A0A060XX10_ONCMY Loading...

ER membrane protein complex subunit 8

AlphaFold DB , UniProt , Accession A0A060XX10, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene emc8, Length 206 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
1M43.1Very low82Confident206 Ų20659.9 Ų59.9100%1.01528%0.28SS*.  0131.60-122.5166.7-179.200106.7M3M1-M3 PolarHBondContact O-N 2.79Å
2R53Low83.3Confident209 Ų20955 Ų5579%0.78926%0.257SS*.  trans-68.1119.8179.5-71.3178.2179.7166.1-1.5108.2S4R2-S4 PolarHBondContact O-N 2.6Å
3M60.8Low84.4Confident76 Ų7650.8 Ų50.837%0.37424%0.237SC..  trans-80.2106.8169-67.1-162.2-81.800106.7M1 E117M1-M3 PolarHBondContact O-N 2.79Å; M3-E117 WeakPolarHBondContact CB-OE1 3.43Å; M3-E117 WeakPolarHBondContact CE-OE1 3.4Å
4S76.8Confident85.4Confident37 Ų3747.1 Ų47.126%0.25922%0.22SC..  trans-101.1139.6-178.157.40000110.2R2 P47 I48R2-S4 PolarHBondContact O-N 2.6Å; S4-P47 VanDerWaalsContact O-CA 3.26Å; S4-P47 WeakPolarHBondContact O-CA 3.43Å; S4-P47 WeakPolarHBondContact O-CB 3.38Å; S4-I48 PolarHBondContact O-N 3.15Å
5I88.3Confident86.2Confident3 Ų344 Ų442%0.01521%0.205CC..EExtended strand (participates in β ladder)trans-70.7143.4168.1-79.6165000110.3L7 I48 C50 A86 E117 A119I5-L7 HydrophobicContact CG2-CD2 4.49Å; I5-I48 CarbonylContact C-O 3.54Å; I5-I48 VanDerWaalsContact CA-O 3.27Å; I5-I48 WeakPolarHBondContact CA-O 3.25Å; I5-I48 HydrophobicContact CG1-CB 3.84Å; I5-I48 HydrophobicContact CG1-CG2 4.02Å; I5-C50 HydrophobicContact CG2-CB 4.32Å; I5-C50 WeakPolarHBondContact CG2-SG 3.49Å; I5-A86 WeakPolarHBondContact CD1-O 3.14Å; I5-E117 VanDerWaalsContact CD1-O 3.31Å; I5-E117 WeakPolarHBondContact CD1-O 3.29Å; I5-A119 HydrophobicContact CB-CB 4.27Å; I5-A119 HydrophobicContact CD1-CB 3.36Å; I5-A119 HydrophobicContact CG1-CB 4.31Å
6K93.8Very high86.9Confident51 Ų5141.3 Ų41.322%0.22219%0.193CC..EExtended strand (participates in β ladder)trans-116.3150.9167.3-77.2-177.5167.1-118.20110.4P47 I48 L49 C50 D155 S156 F157K6-P47 HydrophobicContact CD-CB 4.1Å; K6-P47 HydrophobicContact CD-CG 3.76Å; K6-P47 HydrophobicContact CG-CB 4.07Å; K6-P47 HydrophobicContact CG-CG 4.29Å; K6-I48 PolarHBondContact N-O 3.15Å; K6-L49 HydrophobicContact CB-CD1 3.98Å; K6-C50 PolarHBondContact O-N 2.92Å; K6-D155 WeakPolarHBondContact CE-O 3.47Å; K6-D155 PolarHBondContact NZ-O 2.68Å; K6-S156 CarbonylContact C-O 3.43Å; K6-S156 VanDerWaalsContact CA-O 3.24Å; K6-S156 WeakPolarHBondContact CA-O 3.33Å; K6-F157 PolarHBondContact NZ-O 3.46Å
7L96.2Very high87.6Confident1 Ų138.8 Ų38.81%0.00518%0.181CC..EExtended strand (participates in β ladder)trans-105.8137.1177.5-59.4176.7000111.2I5 M15 L31 C50 I121 L137 S156 F157 D158I5-L7 HydrophobicContact CG2-CD2 4.49Å; L7-M15 HydrophobicContact CD1-CE 4.19Å; L7-L31 HydrophobicContact CD2-CD2 4.25Å; L7-C50 HydrophobicContact CD2-CB 3.82Å; L7-I121 HydrophobicContact CD1-CD1 4.01Å; L7-I121 HydrophobicContact CD2-CD1 3.93Å; L7-I121 HydrophobicContact CG-CD1 4.39Å; L7-L137 HydrophobicContact CD1-CD1 3.39Å; L7-S156 PolarHBondContact N-O 3.3Å; L7-F157 HydrophobicContact CB-CD1 4.01Å; L7-F157 HydrophobicContact CB-CE1 4.18Å; L7-F157 HydrophobicContact CD1-CE1 4.05Å; L7-F157 HydrophobicContact CD1-CZ 4.46Å; L7-F157 CarbonylContact O-C 3.55Å; L7-F157 WeakPolarHBondContact O-CA 3.48Å; L7-D158 PolarHBondContact O-N 2.71Å
8T97.3Very high88.2Confident21 Ų2136.7 Ų36.713%0.12917%0.171CC..  trans-76.4163.4164550000111.4Q10 A11 Y12 L49 C50 V51T8-Q10 VanDerWaalsContact C-N 3.28Å; T8-Q10 PolarHBondContact O-N 3.44Å; T8-A11 PolarHBondContact O-N 3.33Å; T8-A11 PolarHBondContact OG1-N 3.03Å; T8-Y12 PolarHBondContact O-N 3.23Å; T8-Y12 VanDerWaalsContact O-N 3.11Å; T8-L49 HydrophobicContact CG2-CD1 3.73Å; T8-L49 HydrophobicContact CG2-CD2 3.91Å; T8-L49 HydrophobicContact CG2-CG 3.76Å; T8-C50 WeakPolarHBondContact CG2-O 3.48Å; T8-C50 PolarHBondContact N-O 3.02Å; T8-C50 PolarHBondContact OG1-O 3.46Å; T8-V51 HydrophobicContact CG2-CG1 4.4Å; T8-V51 WeakPolarHBondContact OG1-CA 3.36Å; T8-V51 PolarHBondContact OG1-O 3.36Å
9T97.4Very high88.7Confident9 Ų935.3 Ų35.36%0.05517%0.167CC..Hα-helixtrans-51.3-48.1169.9-55.80000111.4A11 Y12 C13 E162 A163 I166 V202T9-A11 PolarHBondContact O-N 3.28Å; T9-Y12 PolarHBondContact O-N 3.01Å; T9-C13 WeakPolarHBondContact O-CB 3.43Å; T9-C13 PolarHBondContact O-N 3.26Å; T9-C13 PolarHBondContact O-SG 3.18Å; T9-E162 WeakPolarHBondContact CB-OE1 3.26Å; T9-E162 PolarHBondContact OG1-OE1 3.45Å; T9-A163 HydrophobicContact CG2-CB 4.29Å; T9-I166 HydrophobicContact CG2-CB 3.87Å; T9-I166 HydrophobicContact CG2-CD1 3.86Å; T9-I166 HydrophobicContact CG2-CG1 4.31Å; T9-I166 HydrophobicContact CG2-CG2 4.09Å; T9-V202 HydrophobicContact CG2-CG1 4.08Å
10Q98.1Very high89.1Confident46 Ų4634.5 Ų34.522%0.21517%0.166CC..Hα-helixtrans-59.4-48.3-179-172.4-179.9-69.700112.9T8 Y12 C13 K14 V51 D52 N199 V202T8-Q10 VanDerWaalsContact C-N 3.28Å; T8-Q10 PolarHBondContact O-N 3.44Å; Q10-Y12 VanDerWaalsContact C-N 3.33Å; Q10-Y12 PolarHBondContact O-N 3.33Å; Q10-C13 PolarHBondContact O-N 3.49Å; Q10-K14 PolarHBondContact O-N 2.87Å; Q10-K14 VanDerWaalsContact O-N 3.11Å; Q10-V51 PolarHBondContact NE2-O 3Å; Q10-D52 PolarHBondContact NE2-OD1 2.79Å; Q10-D52 PolarHBondContact NE2-OD2 3.2Å; Q10-N199 WeakPolarHBondContact CG-OD1 3.35Å; Q10-N199 PolarHBondContact NE2-OD1 3Å; Q10-N199 PolarHBondContact OE1-OD1 3.41Å; Q10-V202 HydrophobicContact CB-CG1 4.37Å
11A97.9Very high89.5Confident0 Ų035 Ų350%017%0.168CC..Hα-helixtrans-61.4-42.5179.400000111.7T8 T9 M15 C53T8-A11 PolarHBondContact O-N 3.33Å; T8-A11 PolarHBondContact OG1-N 3.03Å; T9-A11 PolarHBondContact O-N 3.28Å; A11-M15 WeakPolarHBondContact O-CB 3.26Å; A11-M15 PolarHBondContact O-N 3.31Å; A11-C53 HydrophobicContact CB-CB 4.21Å; A11-C53 VanDerWaalsContact O-CB 3.29Å; A11-C53 WeakPolarHBondContact O-CB 3.13Å
12Y97.6Very high92Very high1 Ų126.4 Ų26.40%0.00412%0.124CC..Hα-helixtrans-67.1-46.2177.9-175.5-113.5000112.4T8 T9 Q10 K14 M15 L16 L137 F157 W160 A163 T167T8-Y12 PolarHBondContact O-N 3.23Å; T8-Y12 VanDerWaalsContact O-N 3.11Å; T9-Y12 PolarHBondContact O-N 3.01Å; Q10-Y12 VanDerWaalsContact C-N 3.33Å; Q10-Y12 PolarHBondContact O-N 3.33Å; Y12-K14 PolarHBondContact O-N 3.13Å; Y12-M15 HydrophobicContact CD2-CE 3.93Å; Y12-M15 PolarHBondContact O-N 3.11Å; Y12-L16 HydrophobicContact CD1-CD2 4Å; Y12-L16 HydrophobicContact CD2-CD2 4.01Å; Y12-L16 HydrophobicContact CE1-CD2 3.36Å; Y12-L16 HydrophobicContact CE2-CD1 4.37Å; Y12-L16 HydrophobicContact CE2-CD2 3.4Å; Y12-L16 HydrophobicContact CG-CD2 4.3Å; Y12-L16 PolarHBondContact O-N 3.36Å; Y12-L16 VanDerWaalsContact O-N 3.12Å; Y12-L16 VanDerWaalsContact OH-CD2 3.23Å; Y12-L16 WeakPolarHBondContact OH-CD2 3.31Å; Y12-L137 HydrophobicContact CD2-CD1 4.01Å; Y12-L137 HydrophobicContact CE2-CD1 3.96Å; Y12-L137 HydrophobicContact CE2-CD2 4.36Å; Y12-L137 HydrophobicContact CE2-CG 4.17Å; Y12-F157 HydrophobicContact CD1-CE1 4.33Å; Y12-F157 AromaticContact CD2-CE1 3.55Å; Y12-F157 HydrophobicContact CD2-CE1 3.55Å; Y12-F157 HydrophobicContact CD2-CZ 4.06Å; Y12-F157 AromaticContact CE2-CE1 3.93Å; Y12-F157 HydrophobicContact CE2-CE1 3.93Å; Y12-F157 HydrophobicContact CE2-CZ 4.01Å; Y12-F157 AromaticContact CG-CE1 3.75Å; Y12-F157 HydrophobicContact CG-CE1 3.75Å; Y12-W160 HydrophobicContact CD1-CZ3 4.41Å; Y12-W160 HydrophobicContact CE1-CH2 4.06Å; Y12-W160 AromaticContact CE1-CZ3 3.7Å; Y12-W160 HydrophobicContact CE1-CZ3 3.7Å; Y12-W160 HydrophobicContact CE2-CZ3 4.27Å; Y12-W160 AromaticContact CZ-CH2 3.87Å; Y12-W160 AromaticContact CZ-CZ3 3.6Å; Y12-W160 WeakPolarHBondContact OH-CH2 3.36Å; Y12-A163 HydrophobicContact CD1-CB 4.16Å; Y12-T167 HydrophobicContact CD1-CG2 4.48Å; Y12-T167 WeakPolarHBondContact CD1-OG1 3.33Å; Y12-T167 HydrophobicContact CE1-CG2 4.36Å
13C97.2Very high93.9Very high0 Ų021 Ų210%012%0.116CC..Hα-helixtrans-56.1-54178.8-70.20000111.2T9 Q10 M15 L16 L17 T167 L170 V202T9-C13 WeakPolarHBondContact O-CB 3.43Å; T9-C13 PolarHBondContact O-N 3.26Å; T9-C13 PolarHBondContact O-SG 3.18Å; Q10-C13 PolarHBondContact O-N 3.49Å; C13-M15 VanDerWaalsContact C-N 3.31Å; C13-M15 PolarHBondContact O-N 3.18Å; C13-L16 PolarHBondContact O-N 3.01Å; C13-L17 WeakPolarHBondContact O-CB 3.3Å; C13-L17 WeakPolarHBondContact O-CG 3.42Å; C13-L17 PolarHBondContact O-N 2.94Å; C13-T167 PolarHBondContact SG-OG1 3.48Å; C13-L170 HydrophobicContact CB-CD1 4.11Å; C13-V202 HydrophobicContact CB-CG2 4.21Å
14K98.4Very high95.3Very high0 Ų023.9 Ų23.90%013%0.129CC..Hα-helixtrans-60.4-40.4-178.2-74.9-174.4-174.8171.60112.8Q10 Y12 L16 L17 H18 D52 C53 L179 T194 N195 I198 N199Q10-K14 PolarHBondContact O-N 2.87Å; Q10-K14 VanDerWaalsContact O-N 3.11Å; Y12-K14 PolarHBondContact O-N 3.13Å; K14-L16 PolarHBondContact O-N 3.41Å; K14-L17 PolarHBondContact O-N 3.41Å; K14-H18 WeakPolarHBondContact O-CB 3.38Å; K14-H18 PolarHBondContact O-N 3.34Å; K14-D52 WeakPolarHBondContact CD-OD1 3.37Å; K14-D52 WeakPolarHBondContact CE-OD1 3.38Å; K14-D52 VanDerWaalsContact NZ-CG 3.28Å; K14-D52 IonicContact NZ-OD1 2.72Å; K14-D52 PolarHBondContact NZ-OD1 2.89Å; K14-D52 IonicContact NZ-OD2 3.47Å; K14-D52 PolarHBondContact NZ-OD2 3.07Å; K14-C53 HydrophobicContact CB-CB 4.07Å; K14-C53 WeakPolarHBondContact CD-O 3Å; K14-L179 HydrophobicContact CB-CD1 4.38Å; K14-L179 HydrophobicContact CG-CD1 4.32Å; K14-T194 PolarHBondContact NZ-O 3.31Å; K14-N195 HydrophobicContact CD-CB 4.47Å; K14-I198 HydrophobicContact CG-CG2 4.22Å; K14-N199 WeakPolarHBondContact CE-OD1 3.4Å; K14-N199 PolarHBondContact NZ-ND2 2.94Å; K14-N199 PolarHBondContact NZ-OD1 3.45Å
