; F64-Y69 VanDerWaalsContact CE1-CD2 3.45Å; F64-Y69 AromaticContact CE1-CG 3.96Å; F64-Y69 HydrophobicContact CE1-CG 3.96Å; F64-Y69 HydrophobicContact CE2-CD2 4.04Å; F64-Y69 HydrophobicContact CE2-CE2 4.49Å; F64-Y69 AromaticContact CZ-CD2 3.47Å; F64-Y69 HydrophobicContact CZ-CD2 3.47Å; F64-Y69 VanDerWaalsContact CZ-CD2 3.47Å; F64-Y69 HydrophobicContact CZ-CE2 4.14Å; F64-Y69 HydrophobicContact CZ-CG 4.37Å
65N96.1Very high96.2Very high12 Ų1251.7 Ų51.76%0.06427%0.271CS..EExtended strand (participates in β ladder)trans-115111.5161.5-175.1-3.1000106.8G2 D67 Q68 C70 L89 K90G2-N65 PolarHBondContact N-OD1 3.32Å; G2-N65 VanDerWaalsContact N-OD1 3.11Å; N65-D67 PolarHBondContact O-N 3.01Å; N65-D67 VanDerWaalsContact O-N 3.14Å; N65-Q68 PolarHBondContact N-O 3.39Å; N65-Q68 WeakPolarHBondContact O-CB 3.26Å; N65-Q68 PolarHBondContact O-N 3.31Å; N65-C70 PolarHBondContact N-SG 3.27Å; N65-C70 VanDerWaalsContact N-SG 3.37Å; N65-L89 VanDerWaalsContact CB-O 3.28Å; N65-L89 WeakPolarHBondContact CB-O 3.44Å; N65-L89 PolarHBondContact ND2-O 3.39Å; N65-K90 PolarHBondContact ND2-O 3.36Å; N65-K90 VanDerWaalsContact ND2-O 3.16Å
66E91Very high96.4Very high102 Ų10248.5 Ų48.548%0.47725%0.253SS..THydrogen-bonded Turntrans56.7-110-168.4-58.9179.2167.600111.6M1 G2 K4M1-E66 VanDerWaalsContact CA-OE1 3.27Å; M1-E66 WeakPolarHBondContact CA-OE1 3.5Å; M1-E66 PolarHBondContact N-OE1 3.42Å; G2-E66 PolarHBondContact O-N 3.07Å; K4-E66 WeakPolarHBondContact CD-O 3.36Å
67D89.9Confident96.6Very high114 Ų11445.1 Ų45.161%0.6123%0.232SC*.THydrogen-bonded Turntrans-104.92.8175.2-69.3-51.5000112.8K52 N65K52-D67 IonicContact NZ-OD1 2.85Å; K52-D67 PolarHBondContact NZ-OD1 3.45Å; N65-D67 PolarHBondContact O-N 3.01Å; N65-D67 VanDerWaalsContact O-N 3.14Å
68Q94.1Very high96.7Very high106 Ų10644.4 Ų44.450%0.49522%0.224SC..EExtended strand (participates in β ladder)trans-91.4119.8-178.6-153.7-175.36.700110.8F64 N65 C70 K90F64-Q68 CarbonylContact C-O 3.59Å; F64-Q68 VanDerWaalsContact CA-O 3.24Å; F64-Q68 WeakPolarHBondContact CA-O 3.36Å; N65-Q68 PolarHBondContact N-O 3.39Å; N65-Q68 WeakPolarHBondContact O-CB 3.26Å; N65-Q68 PolarHBondContact O-N 3.31Å; Q68-C70 PolarHBondContact O-N 3.32Å; Q68-K90 VanDerWaalsContact CD-NZ 3.27Å; Q68-K90 HydrophobicContact CG-CD 4.01Å; Q68-K90 VanDerWaalsContact NE2-NZ 3.11Å
69Y96.8Very high96.9Very high59 Ų5944.6 Ų44.623%0.23123%0.226CC..EExtended strand (participates in β ladder)trans-63.8126.3174.4-177.3-123.5000111A53 Q62 F64 G71 N72 K90A53-Y69 HydrophobicContact CB-CD2 4.19Å; A53-Y69 HydrophobicContact CB-CE2 3.89Å; Q62-Y69 PolarHBondContact OE1-OH 2.98Å; F64-Y69 HydrophobicContact CD1-CD2 4.03Å; F64-Y69 HydrophobicContact CD1-CG 4.49Å; F64-Y69 AromaticContact CE1-CD2 3.45Å; F64-Y69 HydrophobicContact CE1-CD2 3.45Å; F64-Y69 VanDerWaalsContact CE1-CD2 3.45Å; F64-Y69 AromaticContact CE1-CG 3.96Å; F64-Y69 HydrophobicContact CE1-CG 3.96Å; F64-Y69 HydrophobicContact CE2-CD2 4.04Å; F64-Y69 HydrophobicContact CE2-CE2 4.49Å; F64-Y69 AromaticContact CZ-CD2 3.47Å; F64-Y69 HydrophobicContact CZ-CD2 3.47Å; F64-Y69 VanDerWaalsContact CZ-CD2 3.47Å; F64-Y69 HydrophobicContact CZ-CE2 4.14Å; F64-Y69 HydrophobicContact CZ-CG 4.37Å; Y69-G71 VanDerWaalsContact CZ-CA 3.42Å; Y69-G71 VanDerWaalsContact OH-C 3.26Å; Y69-G71 WeakPolarHBondContact OH-CA 3.35Å; Y69-N72 PolarHBondContact OH-N 3Å; Y69-N72 VanDerWaalsContact OH-N 3.14Å; Y69-K90 PolarHBondContact O-NZ 3.47Å
70C97.4Very high96.9Very high15 Ų1543 Ų4310%0.10122%0.217CC..EExtended strand (participates in β ladder)trans-95.4-50.3175.6-61.80000110.5I63 N65 Q68 F88I63-C70 HydrophobicContact CB-CB 4.38Å; I63-C70 HydrophobicContact CG2-CB 4.13Å; I63-C70 WeakPolarHBondContact O-CB 3.27Å; I63-C70 PolarHBondContact O-N 3.42Å; N65-C70 PolarHBondContact N-SG 3.27Å; N65-C70 VanDerWaalsContact N-SG 3.37Å; Q68-C70 PolarHBondContact O-N 3.32Å; C70-F88 HydrophobicContact CB-CD1 4.3Å; C70-F88 HydrophobicContact CB-CE1 3.81Å; C70-F88 HydrophobicContact CB-CE2 4.49Å; C70-F88 HydrophobicContact CB-CZ 3.94Å; C70-F88 WeakPolarHBondContact CB-O 3.44Å; C70-F88 WeakPolarHBondContact O-CE2 3.42Å
71G97.9Very high96.9Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans163.3179.9178.400000114.5I63 Y69I63-G71 PolarHBondContact N-O 2.92Å; I63-G71 PolarHBondContact O-N 3.03Å; Y69-G71 VanDerWaalsContact CZ-CA 3.42Å; Y69-G71 VanDerWaalsContact OH-C 3.26Å; Y69-G71 WeakPolarHBondContact OH-CA 3.35Å
72N98.1Very high96.9Very high36 Ų3655.6 Ų55.619%0.19328%0.275CS..EExtended strand (participates in β ladder)trans-91.1-172.1173.867.11.7000110.6Y69 E74 M75 F76Y69-N72 PolarHBondContact OH-N 3Å; Y69-N72 VanDerWaalsContact OH-N 3.14Å; N72-E74 PolarHBondContact OD1-N 3.44Å; N72-M75 VanDerWaalsContact OD1-CG 3.26Å; N72-M75 WeakPolarHBondContact OD1-CG 3.37Å; N72-M75 PolarHBondContact OD1-N 3.09Å; N72-F76 WeakPolarHBondContact O-CB 3.34Å; N72-F76 PolarHBondContact O-N 3Å; N72-F76 VanDerWaalsContact O-N 3.13Å
73Y98.3Very high96.7Very high47 Ų4761 Ų6118%0.18430%0.303CS..Hα-helixtrans-55.5-50175.2173-102.2000113.5Q19 E22 V23 P61 M75 F76 S77Q19-Y73 HydrophobicContact CB-CD1 4.38Å; Q19-Y73 HydrophobicContact CB-CD2 3.56Å; Q19-Y73 HydrophobicContact CB-CE2 3.95Å; Q19-Y73 HydrophobicContact CB-CG 3.78Å; Q19-Y73 HydrophobicContact CG-CD1 3.67Å; Q19-Y73 HydrophobicContact CG-CD2 3.71Å; Q19-Y73 HydrophobicContact CG-CE1 3.83Å; Q19-Y73 