15M97.8Very high96.1Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-60.2-45178.1-179.817052.800111.7L7 A11 Y12 C13 H18 A19 Y89 I121 V123 L137L7-M15 HydrophobicContact CD1-CE 4.19Å; A11-M15 WeakPolarHBondContact O-CB 3.26Å; A11-M15 PolarHBondContact O-N 3.31Å; Y12-M15 HydrophobicContact CD2-CE 3.93Å; Y12-M15 PolarHBondContact O-N 3.11Å; C13-M15 VanDerWaalsContact C-N 3.31Å; C13-M15 PolarHBondContact O-N 3.18Å; M15-H18 PolarHBondContact O-N 3.39Å; M15-A19 PolarHBondContact O-N 3.13Å; M15-Y89 HydrophobicContact CG-CD1 4.4Å; M15-Y89 HydrophobicContact CG-CD2 3.61Å; M15-Y89 HydrophobicContact CG-CE2 3.82Å; M15-Y89 HydrophobicContact CG-CG 3.91Å; M15-Y89 HydrophobicContact SD-CD1 4.35Å; M15-Y89 HydrophobicContact SD-CD2 3.89Å; M15-Y89 HydrophobicContact SD-CG 3.7Å; M15-I121 HydrophobicContact CE-CG2 4.47Å; M15-I121 HydrophobicContact SD-CG2 4.09Å; M15-V123 HydrophobicContact CG-CG2 3.99Å; M15-V123 HydrophobicContact SD-CG2 3.87Å; M15-L137 HydrophobicContact CE-CD1 3.6Å; M15-L137 HydrophobicContact CE-CD2 3.47Å; M15-L137 VanDerWaalsContact CE-CD2 3.47Å; M15-L137 HydrophobicContact CE-CG 4.19Å; M15-L137 HydrophobicContact SD-CD2 4.16Å
16L97.6Very high96.4Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-77-34.4179.5-95.931.4000113.6Y12 C13 K14 H18 A19 A20 V123 F128 I136 T167Y12-L16 HydrophobicContact CD1-CD2 4Å; Y12-L16 HydrophobicContact CD2-CD2 4.01Å; Y12-L16 HydrophobicContact CE1-CD2 3.36Å; Y12-L16 HydrophobicContact CE2-CD1 4.37Å; Y12-L16 HydrophobicContact CE2-CD2 3.4Å; Y12-L16 HydrophobicContact CG-CD2 4.3Å; Y12-L16 PolarHBondContact O-N 3.36Å; Y12-L16 VanDerWaalsContact O-N 3.12Å; Y12-L16 VanDerWaalsContact OH-CD2 3.23Å; Y12-L16 WeakPolarHBondContact OH-CD2 3.31Å; C13-L16 PolarHBondContact O-N 3.01Å; K14-L16 PolarHBondContact O-N 3.41Å; L16-H18 VanDerWaalsContact C-N 3.26Å; L16-H18 PolarHBondContact O-N 2.93Å; L16-A19 PolarHBondContact O-N 3.4Å; L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.12Å; L16-A20 PolarHBondContact O-N 3.04Å; L16-V123 HydrophobicContact CD1-CG1 4.07Å; L16-F128 HydrophobicContact CB-CE2 4.39Å; L16-F128 HydrophobicContact CG-CE2 4.11Å; L16-I136 HydrophobicContact CD1-CD1 4.07Å; L16-I136 HydrophobicContact CD1-CG1 4.3Å; L16-I136 HydrophobicContact CD2-CD1 4.5Å; L16-I136 HydrophobicContact CG-CD1 4.28Å; L16-T167 HydrophobicContact CB-CG2 4.06Å; L16-T167 HydrophobicContact CD2-CG2 4.05Å
17L98.4Very high96.6Very high0 Ų021.6 Ų21.60%012%0.119CC..Hα-helixtrans-60.9-39.2170.3-68.7174.6000110.6C13 K14 A20 K21 L170 L171 Y176 L179 I198C13-L17 WeakPolarHBondContact O-CB 3.3Å; C13-L17 WeakPolarHBondContact O-CG 3.42Å; C13-L17 PolarHBondContact O-N 2.94Å; K14-L17 PolarHBondContact O-N 3.41Å; L17-A20 PolarHBondContact O-N 2.9Å; L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 3.04Å; L17-L170 HydrophobicContact CD1-CB 4.4Å; L17-L170 HydrophobicContact CD1-CD1 4.3Å; L17-L170 HydrophobicContact CD2-CB 4.15Å; L17-L171 HydrophobicContact CD2-CD2 3.91Å; L17-L171 HydrophobicContact CD2-CG 4.27Å; L17-Y176 HydrophobicContact CD2-CD1 4.34Å; L17-Y176 VanDerWaalsContact O-CB 3.23Å; L17-Y176 WeakPolarHBondContact O-CB 3.35Å; L17-L179 HydrophobicContact CB-CD1 4.06Å; L17-I198 HydrophobicContact CD1-CD1 4.33Å; L17-I198 HydrophobicContact CD1-CG2 3.96Å
18H98.3Very high96.6Very high0 Ų021.5 Ų21.50%012%0.119CC..Hα-helixtrans-63.3-48.4176.1-171.4-159.8000112.1K14 M15 L16 A20 K21 Y22 N28 P55 F57 Y89 L179 D181K14-H18 WeakPolarHBondContact O-CB 3.38Å; K14-H18 PolarHBondContact O-N 3.34Å; M15-H18 PolarHBondContact O-N 3.39Å; L16-H18 VanDerWaalsContact C-N 3.26Å; L16-H18 PolarHBondContact O-N 2.93Å; H18-A20 VanDerWaalsContact C-N 3.29Å; H18-A20 PolarHBondContact O-N 3.41Å; H18-K21 PolarHBondContact O-N 3.36Å; H18-Y22 AromaticContact CD2-CD2 3.7Å; H18-Y22 AromaticContact CD2-CE2 3.75Å; H18-Y22 AromaticContact NE2-CD2 3.83Å; H18-Y22 AromaticContact NE2-CE2 3.79Å; H18-Y22 PolarHBondContact O-N 2.89Å; H18-N28 PolarHBondContact CE1-O 3.27Å; H18-N28 VanDerWaalsContact CE1-O 3.23Å; H18-N28 PolarHBondContact ND1-O 3.11Å; H18-P55 HydrophobicContact CB-CB 4.22Å; H18-P55 HydrophobicContact CB-CG 4.28Å; H18-F57 PolarHBondContact CE1-O 3Å; H18-Y89 AromaticContact ND1-CZ 3.82Å; H18-Y89 PolarHBondContact ND1-OH 3.41Å; H18-L179 HydrophobicContact CB-CD2 3.66Å; H18-D181 IonicContact NE2-OD2 3Å
19A96.7Very high96.6Very high11 Ų1120.5 Ų20.59%0.09111%0.113CC..Hα-helixtrans-61.5-37.5175.500000112.4M15 L16 Y22 V27M15-A19 PolarHBondContact O-N 3.13Å; L16-A19 PolarHBondContact O-N 3.4Å; A19-Y22 CarbonylContact O-C 3.59Å; A19-V27 HydrophobicContact CB-CG2 4.09Å
20A97Very high96.7Very high18 Ų1820.1 Ų20.115%0.14911%0.11CC..Hα-helixtrans-70.2-31.5177.200000113.2L16 L17 H18 P23 F128 L171 Y176L16-A20 VanDerWaalsContact O-CB 3.25Å; L16-A20 WeakPolarHBondContact O-CB 3.12Å; L16-A20 PolarHBondContact O-N 3.04Å; L17-A20 PolarHBondContact O-N 2.9Å; H18-A20 VanDerWaalsContact C-N 3.29Å; H18-A20 PolarHBondContact O-N 3.41Å; A20-P23 WeakPolarHBondContact O-CD 3.35Å; A20-F128 HydrophobicContact CB-CE2 4.45Å; A20-F128 HydrophobicContact CB-CZ 3.86Å; A20-L171 HydrophobicContact CB-CD2 3.61Å; A20-Y176 HydrophobicContact CB-CD1 4Å; A20-Y176 HydrophobicContact CB-CG 4.07Å
21K97.7Very high96.6Very high46 Ų4617.9 Ų17.920%0.210%0.1CC..Hα-helixtrans-65.7-39.3176.9-170.4179.4-178.2-175.50111.7L17 H18 P23 Y176 L179 N184L17-K21 WeakPolarHBondContact O-CB 3.39Å; L17-K21 PolarHBondContact O-N 3.04Å; H18-K21 PolarHBondContact O-N 3.36Å; K21-P23 VanDerWaalsContact C-CD 3.48Å; K21-P23 WeakPolarHBondContact O-CD 3.39Å; K21-Y176 VanDerWaalsContact CD-O 3.25Å; K21-Y176 WeakPolarHBondContact CD-O 3.4Å; K21-Y176 WeakPolarHBondContact CG-O 3.1Å; K21-L179 PolarHBondContact NZ-O 2.69Å; K21-N184 PolarHBondContact NZ-OD1 3.4Å
22Y96.4Very high96.6Very high26 Ų2617.9 Ų17.910%0.10210%0.1CC..SBendtrans-124.166.6-178.7-49.6-78.4000112.5H18 A19 H24 C25 V27 H58 D181 N184H18-Y22 AromaticContact CD2-CD2 3.7Å; H18-Y22 AromaticContact CD2-CE2 3.75Å; H18-Y22 AromaticContact NE2-CD2 3.83Å; H18-Y22 AromaticContact NE2-CE2 3.79Å; H18-Y22 PolarHBondContact O-N 2.89Å; A19-Y22 CarbonylContact O-C 3.59Å; Y22-H24 PolarHBondContact O-N 3.1Å; Y22-C25 PolarHBondContact O-N 2.72Å; Y22-C25 VanDerWaalsContact O-N 3.13Å; Y22-V27 HydrophobicContact CD2-CG1 4Å; Y22-V27 HydrophobicContact CG-CG1 4.43Å; Y22-H58 HydrophobicContact CD1-CB 4.17Å; Y22-H58 AromaticContact CD1-CD2 3.8Å; Y22-H58 AromaticContact CD1-CG 3.9Å; Y22-H58 HydrophobicContact CD2-CB 3.53Å; Y22-H58 AromaticContact CD2-CG 3.81Å; Y22-H58 HydrophobicContact CE1-CB 4.41Å; Y22-H58 AromaticContact CE1-CD2 3.58Å; Y22-H58 AromaticContact CE1-CE1 3.85Å; Y22-H58 AromaticContact CE1-CG 3.72Å; Y22-H58 AromaticContact CE1-ND1 3.87Å; Y22-H58 AromaticContact CE1-NE2 3.66Å; Y22-H58 HydrophobicContact CE2-CB 3.79Å; Y22-H58 AromaticContact CE2-CG 3.61Å; Y22-H58 AromaticContact CE2-ND1 3.48Å; Y22-H58 WeakPolarHBondContact CE2-ND1 3.46Å; Y22-H58 HydrophobicContact CG-CB 3.71Å; Y22-H58 AromaticContact CG-CG 3.93Å; Y22-H58 AromaticContact CZ-CD2 3.84Å; Y22-H58 AromaticContact CZ-CE1 3.48Å; Y22-H58 VanDerWaalsContact CZ-CE1 3.48Å; Y22-H58 AromaticContact CZ-CG 3.54Å; Y22-H58 AromaticContact CZ-ND1 3.29Å; Y22-H58 VanDerWaalsContact CZ-ND1 3.29Å; Y22-H58 AromaticContact CZ-NE2 3.8Å; Y22-H58 PolarHBondContact OH-CE1 3.49Å; Y22-H58 PolarHBondContact OH-ND1 2.85Å; Y22-D181 WeakPolarHBondContact CE2-OD2 3.42Å; Y22-D181 VanDerWaalsContact CZ-OD2 3.3Å; Y22-D181 PolarHBondContact OH-OD2 3.12Å; Y22-N184 PolarHBondContact OH-ND2 3.35Å; Y22-N184 PolarHBondContact OH-OD1 2.59Å
23P92.3Very high96.5Very high96 Ų9618 Ų1862%0.62310%0.101SC*.THydrogen-bonded Turntrans-69.3-13.3-17129.6-36.6000114.1A20 K21A20-P23 WeakPolarHBondContact O-CD 3.35Å; K21-P23 VanDerWaalsContact C-CD 3.48Å; K21-P23 WeakPolarHBondContact O-CD 3.39Å
24H90.2Very high96.3Very high136 Ų13623.9 Ų23.963%0.6313%0.128SC*.THydrogen-bonded Turntrans-103.21-179.158.4-83.6000113Y22Y22-H24 PolarHBondContact O-N 3.1Å
25C93.4Very high95.7Very high30 Ų3030.6 Ų30.620%0.20316%0.158CC..SBendtrans-121.2157.2-177.9-69.10000110.2Y22Y22-C25 PolarHBondContact O-N 2.72Å; Y22-C25 VanDerWaalsContact O-N 3.13Å
26A94.8Very high94.7Very high11 Ų1134.7 Ų34.79%0.09118%0.176CC..  trans-67.114516000000109H58 G59 L61 A91 E93A26-H58 CarbonylContact O-C 3.51Å; A26-H58 WeakPolarHBondContact O-CA 3.43Å; A26-G59 PolarHBondContact O-N 3.21Å; A26-L61 HydrophobicContact CB-CD1 3.43Å; A26-L61 VanDerWaalsContact CB-CD1 3.43Å; A26-L61 HydrophobicContact CB-CD2 4.28Å; A26-L61 HydrophobicContact CB-CG 3.75Å; A26-L61 WeakPolarHBondContact O-CD2 3.36Å; A26-A91 CarbonylContact C-O 3.59Å; A26-A91 WeakPolarHBondContact CA-O 3.37Å; A26-A91 WeakPolarHBondContact CB-O 3.37Å; A26-E93 HydrophobicContact CB-CB 4.08Å
27V97Very high93.2Very high1 Ų143.8 Ų43.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-130.4150.7173.1-64.60000110.3A19 Y22 F57 H58 Q90 A91A19-V27 HydrophobicContact CB-CG2 4.09Å; Y22-V27 HydrophobicContact CD2-CG1 4Å; Y22-V27 HydrophobicContact CG-CG1 4.43Å; V27-F57 WeakPolarHBondContact CA-O 3.38Å; V27-H58 HydrophobicContact CG1-CB 4.02Å; V27-Q90 CarbonylContact O-C 3.6Å; V27-Q90 VanDerWaalsContact O-CA 3.32Å; V27-Q90 WeakPolarHBondContact O-CA 3.47Å; V27-A91 HydrophobicContact CG2-CB 3.62Å; V27-A91 PolarHBondContact N-O 3.06Å; V27-A91 PolarHBondContact O-N 3.38Å
28N97.3Very high91Very high0 Ų053.2 Ų53.20%026%0.26CS..EExtended strand (participates in β ladder)trans-142.6171.4172.769.32.2000113.6H18 L56 F57 L61 Y88 Y89 Q90H18-N28 PolarHBondContact CE1-O 3.27Å; H18-N28 VanDerWaalsContact CE1-O 3.23Å; H18-N28 PolarHBondContact ND1-O 3.11Å; N28-L56 PolarHBondContact O-N 3.36Å; N28-L56 WeakPolarHBondContact OD1-CB 3.38Å; N28-F57 PolarHBondContact N-O 3.48Å; N28-F57 WeakPolarHBondContact OD1-CB 3.24Å; N28-F57 PolarHBondContact OD1-N 2.77Å; N28-F57 PolarHBondContact OD1-O 2.85Å; N28-L61 HydrophobicContact CB-CD1 4.12Å; N28-L61 HydrophobicContact CB-CD2 4.12Å; N28-L61 PolarHBondContact ND2-O 3.16Å; N28-L61 VanDerWaalsContact ND2-O 3.09Å; N28-Y88 HydrophobicContact CB-CE2 3.7Å; N28-Y88 WeakPolarHBondContact CB-OH 3.4Å; N28-Y88 PolarHBondContact ND2-OH 3.19Å; N28-Y89 VanDerWaalsContact CA-O 3.25Å; N28-Y89 WeakPolarHBondContact CA-O 3.27Å; N28-Y89 WeakPolarHBondContact CB-O 3.49Å; N28-Y89 PolarHBondContact O-OH 2.96Å; N28-Q90 HydrophobicContact CB-CB 4.44Å; N28-Q90 HydrophobicContact CB-CG 4.49Å