HydrophobicContact CG-CE2 3.86Å; Q19-Y73 HydrophobicContact CG-CG 3.59Å; E22-Y73 HydrophobicContact CB-CE2 4.41Å; E22-Y73 HydrophobicContact CG-CE2 4.38Å; E22-Y73 WeakPolarHBondContact OE2-CE2 3.33Å; E22-Y73 PolarHBondContact OE2-OH 3.34Å; V23-Y73 HydrophobicContact CG2-CD2 3.98Å; P61-Y73 HydrophobicContact CG-CD2 4.45Å; Y73-M75 PolarHBondContact O-N 3.41Å; Y73-F76 WeakPolarHBondContact O-CB 3.4Å; Y73-F76 PolarHBondContact O-N 2.99Å; Y73-F76 VanDerWaalsContact O-N 3.14Å; Y73-S77 PolarHBondContact O-N 3.07Å
74E97.9Very high96.6Very high128 Ų12865.3 Ų65.360%0.59832%0.322SS*.Hα-helixtrans-59.6-49-175-64.9174.8158.700110.9N72 F76 S77 D78N72-E74 PolarHBondContact OD1-N 3.44Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.22Å; E74-S77 WeakPolarHBondContact O-CB 3.21Å; E74-S77 PolarHBondContact O-N 3.38Å; E74-S77 VanDerWaalsContact O-N 3.1Å; E74-D78 PolarHBondContact O-N 3.4Å
75M98.3Very high96.5Very high92 Ų9265.3 Ų65.345%0.45332%0.322SS..Hα-helixtrans-62.4-35.1177.9-62.6169.6177.900112.5N72 Y73 A79 F88N72-M75 VanDerWaalsContact OD1-CG 3.26Å; N72-M75 WeakPolarHBondContact OD1-CG 3.37Å; N72-M75 PolarHBondContact OD1-N 3.09Å; Y73-M75 PolarHBondContact O-N 3.41Å; M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.14Å; M75-A79 VanDerWaalsContact O-N 3.1Å; M75-F88 HydrophobicContact CB-CD2 4.46Å; M75-F88 HydrophobicContact CB-CE2 3.65Å; M75-F88 HydrophobicContact CB-CZ 4.45Å
76F98.3Very high96.4Very high1 Ų171 Ų710%0.00435%0.349CS..Hα-helixtrans-69.4-41.2174.5179.3-99.3000111.6V23 I26 L27 I63 N72 Y73 E74 A79 V80 V85 F88V23-F76 HydrophobicContact CB-CD1 4.47Å; V23-F76 HydrophobicContact CB-CE1 4.28Å; V23-F76 HydrophobicContact CG1-CD1 4.43Å; V23-F76 HydrophobicContact CG1-CE1 4.2Å; V23-F76 HydrophobicContact CG1-CZ 4.35Å; V23-F76 HydrophobicContact CG2-CD1 3.79Å; V23-F76 HydrophobicContact CG2-CE1 4.08Å; V23-F76 HydrophobicContact CG2-CG 4.45Å; I26-F76 HydrophobicContact CB-CE1 3.94Å; I26-F76 HydrophobicContact CB-CZ 3.98Å; I26-F76 HydrophobicContact CD1-CE1 3.93Å; I26-F76 HydrophobicContact CG2-CE1 3.87Å; I26-F76 HydrophobicContact CG2-CZ 3.62Å; L27-F76 HydrophobicContact CD2-CE2 3.92Å; L27-F76 HydrophobicContact CD2-CZ 4.05Å; L27-F76 HydrophobicContact CG-CE2 4.48Å; L27-F76 HydrophobicContact CG-CZ 4.21Å; I63-F76 HydrophobicContact CD1-CB 3.65Å; I63-F76 HydrophobicContact CD1-CD2 3.61Å; I63-F76 HydrophobicContact CD1-CE2 4.35Å; I63-F76 HydrophobicContact CD1-CG 3.68Å; N72-F76 WeakPolarHBondContact O-CB 3.34Å; N72-F76 PolarHBondContact O-N 3Å; N72-F76 VanDerWaalsContact O-N 3.13Å; Y73-F76 WeakPolarHBondContact O-CB 3.4Å; Y73-F76 PolarHBondContact O-N 2.99Å; Y73-F76 VanDerWaalsContact O-N 3.14Å; E74-F76 VanDerWaalsContact C-N 3.27Å; E74-F76 PolarHBondContact O-N 3.22Å; F76-A79 PolarHBondContact O-N 2.78Å; F76-V80 HydrophobicContact CD1-CG2 4.03Å; F76-V80 HydrophobicContact CE1-CG2 3.72Å; F76-V80 HydrophobicContact CE2-CG2 4.47Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 VanDerWaalsContact O-CG2 3.26Å; F76-V80 WeakPolarHBondContact O-CG2 3.25Å; F76-V80 PolarHBondContact O-N 2.61Å; F76-V85 HydrophobicContact CE2-CG1 3.86Å; F76-V85 HydrophobicContact CZ-CG1 4.46Å; F76-F88 HydrophobicContact CB-CE1 3.98Å; F76-F88 HydrophobicContact CB-CZ 3.89Å; F76-F88 AromaticContact CD2-CD1 3.79Å; F76-F88 HydrophobicContact CD2-CD1 3.79Å; F76-F88 AromaticContact CD2-CE1 3.59Å; F76-F88 HydrophobicContact CD2-CE1 3.59Å; F76-F88 HydrophobicContact CD2-CZ 4.37Å; F76-F88 HydrophobicContact CG-CE1 4.28Å
77S97.9Very high96.6Very high29 Ų2972.1 Ų72.120%0.20335%0.354CS..Hα-helixtrans-59.7-47.5175.9-168.20000110.8Y73 E74 A79 V80 E81Y73-S77 PolarHBondContact O-N 3.07Å; E74-S77 WeakPolarHBondContact O-CB 3.21Å; E74-S77 PolarHBondContact O-N 3.38Å; E74-S77 VanDerWaalsContact O-N 3.1Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 2.64Å; S77-V80 WeakPolarHBondContact O-CB 3.31Å; S77-V80 PolarHBondContact O-N 2.82Å; S77-E81 WeakPolarHBondContact O-CG 3.47Å; S77-E81 PolarHBondContact O-N 2.59Å
78D98.3Very high97Very high89 Ų8968 Ų6848%0.47633%0.33SS..Hα-helixtrans-58.2-44.7175.7-64.7-15.3000110.9E74 V80 E81 E82E74-D78 PolarHBondContact O-N 3.4Å; D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.21Å; D78-E81 PolarHBondContact O-N 3.47Å; D78-E82 WeakPolarHBondContact O-CB 3.27Å; D78-E82 WeakPolarHBondContact O-CG 3.1Å; D78-E82 PolarHBondContact O-N 3.04Å
79A97.9Very high97.1Very high9 Ų963 Ų637%0.07431%0.307CS..Hα-helixtrans-65.2-30.1176.800000113.3M75 F76 S77 D83 K84 V85 F88M75-A79 WeakPolarHBondContact O-CB 3.5Å; M75-A79 PolarHBondContact O-N 3.14Å; M75-A79 VanDerWaalsContact O-N 3.1Å; F76-A79 PolarHBondContact O-N 2.78Å; S77-A79 VanDerWaalsContact C-N 3.31Å; S77-A79 PolarHBondContact O-N 2.64Å; A79-D83 PolarHBondContact O-N 2.86Å; A79-K84 PolarHBondContact O-N 3.24Å; A79-V85 PolarHBondContact O-N 3.09Å; A79-F88 HydrophobicContact CB-CB 3.51Å; A79-F88 HydrophobicContact CB-CD2 4.05Å; A79-F88 HydrophobicContact CB-CG 3.82Å
80V97.1Very high97Very high46 Ų4663.7 Ų63.728%0.27931%0.311SS..Hα-helixtrans-70.4-45173.4170.30000110.4I26 F76 S77 D78 E82 D83 V85I26-V80 HydrophobicContact CD1-CG1 4.34Å; I26-V80 HydrophobicContact CD1-CG2 4.16Å; I26-V80 HydrophobicContact CG2-CG2 3.8Å; F76-V80 HydrophobicContact CD1-CG2 4.03Å; F76-V80 HydrophobicContact CE1-CG2 3.72Å; F76-V80 HydrophobicContact CE2-CG2 4.47Å; F76-V80 HydrophobicContact