29G97.7Very high88.7Confident0 Ų058.5 Ų58.50%028%0.283CS..EExtended strand (participates in β ladder)trans-179.5-169.9169.600000113.9I54 Y88 Y89G29-I54 CarbonylContact C-O 3.5Å; G29-I54 WeakPolarHBondContact CA-O 3.27Å; G29-Y88 CarbonylContact O-C 3.51Å; G29-Y88 WeakPolarHBondContact O-CA 3.31Å; G29-Y88 WeakPolarHBondContact O-CD2 3.32Å; G29-Y89 VanDerWaalsContact C-CD1 3.4Å; G29-Y89 PolarHBondContact N-O 3.03Å; G29-Y89 WeakPolarHBondContact O-CD1 3.29Å; G29-Y89 PolarHBondContact O-N 3.45Å
30L98Very high86.2Confident0 Ų067 Ų670%032%0.318CS..EExtended strand (participates in β ladder)trans-112.1145.3-174.4-59.7173.5000111.2C53 I54 L56 L71 I74 I85 G87 Y88 I111L30-C53 CarbonylContact O-C 3.51Å; L30-C53 WeakPolarHBondContact O-CA 3.49Å; L30-I54 PolarHBondContact N-O 3.4Å; L30-I54 PolarHBondContact O-N 3.47Å; L30-L56 HydrophobicContact CD1-CD1 4.12Å; L30-L56 HydrophobicContact CD1-CD2 4.46Å; L30-L56 HydrophobicContact CD2-CD1 4.19Å; L30-L56 HydrophobicContact CG-CD1 3.75Å; L30-L56 HydrophobicContact CG-CG 4.21Å; L30-L71 HydrophobicContact CD1-CD2 3.74Å; L30-L71 HydrophobicContact CD2-CD2 4.01Å; L30-I74 HydrophobicContact CD1-CB 4.39Å; L30-I74 HydrophobicContact CD1-CD1 3.77Å; L30-I74 HydrophobicContact CD1-CG2 4.03Å; L30-I85 HydrophobicContact CB-CG2 4.35Å; L30-I85 HydrophobicContact CD1-CD1 4.21Å; L30-I85 HydrophobicContact CD1-CG2 4.41Å; L30-I85 HydrophobicContact CD2-CG2 4.13Å; L30-G87 WeakPolarHBondContact CA-O 3.42Å; L30-Y88 HydrophobicContact CD2-CD2 4.26Å; L30-I111 HydrophobicContact CD2-CD1 3.76Å
31L97.8Very high83.7Confident0 Ų075.3 Ų75.30%035%0.351CS..EExtended strand (participates in β ladder)trans-99.2135.7170.7-60.3169.1000108.7L7 C50 C53 A86 G87 Y89 I121L7-L31 HydrophobicContact CD2-CD2 4.25Å; L31-C50 HydrophobicContact CB-CB 4.44Å; L31-C53 HydrophobicContact CD2-CB 4.35Å; L31-A86 PolarHBondContact O-N 2.9Å; L31-G87 PolarHBondContact N-O 2.91Å; L31-G87 PolarHBondContact O-N 2.86Å; L31-Y89 HydrophobicContact CD2-CD1 4.4Å; L31-I121 HydrophobicContact CD1-CD1 3.44Å; L31-I121 VanDerWaalsContact CD1-CD1 3.44Å; L31-I121 HydrophobicContact CD1-CG1 3.78Å
32V97Very high81.1Confident0 Ų080.6 Ų80.60%038%0.381CS..EExtended strand (participates in β ladder)trans-118.1133.5-175.4-176.80000109.1C50 V51 D52 I54 W77 Y83 V84V32-C50 CarbonylContact O-C 3.02Å; V32-C50 VanDerWaalsContact O-CA 3.29Å; V32-C50 WeakPolarHBondContact O-CA 3.21Å; V32-V51 PolarHBondContact O-N 3.39Å; V32-D52 HydrophobicContact CB-CB 4.29Å; V32-D52 PolarHBondContact N-O 3.13Å; V32-D52 PolarHBondContact O-N 2.99Å; V32-I54 HydrophobicContact CG2-CD1 3.58Å; V32-I54 HydrophobicContact CG2-CG1 4.04Å; V32-W77 HydrophobicContact CG1-CZ3 4.34Å; V32-Y83 VanDerWaalsContact CG1-CB 3.43Å; V32-Y83 HydrophobicContact CG1-CD1 4.06Å; V32-Y83 HydrophobicContact CG1-CD2 4.28Å; V32-Y83 HydrophobicContact CG1-CG 3.69Å; V32-V84 WeakPolarHBondContact CA-O 3.25Å
33A95.7Very high78.8Confident2 Ų281.4 Ų81.42%0.01739%0.391CS..EExtended strand (participates in β ladder)trans-119.8156.1174.400000110.7K35 I48 L49 Y83 V84 A86A33-K35 PolarHBondContact O-N 2.88Å; A33-I48 HydrophobicContact CB-CG2 3.73Å; A33-L49 VanDerWaalsContact CB-O 3.31Å; A33-L49 WeakPolarHBondContact CB-O 3.27Å; A33-Y83 CarbonylContact O-C 3.46Å; A33-Y83 VanDerWaalsContact O-CA 3.27Å; A33-Y83 WeakPolarHBondContact O-CA 3.39Å; A33-V84 HydrophobicContact CB-CG1 4.27Å; A33-V84 PolarHBondContact N-O 3.1Å; A33-V84 PolarHBondContact O-N 2.88Å; A33-A86 HydrophobicContact CB-CB 3.54Å
34E92.4Very high76.9Confident124 Ų12483.4 Ų83.458%0.57939%0.391SS*.EExtended strand (participates in β ladder)trans-63.5134.9167.5-75.1-174.1-174.800110.8Q36 V51 Y83E34-Q36 PolarHBondContact O-N 3.38Å; E34-V51 HydrophobicContact CG-CG1 4.1Å; E34-V51 HydrophobicContact CG-CG2 4.23Å; E34-Y83 HydrophobicContact CG-CD1 4.08Å; E34-Y83 HydrophobicContact CG-CE1 3.79Å
35K85.8Confident75.4Confident142 Ų14281 Ų8162%0.61739%0.39SS*.  trans-68.1105.8173.2-172.3174.5-176.9174.80108.1A33 K37 K82A33-K35 PolarHBondContact O-N 2.88Å; K35-K37 PolarHBondContact O-N 2.84Å; K35-K82 WeakPolarHBondContact CB-O 3.43Å; K35-K82 PolarHBondContact N-O 3.23Å
36Q77.9Confident74.4Confident85 Ų8582.7 Ų82.740%0.39740%0.4SS..  trans-58.8126.9173.6-62-161.824.300108.8E34 E38E34-Q36 PolarHBondContact O-N 3.38Å; Q36-E38 PolarHBondContact O-N 3.27Å
37K64.4Low73.8Confident191 Ų19184.2 Ų84.283%0.8341%0.409SS*.  trans-57.5133.4165.1-68.4-179.4-179.41760106.8K35 K39K35-K37 PolarHBondContact O-N 2.84Å; K37-K39 PolarHBondContact O-N 3Å
38E53.6Low73.5Confident199 Ų19984.5 Ų84.593%0.9341%0.41SS*.  trans-39.196.6179.3-69.6-178.4166.800110.7Q36Q36-E38 PolarHBondContact O-N 3.27Å
39K48.6Very low73.4Confident110 Ų11087.3 Ų87.348%0.47843%0.425SS..  trans-75.7134.4177.1-78.7-178.1-177.9162.10106.6K37 S43K37-K39 PolarHBondContact O-N 3Å; K39-S43 WeakPolarHBondContact CB-OG 3.31Å; K39-S43 WeakPolarHBondContact CD-OG 3.49Å
40K44.4Very low73.3Confident190 Ų19087.3 Ų87.383%0.82643%0.425SS*.  trans-46.5142.3166.2-73.9178.5174.5178.20108.8D42K40-D42 PolarHBondContact O-N 3Å
41K44.9Very low73.2Confident192 Ų19288.4 Ų88.484%0.83543%0.431SS*.THydrogen-bonded Turntrans-44.94.5-174.3-81.9178.8170.4178.60119
42D43.4Very low73.2Confident157 Ų15788.8 Ų88.884%0.8443%0.433SS*.THydrogen-bonded Turntrans-104.82.5-175.5-68.9-35.1000114.9K40 H44K40-D42 PolarHBondContact O-N 3Å; D42-H44 PolarHBondContact O-N 2.67Å
43S48.7Very low73.2Confident43 Ų4388.8 Ų88.830%0.30143%0.433SS..  trans-95.537.7-17873.80000115.1K39 S45K39-S43 WeakPolarHBondContact CB-OG 3.31Å; K39-S43 WeakPolarHBondContact CD-OG 3.49Å; S43-S45 PolarHBondContact O-N 3.15Å
44H52.1Low73.3Confident138 Ų13888.7 Ų88.764%0.63943%0.433SS*.THydrogen-bonded Turntrans-68.820.9-176.5-79.8-40.9000116D42D42-H44 PolarHBondContact O-N 2.67Å
45S59.5Low73.6Confident87 Ų8782.8 Ų82.861%0.60841%0.405SS*.THydrogen-bonded Turntrans-138.82.7-177.399.80000116.3S43S43-S45 PolarHBondContact O-N 3.15Å
46T72.4Confident74.1Confident65 Ų6576 Ų7640%0.39938%0.376SS..PPolyproline II helixtrans-87.4121.2178.5-44.20000109.7
47P82.1Confident75Confident43 Ų4372.3 Ų72.328%0.27936%0.358SS..PPolyproline II helixtrans-60.7148.6174.326.6-34.1000110.8S4 K6 L49S4-P47 VanDerWaalsContact O-CA 3.26Å; S4-P47 WeakPolarHBondContact O-CA 3.43Å; S4-P47 WeakPolarHBondContact O-CB 3.38Å; K6-P47 HydrophobicContact CD-CB 4.1Å; K6-P47 HydrophobicContact CD-CG 3.76Å; K6-P47 HydrophobicContact CG-CB 4.07Å; K6-P47 HydrophobicContact CG-CG 4.29Å; P47-L49 PolarHBondContact O-N 2.9Å
48I90Very high76.4Confident7 Ų765.5 Ų65.54%0.03633%0.329CS..EExtended strand (participates in β ladder)trans-77.2123.1172.8-69.6154.2000108S4 I5 K6 A33 A86 F115 E117S4-I48 PolarHBondContact O-N 3.15Å; I5-I48 CarbonylContact C-O 3.54Å; I5-I48 VanDerWaalsContact CA-O 3.27Å; I5-I48 WeakPolarHBondContact CA-O 3.25Å; I5-I48 HydrophobicContact CG1-CB 3.84Å; I5-I48 HydrophobicContact CG1-CG2 4.02Å; K6-I48 PolarHBondContact N-O 3.15Å; A33-I48 HydrophobicContact CB-CG2 3.73Å; I48-A86 HydrophobicContact CG2-CB 4.41Å; I48-F115 HydrophobicContact CD1-CE1 3.75Å; I48-F115 HydrophobicContact CD1-CZ 3.47Å; I48-F115 VanDerWaalsContact CD1-CZ 3.47Å; I48-F115 HydrophobicContact CG1-CZ 4.2Å; I48-F115 HydrophobicContact CG2-CZ 4.24Å; I48-E117 HydrophobicContact CD1-CB 3.23Å; I48-E117 HydrophobicContact CD1-CG 3.92Å; I48-E117 WeakPolarHBondContact CD1-OE1 3.3Å
49L94Very high78.1Confident58 Ų5857.5 Ų57.530%0.30430%0.301SS..EExtended strand (participates in β ladder)trans-91.7115.6177.2-173.963.5000109.8K6 T8 A33 P47 V51 D158K6-L49 HydrophobicContact CB-CD1 3.98Å; T8-L49 HydrophobicContact CG2-CD1 3.73Å; T8-L49 HydrophobicContact CG2-CD2 3.91Å; T8-L49 HydrophobicContact CG2-CG 3.76Å; A33-L49 VanDerWaalsContact CB-O 3.31Å; A33-L49 WeakPolarHBondContact CB-O 3.27Å; P47-L49 PolarHBondContact O-N 2.9Å; L49-V51 HydrophobicContact CD2-CG1 4.29Å; L49-V51 HydrophobicContact CG-CG1 4.19Å; L49-V51 PolarHBondContact O-N 3.03Å; L49-D158 HydrophobicContact CD1-CB 4.04Å
50C96.3Very high79.9Confident0 Ų057.4 Ų57.40%031%0.309CS..EExtended strand (participates in β ladder)trans-78.6106.8168.1-70.10000109I5 K6 L7 T8 L31 V32I5-C50 HydrophobicContact CG2-CB 4.32Å; I5-C50 WeakPolarHBondContact CG2-SG 3.49Å; K6-C50 PolarHBondContact O-N 2.92Å; L7-C50 HydrophobicContact CD2-CB 3.82Å; T8-C50 WeakPolarHBondContact CG2-O 3.48Å; T8-C50 PolarHBondContact N-O 3.02Å; T8-C50 PolarHBondContact OG1-O 3.46Å; L31-C50 HydrophobicContact CB-CB 4.44Å; V32-C50 CarbonylContact O-C 3.02Å; V32-C50 VanDerWaalsContact O-CA 3.29Å; V32-C50 WeakPolarHBondContact O-CA 3.21Å
51V96.9Very high81.4Confident24 Ų2449 Ų4915%0.14527%0.273CS..EExtended strand (participates in β ladder)trans-86.4-21.8-173.9-61.80000112.9T8 Q10 V32 E34 L49 Y83T8-V51 HydrophobicContact CG2-CG1 4.4Å; T8-V51 WeakPolarHBondContact OG1-CA 3.36Å; T8-V51 PolarHBondContact OG1-O 3.36Å; Q10-V51 PolarHBondContact NE2-O 3Å; V32-V51 PolarHBondContact O-N 3.39Å; E34-V51 HydrophobicContact CG-CG1 4.1Å; E34-V51 HydrophobicContact CG-CG2 4.23Å; L49-V51 HydrophobicContact CD2-CG1 4.29Å; L49-V51 HydrophobicContact CG-CG1 4.19Å; L49-V51 PolarHBondContact O-N 3.03Å; V51-Y83 HydrophobicContact CG2-CD1 4Å; V51-Y83 HydrophobicContact CG2-CE1 3.68Å
52D97.1Very high82.3Confident8 Ų841.8 Ų41.84%0.04325%0.249CC..EExtended strand (participates in β ladder)trans-149.1167.6177.4-154.86000112.4Q10 K14 V32Q10-D52 PolarHBondContact NE2-OD1 2.79Å; Q10-D52 PolarHBondContact NE2-OD2 3.2Å; K14-D52 WeakPolarHBondContact CD-OD1 3.37Å; K14-D52 WeakPolarHBondContact CE-OD1 3.38Å; K14-D52 VanDerWaalsContact NZ-CG 3.28Å; K14-D52 IonicContact NZ-OD1 2.72Å; K14-D52 PolarHBondContact NZ-OD1 2.89Å; K14-D52 IonicContact NZ-OD2 3.47Å; K14-D52 PolarHBondContact NZ-OD2 3.07Å; V32-D52 HydrophobicContact CB-CB 4.29Å; V32-D52 PolarHBondContact N-O 3.13Å; V32-D52 PolarHBondContact O-N 2.99Å
53C96.3Very high83.9Confident0 Ų039.4 Ų39.40%024%0.236CC..EExtended strand (participates in β ladder)trans-133.3131.9176.9166.40000108.9A11 K14 L30 L31 P55 Y89A11-C53 HydrophobicContact CB-CB 4.21Å; A11-C53 VanDerWaalsContact O-CB 3.29Å; A11-C53 WeakPolarHBondContact O-CB 3.13Å; K14-C53 HydrophobicContact CB-CB 4.07Å; K14-C53 WeakPolarHBondContact CD-O 3Å; L30-C53 CarbonylContact O-C 3.51Å; L30-C53 WeakPolarHBondContact O-CA 3.49Å; L31-C53 HydrophobicContact CD2-CB 4.35Å; C53-P55 WeakPolarHBondContact O-CD 3.41Å; C53-Y89 WeakPolarHBondContact SG-CE1 3.31Å
54I98.3Very high85.4Confident0 Ų040 Ų400%024%0.243CC..EExtended strand (participates in β ladder)trans-110107.8176.5-61163.8000108.5G29 L30 V32 L56 I74 W77 W193G29-I54 CarbonylContact C-O 3.5Å; G29-I54 WeakPolarHBondContact CA-O 3.27Å; L30-I54 PolarHBondContact N-O 3.4Å; L30-I54 PolarHBondContact O-N 3.47Å; V32-I54 HydrophobicContact CG2-CD1 3.58Å; V32-I54 HydrophobicContact CG2-CG1 4.04Å; I54-L56 PolarHBondContact O-N 3.47Å; I54-I74 HydrophobicContact CB-CD1 4.42Å; I54-I74 HydrophobicContact CD1-CB 4.41Å; I54-I74 HydrophobicContact CD1-CD1 4.28Å; I54-I74 HydrophobicContact CD1-CG1 4.19Å; I54-I74 HydrophobicContact CD1-CG2 3.39Å; I54-I74 HydrophobicContact CG2-CD1 3.69Å; I54-I74 HydrophobicContact CG2-CG1 4.41Å; I54-W77 HydrophobicContact CD1-CE3 4.36Å; I54-W77 HydrophobicContact CD1-CZ3 4.12Å; I54-W193 HydrophobicContact CD1-CE3 4.17Å; I54-W193 HydrophobicContact CD1-CH2 4.5Å; I54-W193 HydrophobicContact CD1-CZ3 3.55Å; I54-W193 HydrophobicContact CG1-CE3 4.21Å; I54-W193 HydrophobicContact CG1-CZ3 4.04Å; I54-W193 HydrophobicContact CG2-CE3 3.61Å; I54-W193 HydrophobicContact CG2-CZ3 4.11Å
55P98.2Very high87.1Confident0 Ų037.5 Ų37.50%024%0.24CC..EExtended strand (participates in β ladder)trans-60126169.9-22.935.7000111.4H18 C53 Y89 L179 D181 F182H18-P55 HydrophobicContact CB-CB 4.22Å; H18-P55 HydrophobicContact CB-CG 4.28Å; C53-P55 WeakPolarHBondContact O-CD 3.41Å; P55-Y89 WeakPolarHBondContact CA-OH 3.31Å; P55-L179 HydrophobicContact CB-CD2 4.43Å; P55-L179 HydrophobicContact CG-CD1 4.16Å; P55-L179 HydrophobicContact CG-CD2 4.07Å; P55-L179 HydrophobicContact CG-CG 4.33Å; P55-D181 HydrophobicContact CB-CB 3.67Å; P55-F182 PolarHBondContact O-N 3.05Å; P55-F182 VanDerWaalsContact O-N 3.1Å
56L97.1Very high88.5Confident0 Ų037.7 Ų37.70%023%0.232CC..EExtended strand (participates in β ladder)trans-99.3-79.8-179.7-74.5-175.8000111.2N28 L30 I54 L67 A70 I74 F182 D183N28-L56 PolarHBondContact O-N 3.36Å; N28-L56 WeakPolarHBondContact OD1-CB 3.38Å; L30-L56 HydrophobicContact CD1-CD1 4.12Å; L30-L56 HydrophobicContact CD1-CD2 4.46Å; L30-L56 HydrophobicContact CD2-CD1 4.19Å; L30-L56 HydrophobicContact CG-CD1 3.75Å; L30-L56 HydrophobicContact CG-CG 4.21Å; I54-L56 PolarHBondContact O-N 3.47Å; L56-L67 HydrophobicContact CD1-CD1 3.96Å; L56-A70 HydrophobicContact CD2-CB 3.77Å; L56-I74 HydrophobicContact CD2-CD1 3.46Å; L56-I74 VanDerWaalsContact CD2-CD1 3.46Å; L56-F182 HydrophobicContact CD2-CB 3.96Å; L56-F182 HydrophobicContact CD2-CD2 4.48Å; L56-F182 HydrophobicContact CD2-CG 4.2Å; L56-F182 WeakPolarHBondContact O-CA 3.44Å; L56-F182 WeakPolarHBondContact O-CB 3.23Å; L56-F182 PolarHBondContact O-N 3.41Å; L56-D183 PolarHBondContact O-N 3.15Å; L56-D183 VanDerWaalsContact O-N 3.11Å
57F96.5Very high89.3Confident6 Ų635.5 Ų35.53%0.02622%0.218CC..EExtended strand (participates in β ladder)trans-129.5157.5-167.2-50.9-61.9000112H18 V27 N28 L61 M66 L67 A70 F182 D183 L186H18-F57 PolarHBondContact CE1-O 3Å; V27-F57 WeakPolarHBondContact CA-O 3.38Å; N28-F57 PolarHBondContact N-O 3.48Å; N28-F57 WeakPolarHBondContact OD1-CB 3.24Å; N28-F57 PolarHBondContact OD1-N 2.77Å; N28-F57 PolarHBondContact OD1-O 2.85Å; F57-L61 HydrophobicContact CB-CD2 4.22Å; F57-L61 WeakPolarHBondContact O-CD2 3.21Å; F57-M66 HydrophobicContact CE1-CB 4.11Å; F57-M66 HydrophobicContact CZ-CB 4.01Å; F57-L67 HydrophobicContact CE2-CB 4.12Å; F57-L67 HydrophobicContact CE2-CD1 3.98Å; F57-A70 HydrophobicContact CZ-CB 3.88Å; F57-F182 HydrophobicContact CE1-CB 4.33Å; F57-F182 HydrophobicContact CE1-CD1 4.02Å; F57-F182 HydrophobicContact CZ-CD1 4.36Å; F57-D183 WeakPolarHBondContact CA-OD2 3.36Å; F57-D183 WeakPolarHBondContact CB-OD2 3.33Å; F57-D183 VanDerWaalsContact CD1-OD1 3.31Å; F57-D183 WeakPolarHBondContact CD1-OD1 3.46Å; F57-L186 HydrophobicContact CE1-CD1 4.42Å
58H95.2Very high89.7Confident48 Ų4839.8 Ų39.822%0.22223%0.234CC..EExtended strand (participates in β ladder)trans-129.8142.8172.458.9-88.7000111.5Y22 A26 V27 T60 D181 D183Y22-H58 HydrophobicContact CD1-CB 4.17Å; Y22-H58 AromaticContact CD1-CD2 3.8Å; Y22-H58 AromaticContact CD1-CG 3.9Å; Y22-H58 HydrophobicContact CD2-CB 3.53Å; Y22-H58 AromaticContact CD2-CG 3.81Å; Y22-H58 HydrophobicContact CE1-CB 4.41Å; Y22-H58 AromaticContact CE1-CD2 3.58Å; Y22-H58 AromaticContact CE1-CE1 3.85Å; Y22-H58 AromaticContact CE1-CG 3.72Å; Y22-H58 AromaticContact CE1-ND1 3.87Å; Y22-H58 AromaticContact CE1-NE2 3.66Å; Y22-H58 HydrophobicContact CE2-CB 3.79Å; Y22-H58 AromaticContact CE2-CG 3.61Å; Y22-H58 AromaticContact CE2-ND1 3.48Å; Y22-H58 WeakPolarHBondContact CE2-ND1 3.46Å; Y22-H58 HydrophobicContact CG-CB 3.71Å; Y22-H58 AromaticContact CG-CG 3.93Å; Y22-H58 AromaticContact CZ-CD2 3.84Å; Y22-H58 AromaticContact CZ-CE1 3.48Å; Y22-H58 VanDerWaalsContact CZ-CE1 3.48Å; Y22-H58 AromaticContact CZ-CG 3.54Å; Y22-H58 AromaticContact CZ-ND1 3.29Å; Y22-H58 VanDerWaalsContact CZ-ND1 3.29Å; Y22-H58 AromaticContact CZ-NE2 3.8Å; Y22-H58 PolarHBondContact OH-CE1 3.49Å; Y22-H58 PolarHBondContact OH-ND1 2.85Å; A26-H58 CarbonylContact O-C 3.51Å; A26-H58 WeakPolarHBondContact O-CA 3.43Å; V27-H58 HydrophobicContact CG1-CB 4.02Å; H58-T60 PolarHBondContact O-N 2.97Å; H58-D181 IonicContact CE1-OD1 2.58Å; H58-D181 IonicContact CE1-OD2 2.69Å; H58-D181 PolarHBondContact CE1-OD2 3.08Å; H58-D181 IonicContact CG-OD2 3.27Å; H58-D181 IonicContact ND1-OD1 2.61Å; H58-D181 IonicContact ND1-OD2 3.53Å; H58-D181 PolarHBondContact ND1-OD2 3.16Å; H58-D183 VanDerWaalsContact CE1-CB 3.49Å; H58-D183 WeakPolarHBondContact CE1-CB 3.5Å; H58-D183 IonicContact CE1-OD2 3.82Å; H58-D183 IonicContact CG-OD2 2.78Å; H58-D183 PolarHBondContact N-OD2 2.91Å; H58-D183 IonicContact ND1-OD2 2.97Å
59G89.1Confident89.8Confident32 Ų3242.6 Ų42.633%0.3325%0.251SS..SBendtrans80.5-96.2-176.200000111.9A26 L61A26-G59 PolarHBondContact O-N 3.21Å; G59-L61 PolarHBondContact O-N 3.09Å; G59-L61 VanDerWaalsContact O-N 3.16Å
60T85Confident89.8Confident107 Ų10739.9 Ų39.966%0.65624%0.237SC*.SBendtrans-89.182.2-175.8-52.70000111.2H58 A62 L63H58-T60 PolarHBondContact O-N 2.97Å; T60-A62 PolarHBondContact O-N 2.95Å; T60-L63 HydrophobicContact CG2-CD2 4.19Å; T60-L63 HydrophobicContact CG2-CG 4.13Å
61L77.3Confident89.7Confident15 Ų1541.5 Ų41.58%0.07925%0.245CC..THydrogen-bonded Turntrans-62.1-9-166.2-64.4-171.5000118.4A26 N28 F57 G59 Q90A26-L61 HydrophobicContact CB-CD1 3.43Å; A26-L61 VanDerWaalsContact CB-CD1 3.43Å; A26-L61 HydrophobicContact CB-CD2 4.28Å; A26-L61 HydrophobicContact CB-CG 3.75Å; A26-L61 WeakPolarHBondContact O-CD2 3.36Å; N28-L61 HydrophobicContact CB-CD1 4.12Å; N28-L61 HydrophobicContact CB-CD2 4.12Å; N28-L61 PolarHBondContact ND2-O 3.16Å; N28-L61 VanDerWaalsContact ND2-O 3.09Å; F57-L61 HydrophobicContact CB-CD2 4.22Å; F57-L61 WeakPolarHBondContact O-CD2 3.21Å; G59-L61 PolarHBondContact O-N 3.09Å; G59-L61 VanDerWaalsContact O-N 3.16Å; L61-Q90 HydrophobicContact CD1-CG 3.77Å
62A62.8Low89.6Confident39 Ų3944.6 Ų44.632%0.32227%0.265SS..THydrogen-bonded Turntrans-150.749-164.800000114.8T60 A64 V103T60-A62 PolarHBondContact O-N 2.95Å; A62-A64 PolarHBondContact O-N 3.21Å; A62-A64 VanDerWaalsContact O-N 3.1Å; A62-V103 HydrophobicContact CB-CB 4.16Å; A62-V103 HydrophobicContact CB-CG1 3.51Å; A62-V103 HydrophobicContact CB-CG2 3.52Å
63L76.4Confident89.5Confident107 Ų10748.1 Ų48.156%0.5628%0.283SS*.  trans-72102.1157.7-61.7-179.8000107.4T60 P65 M66 L67T60-L63 HydrophobicContact CG2-CD2 4.19Å; T60-L63 HydrophobicContact CG2-CG 4.13Å; L63-P65 WeakPolarHBondContact O-CD 3.39Å; L63-M66 PolarHBondContact O-N 2.81Å; L63-L67 PolarHBondContact O-N 2.89Å
64A80.5Confident89.5Confident56 Ų5648.1 Ų48.146%0.46328%0.283SS..Hα-helixtrans-42.9-41.6-173.500000114.6A62 M66 L67 E68A62-A64 PolarHBondContact O-N 3.21Å; A62-A64 VanDerWaalsContact O-N 3.1Å; A64-M66 PolarHBondContact O-N 2.93Å; A64-L67 PolarHBondContact O-N 3Å; A64-E68 WeakPolarHBondContact O-CG 3.43Å; A64-E68 PolarHBondContact O-N 2.97Å
65P87.4Confident89.4Confident86 Ų8650.8 Ų50.856%0.55830%0.297SS*.Hα-helixtrans-60.4-43.1178.2-24.135.3000113.9L63 E68 V69L63-P65 WeakPolarHBondContact O-CD 3.39Å; P65-E68 PolarHBondContact O-N 3.18Å; P65-V69 WeakPolarHBondContact O-CG2 3.31Å; P65-V69 PolarHBondContact O-N 2.96Å; P65-V69 VanDerWaalsContact O-N 3.13Å
66M89.6Confident89.3Confident90 Ų9053.9 Ų53.944%0.44332%0.317SS..Hα-helixtrans-71.6-36.7-176.8-62-53.1176.800111.3F57 L63 A64 V69 A70 L186F57-M66 HydrophobicContact CE1-CB 4.11Å; F57-M66 HydrophobicContact CZ-CB 4.01Å; L63-M66 PolarHBondContact O-N 2.81Å; A64-M66 PolarHBondContact O-N 2.93Å; M66-V69 PolarHBondContact O-N 2.92Å; M66-A70 WeakPolarHBondContact O-CB 3.44Å; M66-A70 PolarHBondContact O-N 3.2Å; M66-L186 HydrophobicContact SD-CD1 4.05Å
67L89.6Confident89.4Confident20 Ų2056.3 Ų56.311%0.10533%0.326CS..Hα-helixtrans-64.6-41.5174.7179.265.5000112.1L56 F57 L63 A64 A70 L71 V107L56-L67 HydrophobicContact CD1-CD1 3.96Å; F57-L67 HydrophobicContact CE2-CB 4.12Å; F57-L67 HydrophobicContact CE2-CD1 3.98Å; L63-L67 PolarHBondContact O-N 2.89Å; A64-L67 PolarHBondContact O-N 3Å; L67-A70 PolarHBondContact O-N 3.23Å; L67-L71 HydrophobicContact CD1-CD1 4.13Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.39Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.62Å; L67-V107 HydrophobicContact CD2-CG1 4.49Å; L67-V107 HydrophobicContact CD2-CG2 3.47Å; L67-V107 VanDerWaalsContact CD2-CG2 3.47Å
68E90.1Very high89.4Confident132 Ų13256 Ų5662%0.61732%0.324SS*.Hα-helixtrans-62.9-42176.9-74.9176-168.800112A64 P65 T72A64-E68 WeakPolarHBondContact O-CG 3.43Å; A64-E68 PolarHBondContact O-N 2.97Å; P65-E68 PolarHBondContact O-N 3.18Å; E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 3.48Å; E68-T72 PolarHBondContact O-OG1 3.47Å