CZ-CG2 3.98Å; F76-V80 VanDerWaalsContact O-CG2 3.26Å; F76-V80 WeakPolarHBondContact O-CG2 3.25Å; F76-V80 PolarHBondContact O-N 2.61Å; S77-V80 WeakPolarHBondContact O-CB 3.31Å; S77-V80 PolarHBondContact O-N 2.82Å; D78-V80 VanDerWaalsContact C-N 3.28Å; D78-V80 PolarHBondContact O-N 3.21Å; V80-E82 VanDerWaalsContact C-N 3.27Å; V80-E82 PolarHBondContact O-N 2.79Å; V80-D83 PolarHBondContact O-N 3.46Å; V80-D83 VanDerWaalsContact O-N 3.13Å; V80-V85 HydrophobicContact CB-CG2 4.26Å; V80-V85 HydrophobicContact CG2-CG2 3.52Å
81E97.1Very high96.5Very high157 Ų15766.3 Ų66.373%0.73432%0.323SS*.Hα-helixtrans-62.2-35.6177.1-69.9-173.8-177.900112.1S77 D78 D83S77-E81 WeakPolarHBondContact O-CG 3.47Å; S77-E81 PolarHBondContact O-N 2.59Å; D78-E81 PolarHBondContact O-N 3.47Å; E81-D83 VanDerWaalsContact C-N 3.34Å
82E97.3Very high95Very high117 Ų11772.8 Ų72.855%0.54738%0.376SS..THydrogen-bonded Turntrans-84.3-1.4176.4-66.7-171.6-170.100114.5D78 V80 K84D78-E82 WeakPolarHBondContact O-CB 3.27Å; D78-E82 WeakPolarHBondContact O-CG 3.1Å; D78-E82 PolarHBondContact O-N 3.04Å; V80-E82 VanDerWaalsContact C-N 3.27Å; V80-E82 PolarHBondContact O-N 2.79Å; E82-K84 HydrophobicContact CB-CB 4.4Å; E82-K84 HydrophobicContact CB-CD 4.1Å; E82-K84 HydrophobicContact CB-CG 4.16Å; E82-K84 PolarHBondContact O-N 3.1Å; E82-K84 WeakPolarHBondContact OE2-CD 3.39Å; E82-K84 WeakPolarHBondContact OE2-CE 3.35Å; E82-K84 IonicContact OE2-NZ 2.7Å; E82-K84 PolarHBondContact OE2-NZ 3.28Å
83D94.9Very high94.8Very high120 Ų12074.6 Ų74.664%0.64239%0.385SS*.THydrogen-bonded Turntrans51.336.9-170.7-160.435.9000114.2K30 A79 V80 E81K30-D83 IonicContact NZ-OD1 2.89Å; K30-D83 PolarHBondContact NZ-OD1 2.85Å; A79-D83 PolarHBondContact O-N 2.86Å; V80-D83 PolarHBondContact O-N 3.46Å; V80-D83 VanDerWaalsContact O-N 3.13Å; E81-D83 VanDerWaalsContact C-N 3.34Å
84K96.5Very high94.7Very high91 Ų9176.1 Ų76.140%0.39640%0.396SS..  trans-110.825.3180-70.7178.8-168.7159.60113.4A79 E82 E86 Q87 F88A79-K84 PolarHBondContact O-N 3.24Å; E82-K84 HydrophobicContact CB-CB 4.4Å; E82-K84 HydrophobicContact CB-CD 4.1Å; E82-K84 HydrophobicContact CB-CG 4.16Å; E82-K84 PolarHBondContact O-N 3.1Å; E82-K84 WeakPolarHBondContact OE2-CD 3.39Å; E82-K84 WeakPolarHBondContact OE2-CE 3.35Å; E82-K84 IonicContact OE2-NZ 2.7Å; E82-K84 PolarHBondContact OE2-NZ 3.28Å; K84-E86 VanDerWaalsContact C-N 3.31Å; K84-E86 PolarHBondContact O-N 3.45Å; K84-Q87 HydrophobicContact CB-CB 4.39Å; K84-Q87 WeakPolarHBondContact O-CB 3.12Å; K84-Q87 PolarHBondContact O-N 2.95Å; K84-Q87 VanDerWaalsContact O-N 3.08Å; K84-F88 PolarHBondContact O-N 3.02Å