69V92.8Very high89.3Confident67 Ų6760.1 Ų60.141%0.40634%0.341SS..Hα-helixtrans-62.2-49.2175.1170.90000110.6P65 M66 L71 T72 L73P65-V69 WeakPolarHBondContact O-CG2 3.31Å; P65-V69 PolarHBondContact O-N 2.96Å; P65-V69 VanDerWaalsContact O-N 3.13Å; M66-V69 PolarHBondContact O-N 2.92Å; V69-L71 PolarHBondContact O-N 2.91Å; V69-T72 PolarHBondContact O-N 3.02Å; V69-L73 HydrophobicContact CG1-CD1 3.79Å; V69-L73 WeakPolarHBondContact O-CG 3.42Å; V69-L73 PolarHBondContact O-N 2.87Å
70A93.9Very high89.7Confident0 Ų065.4 Ų65.40%036%0.358CS..Hα-helixtrans-59.8-48.6179.500000112L56 F57 M66 L67 T72 L73 I74 F182L56-A70 HydrophobicContact CD2-CB 3.77Å; F57-A70 HydrophobicContact CZ-CB 3.88Å; M66-A70 WeakPolarHBondContact O-CB 3.44Å; M66-A70 PolarHBondContact O-N 3.2Å; L67-A70 PolarHBondContact O-N 3.23Å; A70-T72 VanDerWaalsContact C-N 3.3Å; A70-T72 PolarHBondContact O-N 2.95Å; A70-L73 PolarHBondContact O-N 3.4Å; A70-I74 HydrophobicContact CB-CD1 4.49Å; A70-I74 VanDerWaalsContact O-CB 3.3Å; A70-I74 WeakPolarHBondContact O-CB 3.46Å; A70-I74 WeakPolarHBondContact O-CD1 3.18Å; A70-I74 VanDerWaalsContact O-CG1 3.25Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.02Å; A70-F182 HydrophobicContact CB-CD1 3.64Å; A70-F182 HydrophobicContact CB-CD2 4.5Å; A70-F182 HydrophobicContact CB-CE1 3.54Å; A70-F182 HydrophobicContact CB-CE2 4.42Å; A70-F182 HydrophobicContact CB-CG 4.13Å; A70-F182 HydrophobicContact CB-CZ 3.96Å
71L93.2Very high90.2Very high34 Ų3463.9 Ų63.918%0.17835%0.345CS..Hα-helixtrans-59-41.6177.7-75.2170.2000111.9L30 L67 V69 D75 I85L30-L71 HydrophobicContact CD1-CD2 3.74Å; L30-L71 HydrophobicContact CD2-CD2 4.01Å; L67-L71 HydrophobicContact CD1-CD1 4.13Å; L67-L71 HydrophobicContact CD1-CG 4.15Å; L67-L71 HydrophobicContact CG-CD1 3.94Å; L67-L71 HydrophobicContact CG-CG 4.39Å; L67-L71 WeakPolarHBondContact O-CB 3.35Å; L67-L71 VanDerWaalsContact O-CG 3.3Å; L67-L71 WeakPolarHBondContact O-CG 3.3Å; L67-L71 PolarHBondContact O-N 2.62Å; V69-L71 PolarHBondContact O-N 2.91Å; L71-D75 WeakPolarHBondContact O-CB 3.42Å; L71-D75 PolarHBondContact O-N 2.89Å; L71-I85 HydrophobicContact CD2-CD1 4.28Å
72T94.8Very high91Very high90 Ų9070.9 Ų70.955%0.55238%0.375SS*.Hα-helixtrans-66.3-44.4179.8-57.60000112.1E68 V69 A70 T76E68-T72 WeakPolarHBondContact O-CB 3.32Å; E68-T72 PolarHBondContact O-N 3.48Å; E68-T72 PolarHBondContact O-OG1 3.47Å; V69-T72 PolarHBondContact O-N 3.02Å; A70-T72 VanDerWaalsContact C-N 3.3Å; A70-T72 PolarHBondContact O-N 2.95Å; T72-T76 PolarHBondContact O-N 3.11Å; T72-T76 VanDerWaalsContact O-N 3.13Å; T72-T76 PolarHBondContact O-OG1 3.48Å
73L95.9Very high92.6Very high82 Ų8272.2 Ų72.243%0.42937%0.372SS..Hα-helixtrans-68.1-44.8179.8-71.6172.1000111.5V69 A70 T76 W77 F182V69-L73 HydrophobicContact CG1-CD1 3.79Å; V69-L73 WeakPolarHBondContact O-CG 3.42Å; V69-L73 PolarHBondContact O-N 2.87Å; A70-L73 PolarHBondContact O-N 3.4Å; L73-T76 PolarHBondContact O-N 3.32Å; L73-W77 PolarHBondContact O-N 3.19Å; L73-F182 HydrophobicContact CB-CZ 4.44Å; L73-F182 HydrophobicContact CD1-CZ 3.78Å
74I96.7Very high93.5Very high0 Ų068.7 Ų68.70%036%0.355CS..Hα-helixtrans-67.7-39.1179-67.8166.7000111.2L30 I54 L56 A70 T76 W77 C78 I85 F182 W193L30-I74 HydrophobicContact CD1-CB 4.39Å; L30-I74 HydrophobicContact CD1-CD1 3.77Å; L30-I74 HydrophobicContact CD1-CG2 4.03Å; I54-I74 HydrophobicContact CB-CD1 4.42Å; I54-I74 HydrophobicContact CD1-CB 4.41Å; I54-I74 HydrophobicContact CD1-CD1 4.28Å; I54-I74 HydrophobicContact CD1-CG1 4.19Å; I54-I74 HydrophobicContact CD1-CG2 3.39Å; I54-I74 HydrophobicContact CG2-CD1 3.69Å; I54-I74 HydrophobicContact CG2-CG1 4.41Å; L56-I74 HydrophobicContact CD2-CD1 3.46Å; L56-I74 VanDerWaalsContact CD2-CD1 3.46Å; A70-I74 HydrophobicContact CB-CD1 4.49Å; A70-I74 VanDerWaalsContact O-CB 3.3Å; A70-I74 WeakPolarHBondContact O-CB 3.46Å; A70-I74 WeakPolarHBondContact O-CD1 3.18Å; A70-I74 VanDerWaalsContact O-CG1 3.25Å; A70-I74 WeakPolarHBondContact O-CG1 3.49Å; A70-I74 PolarHBondContact O-N 3.02Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.02Å; I74-W77 PolarHBondContact O-N 2.92Å; I74-C78 WeakPolarHBondContact O-CB 3.19Å; I74-C78 PolarHBondContact O-N 2.96Å; I74-C78 PolarHBondContact O-SG 3.33Å; I74-I85 HydrophobicContact CG2-CD1 4.13Å; I74-I85 HydrophobicContact CG2-CG1 4.2Å; I74-F182 HydrophobicContact CD1-CD2 4.45Å; I74-W193 HydrophobicContact CG1-CE3 4.41Å; I74-W193 HydrophobicContact CG1-CH2 3.9Å; I74-W193 HydrophobicContact CG1-CZ2 4.32Å; I74-W193 HydrophobicContact CG1-CZ3 3.97Å
75D95.6Very high94.3Very high55 Ų5566.9 Ų66.929%0.29434%0.338SS..Hα-helixtrans-62.9-38.8175.6-178.851.9000111.6L71 C78 K79 I85L71-D75 WeakPolarHBondContact O-CB 3.42Å; L71-D75 PolarHBondContact O-N 2.89Å; D75-C78 PolarHBondContact O-N 3.04Å; D75-K79 VanDerWaalsContact O-CG 3.31Å; D75-K79 WeakPolarHBondContact O-CG 3.2Å; D75-K79 PolarHBondContact O-N 2.96Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 3.81Å; D75-K79 WeakPolarHBondContact OD2-CE 3.33Å; D75-K79 IonicContact OD2-NZ 2.6Å; D75-K79 PolarHBondContact OD2-NZ 3.12Å; D75-I85 HydrophobicContact CB-CD1 4.19Å
76T96.9Very high94.7Very high66 Ų6662.8 Ų62.841%0.40531%0.311SS..Hα-helixtrans-63.1-51.1174.4-56.20000111.1T72 L73 I74 C78 K79 E80T72-T76 PolarHBondContact O-N 3.11Å; T72-T76 VanDerWaalsContact O-N 3.13Å; T72-T76 PolarHBondContact O-OG1 3.48Å; L73-T76 PolarHBondContact O-N 3.32Å; I74-T76 VanDerWaalsContact C-N 3.31Å; I74-T76 PolarHBondContact O-N 3.02Å; T76-C78 VanDerWaalsContact C-N 3.3Å; T76-C78 PolarHBondContact O-N 3.47Å; T76-K79 PolarHBondContact O-N 2.97Å; T76-E80 WeakPolarHBondContact O-CG 3.38Å; T76-E80 PolarHBondContact O-N 2.73Å; T76-E80 VanDerWaalsContact O-N 3.11Å
77W97.3Very high95Very high51 Ų5158.5 Ų58.519%0.19329%0.29CS..Hα-helixtrans-58.7-40.8175.8175.289.1000112.2V32 I54 L73 I74 K79 E80 N81 Y83 W193 T194V32-W77 HydrophobicContact CG1-CZ3 4.34Å; I54-W77 HydrophobicContact CD1-CE3 4.36Å; I54-W77 HydrophobicContact CD1-CZ3 4.12Å; L73-W77 PolarHBondContact O-N 3.19Å; I74-W77 PolarHBondContact O-N 2.92Å; W77-K79 PolarHBondContact O-N 3.33Å; W77-E80 PolarHBondContact O-N 2.91Å; W77-N81 PolarHBondContact NE1-ND2 2.98Å; W77-N81 WeakPolarHBondContact O-CB 3.35Å; W77-N81 PolarHBondContact O-N 3.38Å; W77-N81 VanDerWaalsContact O-N 3.07Å; W77-N81 PolarHBondContact O-ND2 3.41Å; W77-Y83 HydrophobicContact CE3-CD2 4.47Å; W77-Y83 AromaticContact CH2-CD2 3.67Å; W77-Y83 HydrophobicContact CH2-CD2 3.67Å; W77-Y83 AromaticContact CH2-CE2 3.75Å; W77-Y83 HydrophobicContact CH2-CE2 3.75Å; W77-Y83 HydrophobicContact CZ2-CD2 4.4Å; W77-Y83 HydrophobicContact CZ2-CE2 4.27Å; W77-Y83 AromaticContact CZ3-CD2 3.71Å; W77-Y83 HydrophobicContact CZ3-CD2 3.71Å; W77-Y83 HydrophobicContact CZ3-CE2 4.28Å; W77-W193 HydrophobicContact CB-CH2 3.72Å; W77-W193 HydrophobicContact CB-CZ2 4.23Å; W77-W193 AromaticContact CD2-CH2 3.72Å; W77-W193 HydrophobicContact CD2-CH2 3.72Å; W77-W193 HydrophobicContact CD2-CZ3 4.15Å; W77-W193 HydrophobicContact CE3-CH2 4.08Å; W77-W193 HydrophobicContact CE3-CZ3 4.23Å; W77-W193 AromaticContact CG-CH2 3.55Å; W77-W193 HydrophobicContact CG-CH2 3.55Å; W77-W193 HydrophobicContact CG-CZ2 4.26Å; W77-W193 HydrophobicContact CG-CZ3 4.43Å; W77-T194 HydrophobicContact CZ2-CG2 3.94Å
78C96.6Very high95.3Very high0 Ų057.5 Ų57.50%029%0.285CS..Hα-helixtrans-59.4-48176.4-75.20000110.9I74 D75 T76 E80 N81 K82 Y83I74-C78 WeakPolarHBondContact O-CB 3.19Å; I74-C78 PolarHBondContact O-N 2.96Å; I74-C78 PolarHBondContact O-SG 3.33Å; D75-C78 PolarHBondContact O-N 3.04Å; T76-C78 VanDerWaalsContact C-N 3.3Å; T76-C78 PolarHBondContact O-N 3.47Å; C78-E80 VanDerWaalsContact C-N 3.33Å; C78-E80 PolarHBondContact O-N 2.76Å; C78-N81 CarbonylContact O-C 3.5Å; C78-N81 PolarHBondContact O-N 3.31Å; C78-K82 PolarHBondContact O-N 3.47Å; C78-Y83 CarbonylContact C-O 3.57Å; C78-Y83 PolarHBondContact O-N 2.84Å
79K94.8Very high95.7Very high133 Ų13351.2 Ų51.258%0.57826%0.256SS*.Hα-helixtrans-60.4-42179.7-73.3168.6-171.3164.20112.4D75 T76 W77 N81 K82D75-K79 VanDerWaalsContact O-CG 3.31Å; D75-K79 WeakPolarHBondContact O-CG 3.2Å; D75-K79 PolarHBondContact O-N 2.96Å; D75-K79 WeakPolarHBondContact OD1-CE 3.42Å; D75-K79 IonicContact OD1-NZ 3.81Å; D75-K79 WeakPolarHBondContact OD2-CE 3.33Å; D75-K79 IonicContact OD2-NZ 2.6Å; D75-K79 PolarHBondContact OD2-NZ 3.12Å; T76-K79 PolarHBondContact O-N 2.97Å; W77-K79 PolarHBondContact O-N 3.33Å; K79-N81 VanDerWaalsContact C-N 3.31Å; K79-N81 PolarHBondContact O-N 3.24Å; K79-K82 PolarHBondContact O-N 3.11Å
80E96.4Very high95.9Very high143 Ų14348 Ų4867%0.66824%0.236SC*.Hα-helixtrans-65-35.3178.3-69.7177.6172.900112.3T76 W77 C78T76-E80 WeakPolarHBondContact O-CG 3.38Å; T76-E80 PolarHBondContact O-N 2.73Å; T76-E80 VanDerWaalsContact O-N 3.11Å; W77-E80 PolarHBondContact O-N 2.91Å; C78-E80 VanDerWaalsContact C-N 3.33Å; C78-E80 PolarHBondContact O-N 2.76Å
81N95.4Very high96Very high75 Ų7548.2 Ų48.240%0.40124%0.237SC..THydrogen-bonded Turntrans-98.610.5-176.8-66.6-80.4000114.1W77 C78 K79 Y83W77-N81 PolarHBondContact NE1-ND2 2.98Å; W77-N81 WeakPolarHBondContact O-CB 3.35Å; W77-N81 PolarHBondContact O-N 3.38Å; W77-N81 VanDerWaalsContact O-N 3.07Å; W77-N81 PolarHBondContact O-ND2 3.41Å; C78-N81 CarbonylContact O-C 3.5Å; C78-N81 PolarHBondContact O-N 3.31Å; K79-N81 VanDerWaalsContact C-N 3.31Å; K79-N81 PolarHBondContact O-N 3.24Å; N81-Y83 VanDerWaalsContact C-N 3.27Å; N81-Y83 HydrophobicContact CB-CD2 3.51Å; N81-Y83 HydrophobicContact CB-CE2 3.63Å; N81-Y83 PolarHBondContact O-N 3.11Å
82K94.8Very high96.1Very high163 Ų16347.3 Ų47.371%0.70923%0.233SC*.THydrogen-bonded Turntrans60.134.4-178.5-52.9171.2-176.4162.50113.6K35 C78 K79K35-K82 WeakPolarHBondContact CB-O 3.43Å; K35-K82 PolarHBondContact N-O 3.23Å; C78-K82 PolarHBondContact O-N 3.47Å; K79-K82 PolarHBondContact O-N 3.11Å
83Y96.1Very high95.8Very high66 Ų6649.5 Ų49.526%0.25924%0.237SC..EExtended strand (participates in β ladder)trans-103.1171.2170.7-62.4-55.7000112.3V32 A33 E34 V51 W77 C78 N81V32-Y83 VanDerWaalsContact CG1-CB 3.43Å; V32-Y83 HydrophobicContact CG1-CD1 4.06Å; V32-Y83 HydrophobicContact CG1-CD2 4.28Å; V32-Y83 HydrophobicContact CG1-CG 3.69Å; A33-Y83 CarbonylContact O-C 3.46Å; A33-Y83 VanDerWaalsContact O-CA 3.27Å; A33-Y83 WeakPolarHBondContact O-CA 3.39Å; E34-Y83 HydrophobicContact CG-CD1 4.08Å; E34-Y83 HydrophobicContact CG-CE1 3.79Å; V51-Y83 HydrophobicContact CG2-CD1 4Å; V51-Y83 HydrophobicContact CG2-CE1 3.68Å; W77-Y83 HydrophobicContact CE3-CD2 4.47Å; W77-Y83 AromaticContact CH2-CD2 3.67Å; W77-Y83 HydrophobicContact CH2-CD2 3.67Å; W77-Y83 AromaticContact CH2-CE2 3.75Å; W77-Y83 HydrophobicContact CH2-CE2 3.75Å; W77-Y83 HydrophobicContact CZ2-CD2 4.4Å; W77-Y83 HydrophobicContact CZ2-CE2 4.27Å; W77-Y83 AromaticContact CZ3-CD2 3.71Å; W77-Y83 HydrophobicContact CZ3-CD2 3.71Å; W77-Y83 HydrophobicContact CZ3-CE2 4.28Å; C78-Y83 CarbonylContact C-O 3.57Å; C78-Y83 PolarHBondContact O-N 2.84Å; N81-Y83 VanDerWaalsContact C-N 3.27Å; N81-Y83 HydrophobicContact CB-CD2 3.51Å; N81-Y83 HydrophobicContact CB-CE2 3.63Å; N81-Y83 PolarHBondContact O-N 3.11Å
84V95.8Very high95.4Very high34 Ų3454.9 Ų54.921%0.20625%0.251CS..EExtended strand (participates in β ladder)trans-140.3146169.464.50000109.4V32 A33 A86 F115V32-V84 WeakPolarHBondContact CA-O 3.25Å; A33-V84 HydrophobicContact CB-CG1 4.27Å; A33-V84 PolarHBondContact N-O 3.1Å; A33-V84 PolarHBondContact O-N 2.88Å; V84-A86 PolarHBondContact O-N 3.41Å; V84-F115 HydrophobicContact CG1-CD2 4.27Å; V84-F115 HydrophobicContact CG1-CE2 4.05Å; V84-F115 HydrophobicContact CG2-CD2 4Å; V84-F115 HydrophobicContact CG2-CG 4.48Å
85I96.6Very high94.4Very high17 Ų1758.5 Ų58.59%0.08727%0.274CS..EExtended strand (participates in β ladder)trans-70.6111.5170.3-58.5167.9000107.6L30 L71 I74 D75 I111L30-I85 HydrophobicContact CB-CG2 4.35Å; L30-I85 HydrophobicContact CD1-CD1 4.21Å; L30-I85 HydrophobicContact CD1-CG2 4.41Å; L30-I85 HydrophobicContact CD2-CG2 4.13Å; L71-I85 HydrophobicContact CD2-CD1 4.28Å; I74-I85 HydrophobicContact CG2-CD1 4.13Å; I74-I85 HydrophobicContact CG2-CG1 4.2Å; D75-I85 HydrophobicContact CB-CD1 4.19Å; I85-I111 HydrophobicContact CG2-CD1 4.07Å; I85-I111 HydrophobicContact CG2-CG1 4.2Å; I85-I111 HydrophobicContact CG2-CG2 4Å
86A95.4Very high94Very high0 Ų064.5 Ų64.50%030%0.297CS..EExtended strand (participates in β ladder)trans-103.7-6.4-174.200000113.3I5 L31 A33 I48 V84 F115 A118 A119I5-A86 WeakPolarHBondContact CD1-O 3.14Å; L31-A86 PolarHBondContact O-N 2.9Å; A33-A86 HydrophobicContact CB-CB 3.54Å; I48-A86 HydrophobicContact CG2-CB 4.41Å; V84-A86 PolarHBondContact O-N 3.41Å; A86-F115 HydrophobicContact CB-CD1 4.3Å; A86-F115 HydrophobicContact CB-CE1 3.91Å; A86-F115 HydrophobicContact CB-CZ 4.44Å; A86-A118 VanDerWaalsContact O-CA 3.27Å; A86-A118 WeakPolarHBondContact O-CA 3.47Å; A86-A119 PolarHBondContact O-N 2.81Å
87G95.8Very high93.6Very high0 Ų064.6 Ų64.60%030%0.295CS..EExtended strand (participates in β ladder)trans176.8-174.9178.400000114.6L30 L31 A119L30-G87 WeakPolarHBondContact CA-O 3.42Å; L31-G87 PolarHBondContact N-O 2.91Å; L31-G87 PolarHBondContact O-N 2.86Å; G87-A119 CarbonylContact C-O 3.54Å; G87-A119 WeakPolarHBondContact CA-O 3.39Å
88Y97.3Very high93.2Very high0 Ų065.7 Ų65.70%030%0.302CS..EExtended strand (participates in β ladder)trans-132.5144.4-179.6174.3-101.9000109.1N28 G29 L30 Q90 V107 A119 M120 I121N28-Y88 HydrophobicContact CB-CE2 3.7Å; N28-Y88 WeakPolarHBondContact CB-OH 3.4Å; N28-Y88 PolarHBondContact ND2-OH 3.19Å; G29-Y88 CarbonylContact O-C 3.51Å; G29-Y88 WeakPolarHBondContact O-CA 3.31Å; G29-Y88 WeakPolarHBondContact O-CD2 3.32Å; L30-Y88 HydrophobicContact CD2-CD2 4.26Å; Y88-Q90 HydrophobicContact CE1-CB 3.68Å; Y88-Q90 PolarHBondContact OH-OE1 3.44Å; Y88-V107 HydrophobicContact CD2-CB 4.28Å; Y88-V107 HydrophobicContact CD2-CG1 3.63Å; Y88-V107 HydrophobicContact CE2-CB 4.33Å; Y88-V107 HydrophobicContact CE2-CG1 3.96Å; Y88-V107 HydrophobicContact CG-CB 4.49Å; Y88-V107 HydrophobicContact CG-CG1 4.1Å; Y88-A119 PolarHBondContact N-O 2.91Å; Y88-M120 HydrophobicContact CD1-CG 4.34Å; Y88-M120 CarbonylContact O-C 3.54Å; Y88-M120 VanDerWaalsContact O-CA 3.32Å; Y88-M120 WeakPolarHBondContact O-CA 3.2Å; Y88-I121 PolarHBondContact O-N 2.84Å
89Y97.6Very high93Very high0 Ų074.3 Ų74.30%033%0.334CS..EExtended strand (participates in β ladder)trans-124.7155168.277.5-90000111.7M15 H18 N28 G29 L31 C53 P55 I121M15-Y89 HydrophobicContact CG-CD1 4.4Å; M15-Y89 HydrophobicContact CG-CD2 3.61Å; M15-Y89 HydrophobicContact CG-CE2 3.82Å; M15-Y89 HydrophobicContact CG-CG 3.91Å; M15-Y89 HydrophobicContact SD-CD1 4.35Å; M15-Y89 HydrophobicContact SD-CD2 3.89Å; M15-Y89 HydrophobicContact SD-CG 3.7Å; H18-Y89 AromaticContact ND1-CZ 3.82Å; H18-Y89 PolarHBondContact ND1-OH 3.41Å; N28-Y89 VanDerWaalsContact CA-O 3.25Å; N28-Y89 WeakPolarHBondContact CA-O 3.27Å; N28-Y89 WeakPolarHBondContact CB-O 3.49Å; N28-Y89 PolarHBondContact O-OH 2.96Å; G29-Y89 VanDerWaalsContact C-CD1 3.4Å; G29-Y89 PolarHBondContact N-O 3.03Å; G29-Y89 WeakPolarHBondContact O-CD1 3.29Å; G29-Y89 PolarHBondContact O-N 3.45Å; L31-Y89 HydrophobicContact CD2-CD1 4.4Å; C53-Y89 WeakPolarHBondContact SG-CE1 3.31Å; P55-Y89 WeakPolarHBondContact CA-OH 3.31Å; Y89-I121 CarbonylContact C-O 3.55Å; Y89-I121 WeakPolarHBondContact CA-O 3.34Å
90Q97.4Very high93Very high0 Ų069.3 Ų69.30%032%0.315CS..EExtended strand (participates in β ladder)trans-149.5137.2175-175.4170.6-52.600111.5V27 N28 L61 Y88 N92 N101 I121 M122 V123V27-Q90 CarbonylContact O-C 3.6Å; V27-Q90 VanDerWaalsContact O-CA 3.32Å; V27-Q90 WeakPolarHBondContact O-CA 3.47Å; N28-Q90 HydrophobicContact CB-CB 4.44Å; N28-Q90 HydrophobicContact CB-CG 4.49Å; L61-Q90 HydrophobicContact CD1-CG 3.77Å; Y88-Q90 HydrophobicContact CE1-CB 3.68Å; Y88-Q90 PolarHBondContact OH-OE1 3.44Å; Q90-N92 PolarHBondContact NE2-OD1 3.23Å; Q90-N101 VanDerWaalsContact NE2-CG 3.31Å; Q90-N101 PolarHBondContact NE2-ND2 2.85Å; Q90-N101 PolarHBondContact NE2-OD1 3.34Å; Q90-I121 PolarHBondContact N-O 3.22Å; Q90-M122 HydrophobicContact CB-CE 3.92Å; Q90-M122 HydrophobicContact CB-SD 4.07Å; Q90-M122 HydrophobicContact CG-CE 4.1Å; Q90-M122 CarbonylContact O-C 3.6Å; Q90-M122 WeakPolarHBondContact O-CA 3.21Å; Q90-V123 PolarHBondContact O-N 2.8Å
91A96.3Very high92.8Very high3 Ų365.5 Ų65.53%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-107.1126.4159.400000107.5A26 V27 V123A26-A91 CarbonylContact C-O 3.59Å; A26-A91 WeakPolarHBondContact CA-O 3.37Å; A26-A91 WeakPolarHBondContact CB-O 3.37Å; V27-A91 HydrophobicContact CG2-CB 3.62Å; V27-A91 PolarHBondContact N-O 3.06Å; V27-A91 PolarHBondContact O-N 3.38Å; A91-V123 HydrophobicContact CB-CB 3.86Å; A91-V123 HydrophobicContact CB-CG1 4.5Å; A91-V123 HydrophobicContact CB-CG2 4.36Å
92N94.6Very high92.6Very high15 Ų1568.3 Ų68.38%0.0831%0.31CS..  trans-78.6153.5177.8-67-29.2000110.6Q90 R94 D97 R99Q90-N92 PolarHBondContact NE2-OD1 3.23Å; N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.46Å; N92-D97 WeakPolarHBondContact CB-O 3.32Å; N92-D97 PolarHBondContact ND2-O 3.4Å; N92-R99 PolarHBondContact ND2-O 3.02Å
93E89.1Confident92.4Very high137 Ų13762.5 Ų62.564%0.6429%0.288SS*.SBendtrans-60.4-39177.3-174-172.9178.600112.3A26 T95A26-E93 HydrophobicContact CB-CB 4.08Å; E93-T95 PolarHBondContact O-N 3.46Å
94R86.8Confident92.3Very high194 Ų19459.4 Ų59.473%0.73228%0.276SS*.SBendtrans-81.3110.6177-68.5-177.4-178-179.51.4109.3N92 K96 D97N92-R94 VanDerWaalsContact C-N 3.3Å; N92-R94 PolarHBondContact O-N 3.46Å; R94-K96 PolarHBondContact O-N 2.89Å; R94-D97 HydrophobicContact CB-CB 4.09Å; R94-D97 PolarHBondContact O-N 3.04Å
95T77Confident92.1Very high77 Ų7762.1 Ų62.147%0.47229%0.286SS..THydrogen-bonded Turntrans-49.6-39.1-176.852.20000114.4E93 D97 T126E93-T95 PolarHBondContact O-N 3.46Å; T95-D97 VanDerWaalsContact C-N 3.31Å; T95-D97 PolarHBondContact O-N 2.88Å; T95-T126 WeakPolarHBondContact O-CG2 3.33Å
96K86.7Confident91.9Very high181 Ų18167.5 Ų67.579%0.78731%0.309SS*.THydrogen-bonded Turntrans-81.1-3-178.8-62.8-174-179.6-1780115.2R94 T126R94-K96 PolarHBondContact O-N 2.89Å; K96-T126 HydrophobicContact CB-CG2 4.4Å; K96-T126 HydrophobicContact CG-CG2 4.08Å
97D88.6Confident91.8Very high67 Ų6768 Ų6836%0.35831%0.312SS..  trans-112.999.5-178.7-174.85.9000109.7N92 R94 T95 R99N92-D97 WeakPolarHBondContact CB-O 3.32Å; N92-D97 PolarHBondContact ND2-O 3.4Å; R94-D97 HydrophobicContact CB-CB 4.09Å; R94-D97 PolarHBondContact O-N 3.04Å; T95-D97 VanDerWaalsContact C-N 3.31Å; T95-D97 PolarHBondContact O-N 2.88Å; D97-R99 PolarHBondContact OD1-N 3.27Å
98F88.3Confident91.7Very high75 Ų7568 Ų6833%0.32931%0.312SS..  trans-111.326.3175.955.2-89.3000111.2M122 D124 A138F98-M122 WeakPolarHBondContact O-CB 3.49Å; F98-M122 WeakPolarHBondContact O-CG 3.12Å; F98-D124 HydrophobicContact CB-CB 4.2Å; F98-D124 HydrophobicContact CD1-CB 4.33Å; F98-D124 HydrophobicContact CG-CB 4.14Å; F98-A138 HydrophobicContact CD2-CB 4.43Å
99R93.1Very high91.4Very high181 Ų18169.8 Ų69.868%0.68333%0.327SS*.SBendtrans-89.7146.6175.9-64.7-177.2177.1-173.4-0.7110.5N92 D97 N101 M122N92-R99 PolarHBondContact ND2-O 3.02Å; D97-R99 PolarHBondContact OD1-N 3.27Å; R99-N101 PolarHBondContact O-N 3.24Å; R99-M122 WeakPolarHBondContact O-CE 3.36Å
100P94.1Very high91.1Very high27 Ų2776.6 Ų76.618%0.17535%0.353CS..  trans-54.3138.6169.2-26.835.9000111.1S104 E105 M120 M122 Y140P100-S104 VanDerWaalsContact CA-OG 3.24Å; P100-S104 WeakPolarHBondContact CA-OG 3.35Å; P100-S104 WeakPolarHBondContact CB-OG 3.27Å; P100-E105 HydrophobicContact CB-CG 4.14Å; P100-M120 HydrophobicContact CB-CE 3.56Å; P100-M120 HydrophobicContact CB-SD 3.87Å; P100-M120 HydrophobicContact CG-CE 3.4Å; P100-M120 HydrophobicContact CG-SD 4.1Å; P100-M122 HydrophobicContact CB-SD 4.44Å; P100-M122 HydrophobicContact CG-CG 3.94Å; P100-M122 HydrophobicContact CG-SD 4.23Å; P100-Y140 WeakPolarHBondContact CD-OH 3.24Å; P100-Y140 HydrophobicContact CG-CD1 3.99Å; P100-Y140 HydrophobicContact CG-CD2 3.99Å; P100-Y140 HydrophobicContact CG-CE1 3.7Å; P100-Y140 HydrophobicContact CG-CE2 3.73Å; P100-Y140 HydrophobicContact CG-CG 4.13Å