85V96.1Very high94.5Very high1 Ų173.2 Ų73.21%0.00639%0.385CS..Hα-helixtrans-55.5-42.9-177.2176.70000112.7K30 I32 F76 A79 V80 Q87 F88 L89K30-V85 HydrophobicContact CD-CB 4.01Å; K30-V85 HydrophobicContact CD-CG1 4.04Å; K30-V85 HydrophobicContact CD-CG2 4.12Å; I32-V85 HydrophobicContact CD1-CG1 4.07Å; F76-V85 HydrophobicContact CE2-CG1 3.86Å; F76-V85 HydrophobicContact CZ-CG1 4.46Å; A79-V85 PolarHBondContact O-N 3.09Å; V80-V85 HydrophobicContact CB-CG2 4.26Å; V80-V85 HydrophobicContact CG2-CG2 3.52Å; V85-Q87 VanDerWaalsContact C-N 3.33Å; V85-Q87 PolarHBondContact O-N 2.86Å; V85-F88 WeakPolarHBondContact O-CB 3.45Å; V85-F88 PolarHBondContact O-N 3.08Å; V85-L89 HydrophobicContact CG1-CD1 3.75Å; V85-L89 HydrophobicContact CG1-CG 4.21Å; V85-L89 WeakPolarHBondContact O-CB 3.37Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.22Å
86E93.8Very high94.2Very high132 Ų13272.1 Ų72.162%0.61738%0.381SS*.Hα-helixtrans-65.2-36.2179.2-65.2-177.2-178.100112.7K84 L89 K90 M91K84-E86 VanDerWaalsContact C-N 3.31Å; K84-E86 PolarHBondContact O-N 3.45Å; E86-L89 CarbonylContact O-C 3.53Å; E86-L89 PolarHBondContact O-N 3.43Å; E86-K90 PolarHBondContact O-N 3.28Å; E86-K90 VanDerWaalsContact O-N 3.09Å; E86-M91 PolarHBondContact O-N 3.46Å
87Q95.6Very high94Very high125 Ų12576.5 Ų76.558%0.58440%0.404SS*.Hα-helixtrans-69.7-43.5175.3-63.5-179.3-2.400111K84 V85 L89 K90K84-Q87 HydrophobicContact CB-CB 4.39Å; K84-Q87 WeakPolarHBondContact O-CB 3.12Å; K84-Q87 PolarHBondContact O-N 2.95Å; K84-Q87 VanDerWaalsContact O-N 3.08Å; V85-Q87 VanDerWaalsContact C-N 3.33Å; V85-Q87 PolarHBondContact O-N 2.86Å; Q87-L89 VanDerWaalsContact C-N 3.27Å; Q87-L89 PolarHBondContact O-N 3.05Å; Q87-K90 WeakPolarHBondContact O-CA 3.42Å; Q87-K90 PolarHBondContact O-N 3.11Å
88F96.9Very high93.7Very high28 Ų2879.7 Ų79.712%0.12342%0.418CS..Hα-helixtrans-57.4-42.9173.8169.2-90.6000111.5I63 C70 M75 F76 A79 K84 V85 K90I63-F88 HydrophobicContact CB-CE1 4.2Å; I63-F88 HydrophobicContact CB-CZ 4.5Å; I63-F88 HydrophobicContact CD1-CE1 3.78Å; I63-F88 HydrophobicContact CD1-CZ 4.09Å; I63-F88 HydrophobicContact CG2-CE1 4.15Å; C70-F88 HydrophobicContact CB-CD1 4.3Å; C70-F88 HydrophobicContact CB-CE1 3.81Å; C70-F88 HydrophobicContact CB-CE2 4.49Å; C70-F88 HydrophobicContact CB-CZ 3.94Å; C70-F88 WeakPolarHBondContact CB-O 3.44Å; C70-F88 WeakPolarHBondContact O-CE2 3.42Å; M75-F88 HydrophobicContact CB-CD2 4.46Å; M75-F88 HydrophobicContact CB-CE2 3.65Å; M75-F88 HydrophobicContact CB-CZ 4.45Å; F76-F88 HydrophobicContact CB-CE1 3.98Å; F76-F88 HydrophobicContact CB-CZ 3.89Å; F76-F88 AromaticContact CD2-CD1 3.79Å; F76-F88 HydrophobicContact CD2-CD1 3.79Å; F76-F88 AromaticContact CD2-CE1 3.59Å; F76-F88 HydrophobicContact CD2-CE1 3.59Å; F76-F88 HydrophobicContact CD2-CZ 4.37Å; F76-F88 HydrophobicContact CG-CE1 4.28Å; A79-F88 HydrophobicContact CB-CB 3.51Å; A79-F88 HydrophobicContact CB-CD2 4.05Å; A79-F88 HydrophobicContact CB-CG 3.82Å; K84-F88 PolarHBondContact O-N 3.02Å; V85-F88 WeakPolarHBondContact O-CB 3.45Å; V85-F88 PolarHBondContact O-N 3.08Å; F88-K90 PolarHBondContact O-N 3.27Å