101N92.8Very high90.9Very high64 Ų6477 Ų7734%0.34236%0.355SS..  trans-109179171.167.316.4000110Q90 R99 V103 S104 E105Q90-N101 VanDerWaalsContact NE2-CG 3.31Å; Q90-N101 PolarHBondContact NE2-ND2 2.85Å; Q90-N101 PolarHBondContact NE2-OD1 3.34Å; R99-N101 PolarHBondContact O-N 3.24Å; N101-V103 PolarHBondContact O-N 2.87Å; N101-V103 VanDerWaalsContact O-N 3.15Å; N101-V103 WeakPolarHBondContact OD1-CB 3.32Å; N101-V103 PolarHBondContact OD1-N 2.87Å; N101-V103 VanDerWaalsContact OD1-N 3.15Å; N101-S104 PolarHBondContact N-OG 2.75Å; N101-S104 PolarHBondContact O-N 2.82Å; N101-S104 PolarHBondContact O-OG 3.01Å; N101-S104 PolarHBondContact OD1-N 3.38Å; N101-E105 WeakPolarHBondContact O-CG 3.15Å; N101-E105 PolarHBondContact O-N 2.77Å
102Q90.9Very high90.7Very high134 Ų13477.4 Ų77.463%0.62636%0.358SS*.Hα-helixtrans-59.8-30.5-177.3-167.6-177.632.300113.1K106Q102-K106 HydrophobicContact CG-CD 4.26Å; Q102-K106 WeakPolarHBondContact O-CB 3.16Å; Q102-K106 VanDerWaalsContact O-CG 3.26Å; Q102-K106 WeakPolarHBondContact O-CG 3.42Å; Q102-K106 PolarHBondContact O-N 2.96Å; Q102-K106 VanDerWaalsContact O-N 3.15Å
103V90.4Very high90.5Very high41 Ų4183 Ų8325%0.24838%0.384CS..Hα-helixtrans-66.2-56.8176169.50000109.4A62 N101 E105 K106 V107A62-V103 HydrophobicContact CB-CB 4.16Å; A62-V103 HydrophobicContact CB-CG1 3.51Å; A62-V103 HydrophobicContact CB-CG2 3.52Å; N101-V103 PolarHBondContact O-N 2.87Å; N101-V103 VanDerWaalsContact O-N 3.15Å; N101-V103 WeakPolarHBondContact OD1-CB 3.32Å; N101-V103 PolarHBondContact OD1-N 2.87Å; N101-V103 VanDerWaalsContact OD1-N 3.15Å; V103-E105 VanDerWaalsContact C-N 3.27Å; V103-E105 PolarHBondContact O-N 2.8Å; V103-K106 PolarHBondContact O-N 2.81Å; V103-K106 VanDerWaalsContact O-N 3.11Å; V103-V107 HydrophobicContact CG1-CG2 4.28Å; V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.48Å
104S93.1Very high90.5Very high0 Ų082.7 Ų82.70%039%0.386CS..Hα-helixtrans-59-39.3-17763.90000112.1P100 N101 G108 M120P100-S104 VanDerWaalsContact CA-OG 3.24Å; P100-S104 WeakPolarHBondContact CA-OG 3.35Å; P100-S104 WeakPolarHBondContact CB-OG 3.27Å; N101-S104 PolarHBondContact N-OG 2.75Å; N101-S104 PolarHBondContact O-N 2.82Å; N101-S104 PolarHBondContact O-OG 3.01Å; N101-S104 PolarHBondContact OD1-N 3.38Å; S104-G108 PolarHBondContact O-N 3.34Å; S104-M120 VanDerWaalsContact C-SD 3.59Å; S104-M120 VanDerWaalsContact CB-SD 3.53Å
105E93.3Very high90.7Very high92 Ų9275.1 Ų75.143%0.4336%0.359SS..Hα-helixtrans-64.8-42.6176.4-71.1-178.1166.100112.9P100 N101 V103 A109P100-E105 HydrophobicContact CB-CG 4.14Å; N101-E105 WeakPolarHBondContact O-CG 3.15Å; N101-E105 PolarHBondContact O-N 2.77Å; V103-E105 VanDerWaalsContact C-N 3.27Å; V103-E105 PolarHBondContact O-N 2.8Å; E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.11Å; E105-A109 PolarHBondContact O-N 3.19Å
106K91.5Very high91.2Very high130 Ų13075.6 Ų75.657%0.56537%0.366SS*.Hα-helixtrans-67.1-45.9178.2-78.7177.5177.6177.30111.9Q102 V103 A109 R110Q102-K106 HydrophobicContact CG-CD 4.26Å; Q102-K106 WeakPolarHBondContact O-CB 3.16Å; Q102-K106 VanDerWaalsContact O-CG 3.26Å; Q102-K106 WeakPolarHBondContact O-CG 3.42Å; Q102-K106 PolarHBondContact O-N 2.96Å; Q102-K106 VanDerWaalsContact O-N 3.15Å; V103-K106 PolarHBondContact O-N 2.81Å; V103-K106 VanDerWaalsContact O-N 3.11Å; K106-A109 PolarHBondContact O-N 2.89Å; K106-R110 PolarHBondContact O-N 2.58Å
107V92.9Very high91.3Very high9 Ų970.1 Ų70.16%0.05534%0.343CS..Hα-helixtrans-64.9-46.4178.4-177.70000110.1L67 Y88 V103 A109 R110 I111L67-V107 HydrophobicContact CD2-CG1 4.49Å; L67-V107 HydrophobicContact CD2-CG2 3.47Å; L67-V107 VanDerWaalsContact CD2-CG2 3.47Å; Y88-V107 HydrophobicContact CD2-CB 4.28Å; Y88-V107 HydrophobicContact CD2-CG1 3.63Å; Y88-V107 HydrophobicContact CE2-CB 4.33Å; Y88-V107 HydrophobicContact CE2-CG1 3.96Å; Y88-V107 HydrophobicContact CG-CB 4.49Å; Y88-V107 HydrophobicContact CG-CG1 4.1Å; V103-V107 HydrophobicContact CG1-CG2 4.28Å; V103-V107 WeakPolarHBondContact O-CG2 3.34Å; V103-V107 PolarHBondContact O-N 3.48Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 2.88Å; V107-R110 PolarHBondContact O-N 2.61Å; V107-I111 HydrophobicContact CG1-CD1 4.05Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 2.76Å
108G93.4Very high91.4Very high1 Ų167 Ų671%0.0133%0.326CS..Hα-helixtrans-56.8-45.1174.900000112.2S104 R110 I111 A112 W147S104-G108 PolarHBondContact O-N 3.34Å; G108-R110 VanDerWaalsContact C-N 3.34Å; G108-R110 PolarHBondContact O-N 3.3Å; G108-I111 PolarHBondContact O-N 3.08Å; G108-A112 WeakPolarHBondContact O-CB 3.41Å; G108-A112 PolarHBondContact O-N 2.65Å; G108-W147 VanDerWaalsContact C-CZ2 3.4Å
109A91.6Very high91.6Very high38 Ų3863.4 Ų63.431%0.31431%0.311SS..Hα-helixtrans-61.4-42.417800000111.7E105 K106 V107 I111 A112 E113E105-A109 VanDerWaalsContact O-CB 3.26Å; E105-A109 WeakPolarHBondContact O-CB 3.11Å; E105-A109 PolarHBondContact O-N 3.19Å; K106-A109 PolarHBondContact O-N 2.89Å; V107-A109 VanDerWaalsContact C-N 3.32Å; V107-A109 PolarHBondContact O-N 2.88Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 2.76Å; A109-A112 PolarHBondContact O-N 3.12Å; A109-E113 WeakPolarHBondContact O-CG 3.26Å; A109-E113 PolarHBondContact O-N 3.14Å
110R91.4Very high91.7Very high143 Ų14354.8 Ų54.854%0.5428%0.278SS..Hα-helixtrans-64.5-36.3177.1-176.955.1174.31680.7112.9K106 V107 G108 E113 N114K106-R110 PolarHBondContact O-N 2.58Å; V107-R110 PolarHBondContact O-N 2.61Å; G108-R110 VanDerWaalsContact C-N 3.34Å; G108-R110 PolarHBondContact O-N 3.3Å; R110-E113 WeakPolarHBondContact CD-OE2 3.49Å; R110-E113 IonicContact CZ-OE2 3.72Å; R110-E113 IonicContact NE-OE2 3.95Å; R110-E113 IonicContact NH1-OE2 2.71Å; R110-E113 PolarHBondContact NH1-OE2 2.66Å; R110-N114 PolarHBondContact O-ND2 3.21Å
111I93.3Very high91.9Very high9 Ų953.5 Ų53.55%0.04627%0.27CS..Hα-helixtrans-68.9-42.7173.4-63.6167.5000109.7L30 I85 V107 G108 A109 E113 N114 F115 A118L30-I111 HydrophobicContact CD2-CD1 3.76Å; I85-I111 HydrophobicContact CG2-CD1 4.07Å; I85-I111 HydrophobicContact CG2-CG1 4.2Å; I85-I111 HydrophobicContact CG2-CG2 4Å; V107-I111 HydrophobicContact CG1-CD1 4.05Å; V107-I111 WeakPolarHBondContact O-CG1 3.45Å; V107-I111 PolarHBondContact O-N 2.76Å; G108-I111 PolarHBondContact O-N 3.08Å; A109-I111 VanDerWaalsContact C-N 3.34Å; A109-I111 PolarHBondContact O-N 2.76Å; I111-E113 VanDerWaalsContact C-N 3.26Å; I111-E113 PolarHBondContact O-N 2.73Å; I111-N114 PolarHBondContact O-N 3.16Å; I111-F115 PolarHBondContact O-N 2.87Å; I111-A118 HydrophobicContact CB-CB 4.45Å; I111-A118 HydrophobicContact CG2-CB 3.78Å
112A91.9Very high92Very high10 Ų1050.5 Ų50.58%0.08325%0.253CS..Hα-helixtrans-62.8-28.6-179.600000114G108 A109 N114 F115 A118 H142G108-A112 WeakPolarHBondContact O-CB 3.41Å; G108-A112 PolarHBondContact O-N 2.65Å; A109-A112 PolarHBondContact O-N 3.12Å; A112-N114 VanDerWaalsContact C-N 3.27Å; A112-N114 PolarHBondContact O-N 3.16Å; A112-F115 WeakPolarHBondContact CA-O 2.99Å; A112-F115 CarbonylContact O-C 3.44Å; A112-A118 HydrophobicContact CB-CB 4.22Å; A112-H142 HydrophobicContact CB-CB 4.41Å
113E90.4Very high92.3Very high134 Ų13444.2 Ų44.263%0.62622%0.224SC*.Hα-helixtrans-61.5-34171.5-73.9172.5-178.600112.7A109 R110 I111A109-E113 WeakPolarHBondContact O-CG 3.26Å; A109-E113 PolarHBondContact O-N 3.14Å; R110-E113 WeakPolarHBondContact CD-OE2 3.49Å; R110-E113 IonicContact CZ-OE2 3.72Å; R110-E113 IonicContact NE-OE2 3.95Å; R110-E113 IonicContact NH1-OE2 2.71Å; R110-E113 PolarHBondContact NH1-OE2 2.66Å; I111-E113 VanDerWaalsContact C-N 3.26Å; I111-E113 PolarHBondContact O-N 2.73Å
114N89.1Confident92.4Very high129 Ų12942.9 Ų42.969%0.6922%0.216SC*.Hα-helixtrans-96-27.3-179.8-64.2-55000112.7R110 I111 A112R110-N114 PolarHBondContact O-ND2 3.21Å; I111-N114 PolarHBondContact O-N 3.16Å; A112-N114 VanDerWaalsContact C-N 3.27Å; A112-N114 PolarHBondContact O-N 3.16Å
115F90.3Very high92.3Very high35 Ų3544.5 Ų44.515%0.15423%0.227CC..  trans-139.296.3-178.7-172.2-104.6000110I48 V84 A86 I111 A112 E117 A118I48-F115 HydrophobicContact CD1-CE1 3.75Å; I48-F115 HydrophobicContact CD1-CZ 3.47Å; I48-F115 VanDerWaalsContact CD1-CZ 3.47Å; I48-F115 HydrophobicContact CG1-CZ 4.2Å; I48-F115 HydrophobicContact CG2-CZ 4.24Å; V84-F115 HydrophobicContact CG1-CD2 4.27Å; V84-F115 HydrophobicContact CG1-CE2 4.05Å; V84-F115 HydrophobicContact CG2-CD2 4Å; V84-F115 HydrophobicContact CG2-CG 4.48Å; A86-F115 HydrophobicContact CB-CD1 4.3Å; A86-F115 HydrophobicContact CB-CE1 3.91Å; A86-F115 HydrophobicContact CB-CZ 4.44Å; I111-F115 PolarHBondContact O-N 2.87Å; A112-F115 WeakPolarHBondContact CA-O 2.99Å; A112-F115 CarbonylContact O-C 3.44Å; F115-E117 HydrophobicContact CD1-CB 4.38Å; F115-E117 HydrophobicContact CE1-CB 3.81Å; F115-E117 HydrophobicContact CZ-CB 4.15Å; F115-E117 PolarHBondContact O-N 3.42Å; F115-A118 HydrophobicContact CD1-CB 4.23Å; F115-A118 VanDerWaalsContact O-CB 3.27Å; F115-A118 WeakPolarHBondContact O-CB 3.33Å; F115-A118 PolarHBondContact O-N 3.38Å
116S87.4Confident92.2Very high88 Ų8843.7 Ų43.762%0.61523%0.229SC*.THydrogen-bonded Turntrans-60-21.8-169.9550000115.1A118S116-A118 VanDerWaalsContact C-N 3.31Å
117E88.4Confident92.1Very high65 Ų6541.1 Ų41.130%0.30422%0.215SC..THydrogen-bonded Turntrans-96.320.8-179.3-58.9176.886.200112.3M3 I5 I48 F115M3-E117 WeakPolarHBondContact CB-OE1 3.43Å; M3-E117 WeakPolarHBondContact CE-OE1 3.4Å; I5-E117 VanDerWaalsContact CD1-O 3.31Å; I5-E117 WeakPolarHBondContact CD1-O 3.29Å; I48-E117 HydrophobicContact CD1-CB 3.23Å; I48-E117 HydrophobicContact CD1-CG 3.92Å; I48-E117 WeakPolarHBondContact CD1-OE1 3.3Å; F115-E117 HydrophobicContact CD1-CB 4.38Å; F115-E117 HydrophobicContact CE1-CB 3.81Å; F115-E117 HydrophobicContact CZ-CB 4.15Å; F115-E117 PolarHBondContact O-N 3.42Å