89L96.3Very high93.4Very high0 Ų079 Ų790%041%0.413CS..THydrogen-bonded Turntrans-76.1-3176.4-65174.8000113.5V3 L27 I32 I63 N65 V85 E86 Q87 M91V3-L89 HydrophobicContact CG1-CD2 4Å; V3-L89 HydrophobicContact CG2-CB 4.5Å; V3-L89 HydrophobicContact CG2-CD1 4.26Å; V3-L89 HydrophobicContact CG2-CD2 4.27Å; L27-L89 HydrophobicContact CD2-CD1 3.9Å; I32-L89 HydrophobicContact CD1-CD1 3.55Å; I32-L89 HydrophobicContact CG2-CD1 4.09Å; I63-L89 HydrophobicContact CG2-CD2 3.5Å; I63-L89 VanDerWaalsContact CG2-CD2 3.5Å; N65-L89 VanDerWaalsContact CB-O 3.28Å; N65-L89 WeakPolarHBondContact CB-O 3.44Å; N65-L89 PolarHBondContact ND2-O 3.39Å; V85-L89 HydrophobicContact CG1-CD1 3.75Å; V85-L89 HydrophobicContact CG1-CG 4.21Å; V85-L89 WeakPolarHBondContact O-CB 3.37Å; V85-L89 WeakPolarHBondContact O-CG 3.49Å; V85-L89 PolarHBondContact O-N 3.22Å; E86-L89 CarbonylContact O-C 3.53Å; E86-L89 PolarHBondContact O-N 3.43Å; Q87-L89 VanDerWaalsContact C-N 3.27Å; Q87-L89 PolarHBondContact O-N 3.05Å; L89-M91 HydrophobicContact CB-CG 3.84Å; L89-M91 HydrophobicContact CB-SD 4Å; L89-M91 HydrophobicContact CD1-SD 4Å; L89-M91 PolarHBondContact O-N 2.91Å
90K94.8Very high93.1Very high75 Ų7584.4 Ų84.433%0.32644%0.439SS..THydrogen-bonded Turntrans57.439.9178.9-49.4-180-178.81760112.1N65 Q68 Y69 E86 Q87 F88N65-K90 PolarHBondContact ND2-O 3.36Å; N65-K90 VanDerWaalsContact ND2-O 3.16Å; Q68-K90 VanDerWaalsContact CD-NZ 3.27Å; Q68-K90 HydrophobicContact CG-CD 4.01Å; Q68-K90 VanDerWaalsContact NE2-NZ 3.11Å; Y69-K90 PolarHBondContact O-NZ 3.47Å; E86-K90 PolarHBondContact O-N 3.28Å; E86-K90 VanDerWaalsContact O-N 3.09Å; Q87-K90 WeakPolarHBondContact O-CA 3.42Å; Q87-K90 PolarHBondContact O-N 3.11Å; F88-K90 PolarHBondContact O-N 3.27Å
91M87Confident92.7Very high70 Ų7087.6 Ų87.635%0.34545%0.453SS..  trans-92.5-6.4177.2-63.7-178.871.900112.7V3 I32 E86 L89V3-M91 HydrophobicContact CG2-SD 4.23Å; I32-M91 HydrophobicContact CG2-SD 4.26Å; E86-M91 PolarHBondContact O-N 3.46Å; L89-M91 HydrophobicContact CB-CG 3.84Å; L89-M91 HydrophobicContact CB-SD 4Å; L89-M91 HydrophobicContact CD1-SD 4Å; L89-M91 PolarHBondContact O-N 2.91Å
92A66.5Low92.3Very high135 Ų13581.3 Ų81.3100%1.11643%0.427SS*.  trans-86.80179.700000112.9

Retrieved 92 of 92 residues in 697.7 ms (Link to these results)

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