118A91.5Very high92.1Very high2 Ų243.6 Ų43.62%0.01723%0.225CC..  trans-60.8141.9-179.600000112.6A86 I111 A112 F115 S116 H142A86-A118 VanDerWaalsContact O-CA 3.27Å; A86-A118 WeakPolarHBondContact O-CA 3.47Å; I111-A118 HydrophobicContact CB-CB 4.45Å; I111-A118 HydrophobicContact CG2-CB 3.78Å; A112-A118 HydrophobicContact CB-CB 4.22Å; F115-A118 HydrophobicContact CD1-CB 4.23Å; F115-A118 VanDerWaalsContact O-CB 3.27Å; F115-A118 WeakPolarHBondContact O-CB 3.33Å; F115-A118 PolarHBondContact O-N 3.38Å; S116-A118 VanDerWaalsContact C-N 3.31Å; A118-H142 PolarHBondContact O-N 3.32Å
119A93.4Very high92.1Very high0 Ų046.2 Ų46.20%024%0.241CC..EExtended strand (participates in β ladder)trans-111150.4169.600000111.8I5 A86 G87 Y88 I139 Y140I5-A119 HydrophobicContact CB-CB 4.27Å; I5-A119 HydrophobicContact CD1-CB 3.36Å; I5-A119 HydrophobicContact CG1-CB 4.31Å; A86-A119 PolarHBondContact O-N 2.81Å; G87-A119 CarbonylContact C-O 3.54Å; G87-A119 WeakPolarHBondContact CA-O 3.39Å; Y88-A119 PolarHBondContact N-O 2.91Å; A119-I139 HydrophobicContact CB-CG2 4.27Å; A119-Y140 WeakPolarHBondContact CA-O 3.43Å
120M95.4Very high92.2Very high0 Ų048.2 Ų48.20%025%0.245CC..EExtended strand (participates in β ladder)trans-113.4127.1167171.9176.857.600108.4Y88 P100 S104 M122 Y140 W147Y88-M120 HydrophobicContact CD1-CG 4.34Å; Y88-M120 CarbonylContact O-C 3.54Å; Y88-M120 VanDerWaalsContact O-CA 3.32Å; Y88-M120 WeakPolarHBondContact O-CA 3.2Å; P100-M120 HydrophobicContact CB-CE 3.56Å; P100-M120 HydrophobicContact CB-SD 3.87Å; P100-M120 HydrophobicContact CG-CE 3.4Å; P100-M120 HydrophobicContact CG-SD 4.1Å; S104-M120 VanDerWaalsContact C-SD 3.59Å; S104-M120 VanDerWaalsContact CB-SD 3.53Å; M120-M122 HydrophobicContact CG-SD 4.43Å; M120-Y140 HydrophobicContact CE-CD1 4.38Å; M120-Y140 HydrophobicContact CE-CD2 4.43Å; M120-Y140 HydrophobicContact CE-CG 3.97Å; M120-Y140 PolarHBondContact N-O 2.88Å; M120-Y140 WeakPolarHBondContact O-CB 3Å; M120-Y140 PolarHBondContact O-N 2.76Å; M120-W147 HydrophobicContact CB-CE3 4.04Å; M120-W147 HydrophobicContact CB-CH2 4.19Å; M120-W147 HydrophobicContact CB-CZ3 3.78Å; M120-W147 HydrophobicContact CE-CB 4.12Å; M120-W147 HydrophobicContact CE-CD2 3.69Å; M120-W147 HydrophobicContact CE-CE3 4.01Å; M120-W147 HydrophobicContact CE-CG 3.71Å
121I96.6Very high92.3Very high0 Ų042 Ų420%023%0.225CC..EExtended strand (participates in β ladder)trans-113.2125-178.1-60.6-168.7000109.6L7 M15 L31 Y88 Y89 Q90 L137 A138 I139L7-I121 HydrophobicContact CD1-CD1 4.01Å; L7-I121 HydrophobicContact CD2-CD1 3.93Å; L7-I121 HydrophobicContact CG-CD1 4.39Å; M15-I121 HydrophobicContact CE-CG2 4.47Å; M15-I121 HydrophobicContact SD-CG2 4.09Å; L31-I121 HydrophobicContact CD1-CD1 3.44Å; L31-I121 VanDerWaalsContact CD1-CD1 3.44Å; L31-I121 HydrophobicContact CD1-CG1 3.78Å; Y88-I121 PolarHBondContact O-N 2.84Å; Y89-I121 CarbonylContact C-O 3.55Å; Y89-I121 WeakPolarHBondContact CA-O 3.34Å; Q90-I121 PolarHBondContact N-O 3.22Å; I121-L137 HydrophobicContact CG2-CB 4Å; I121-L137 HydrophobicContact CG2-CD1 4.17Å; I121-L137 HydrophobicContact CG2-CD2 3.93Å; I121-L137 HydrophobicContact CG2-CG 4.25Å; I121-A138 WeakPolarHBondContact CA-O 3.48Å; I121-I139 HydrophobicContact CD1-CG1 4.37Å; I121-I139 HydrophobicContact CG1-CG1 4.3Å
122M96.6Very high92.3Very high0 Ų041.8 Ų41.80%023%0.225CC..EExtended strand (participates in β ladder)trans-102.6128.2169.9-56-57.7-56.700109.4Q90 F98 R99 P100 M120 L137 A138 Y140Q90-M122 HydrophobicContact CB-CE 3.92Å; Q90-M122 HydrophobicContact CB-SD 4.07Å; Q90-M122 HydrophobicContact CG-CE 4.1Å; Q90-M122 CarbonylContact O-C 3.6Å; Q90-M122 WeakPolarHBondContact O-CA 3.21Å; F98-M122 WeakPolarHBondContact O-CB 3.49Å; F98-M122 WeakPolarHBondContact O-CG 3.12Å; R99-M122 WeakPolarHBondContact O-CE 3.36Å; P100-M122 HydrophobicContact CB-SD 4.44Å; P100-M122 HydrophobicContact CG-CG 3.94Å; P100-M122 HydrophobicContact CG-SD 4.23Å; M120-M122 HydrophobicContact CG-SD 4.43Å; M122-L137 WeakPolarHBondContact O-CA 3.48Å; M122-A138 HydrophobicContact CB-CB 4.38Å; M122-A138 PolarHBondContact N-O 3.45Å; M122-A138 PolarHBondContact O-N 3.08Å; M122-Y140 HydrophobicContact CB-CE2 4.3Å; M122-Y140 HydrophobicContact CG-CD2 4.13Å; M122-Y140 HydrophobicContact CG-CE2 3.71Å
123V95.8Very high92.3Very high2 Ų249.5 Ų49.51%0.01225%0.253CS..EExtended strand (participates in β ladder)trans-86.3120.4176.1-175.30000109.1M15 L16 Q90 A91 S125 I136 L137M15-V123 HydrophobicContact CG-CG2 3.99Å; M15-V123 HydrophobicContact SD-CG2 3.87Å; L16-V123 HydrophobicContact CD1-CG1 4.07Å; Q90-V123 PolarHBondContact O-N 2.8Å; A91-V123 HydrophobicContact CB-CB 3.86Å; A91-V123 HydrophobicContact CB-CG1 4.5Å; A91-V123 HydrophobicContact CB-CG2 4.36Å; V123-S125 PolarHBondContact O-N 3.19Å; V123-S125 VanDerWaalsContact O-N 3.15Å; V123-I136 HydrophobicContact CG1-CD1 3.96Å; V123-I136 HydrophobicContact CG1-CG1 4.29Å; V123-L137 HydrophobicContact CB-CD2 4.46Å; V123-L137 HydrophobicContact CG1-CD2 4.45Å; V123-L137 HydrophobicContact CG2-CD2 3.98Å
124D93.6Very high92.4Very high13 Ų1347.6 Ų47.67%0.0724%0.244CC..  trans-80.591.6173.9-173.7-6.7000110.4F98 T126 R127 I136F98-D124 HydrophobicContact CB-CB 4.2Å; F98-D124 HydrophobicContact CD1-CB 4.33Å; F98-D124 HydrophobicContact CG-CB 4.14Å; D124-T126 PolarHBondContact O-N 2.82Å; D124-T126 WeakPolarHBondContact OD1-CB 3.39Å; D124-T126 PolarHBondContact OD1-N 3.19Å; D124-T126 PolarHBondContact OD1-OG1 3.32Å; D124-T126 PolarHBondContact OD2-OG1 2.97Å; D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 WeakPolarHBondContact OD2-CD 3.38Å; D124-I136 PolarHBondContact N-O 3.47Å
125S90.2Very high92.6Very high35 Ų3542 Ų4225%0.24522%0.215CC..G310 helixtrans-67-14.9-179-59.70000113.1V123 R127 F128V123-S125 PolarHBondContact O-N 3.19Å; V123-S125 VanDerWaalsContact O-N 3.15Å; S125-R127 VanDerWaalsContact C-N 3.25Å; S125-R127 PolarHBondContact O-N 2.7Å; S125-F128 WeakPolarHBondContact O-CB 2.78Å; S125-F128 PolarHBondContact O-N 2.88Å
126T90.4Very high92.7Very high75 Ų7540.7 Ų40.746%0.4621%0.209SC..G310 helixtrans-69.2-25.9175.769.40000113.3T95 K96 D124T95-T126 WeakPolarHBondContact O-CG2 3.33Å; K96-T126 HydrophobicContact CB-CG2 4.4Å; K96-T126 HydrophobicContact CG-CG2 4.08Å; D124-T126 PolarHBondContact O-N 2.82Å; D124-T126 WeakPolarHBondContact OD1-CB 3.39Å; D124-T126 PolarHBondContact OD1-N 3.19Å; D124-T126 PolarHBondContact OD1-OG1 3.32Å; D124-T126 PolarHBondContact OD2-OG1 2.97Å
127R91Very high93.1Very high75 Ų7536.8 Ų36.828%0.28318%0.182SC..G310 helixtrans-99.12-177.5-66.3168.754.7-148.5-11.8112.5D124 S125 T129 E134 P135 I136D124-R127 PolarHBondContact O-N 3.38Å; D124-R127 WeakPolarHBondContact OD2-CD 3.38Å; S125-R127 VanDerWaalsContact C-N 3.25Å; S125-R127 PolarHBondContact O-N 2.7Å; R127-T129 PolarHBondContact O-N 3.15Å; R127-E134 IonicContact CZ-OE1 2.66Å; R127-E134 VanDerWaalsContact CZ-OE1 3.27Å; R127-E134 IonicContact NE-OE1 2.7Å; R127-E134 PolarHBondContact NE-OE1 3.19Å; R127-E134 VanDerWaalsContact NH2-CG 3.34Å; R127-E134 IonicContact NH2-OE1 3.08Å; R127-E134 PolarHBondContact NH2-OE1 2.86Å; R127-E134 IonicContact NH2-OE2 3.38Å; R127-E134 PolarHBondContact NH2-OE2 2.74Å; R127-P135 PolarHBondContact NH1-O 2.78Å; R127-P135 PolarHBondContact NH2-O 3.5Å; R127-I136 HydrophobicContact CB-CB 4.2Å; R127-I136 HydrophobicContact CB-CG2 3.53Å; R127-I136 WeakPolarHBondContact O-CG2 3.29Å
128F92.4Very high93.3Very high61 Ų6134 Ų3427%0.26817%0.17SC..  trans-62.3123.4-179-171.3-80.3000110.8L16 A20 S125 M130 I136 L171L16-F128 HydrophobicContact CB-CE2 4.39Å; L16-F128 HydrophobicContact CG-CE2 4.11Å; A20-F128 HydrophobicContact CB-CE2 4.45Å; A20-F128 HydrophobicContact CB-CZ 3.86Å; S125-F128 WeakPolarHBondContact O-CB 2.78Å; S125-F128 PolarHBondContact O-N 2.88Å; F128-M130 HydrophobicContact CE1-SD 4.34Å; F128-I136 HydrophobicContact CB-CD1 4.13Å; F128-I136 HydrophobicContact CD2-CD1 3.72Å; F128-I136 HydrophobicContact CG-CD1 4.34Å; F128-L171 HydrophobicContact CZ-CD1 4.07Å; F128-L171 HydrophobicContact CZ-CD2 3.97Å
129T94.1Very high93.4Very high56 Ų5634 Ų3434%0.34417%0.17SC..  trans-139.1148.3175.159.70000109.2R127 G131 C132R127-T129 PolarHBondContact O-N 3.15Å; T129-G131 PolarHBondContact O-N 3.36Å; T129-C132 PolarHBondContact O-N 2.84Å; T129-C132 VanDerWaalsContact O-N 3.14Å; T129-C132 PolarHBondContact OG1-N 3.33Å
130M93.1Very high93.5Very high80 Ų8035.3 Ų35.339%0.39418%0.175SC..THydrogen-bonded Turntrans-59.8-37.2177.8-62.5-62.2-78.200111.8F128 C132 S168 L171F128-M130 HydrophobicContact CE1-SD 4.34Å; M130-C132 PolarHBondContact O-N 3.34Å; M130-S168 WeakPolarHBondContact O-CA 3.5Å; M130-S168 PolarHBondContact O-OG 3.44Å; M130-L171 VanDerWaalsContact CE-C 3.42Å; M130-L171 HydrophobicContact CE-CB 3.7Å; M130-L171 VanDerWaalsContact CE-O 3.26Å; M130-L171 WeakPolarHBondContact CE-O 3.37Å; M130-L171 HydrophobicContact SD-CB 4.18Å
131G93.3Very high93.2Very high12 Ų1236.5 Ų36.512%0.12418%0.181CC..THydrogen-bonded Turntrans-73.6-5.8179.300000115.8T129 Y133 Q164T129-G131 PolarHBondContact O-N 3.36Å; G131-Y133 PolarHBondContact O-N 3.3Å; G131-Y133 VanDerWaalsContact O-N 3.09Å; G131-Q164 PolarHBondContact O-NE2 3.45Å
132C93.4Very high92.7Very high6 Ų638.7 Ų38.74%0.04119%0.191CC..  trans47.939.8177.2-63.50000114.3T129 M130 E134 W160 Q164 L171T129-C132 PolarHBondContact O-N 2.84Å; T129-C132 VanDerWaalsContact O-N 3.14Å; T129-C132 PolarHBondContact OG1-N 3.33Å; M130-C132 PolarHBondContact O-N 3.34Å; C132-E134 PolarHBondContact O-N 2.89Å; C132-W160 WeakPolarHBondContact O-CZ2 3.4Å; C132-Q164 HydrophobicContact CB-CG 4.17Å; C132-Q164 VanDerWaalsContact O-CG 3.28Å; C132-Q164 WeakPolarHBondContact O-CG 3.4Å; C132-L171 VanDerWaalsContact SG-CD1 3.57Å
133Y91.2Very high92Very high171 Ų17143 Ų4367%0.67121%0.211SC*.  trans-59.4-21.7-167.8-59.9-64.8000115.4G131G131-Y133 PolarHBondContact O-N 3.3Å; G131-Y133 VanDerWaalsContact O-N 3.09Å
134E92.4Very high91.2Very high95 Ų9550 Ų5044%0.44424%0.244SC..SBendtrans-149.3156.6-179.648.6171.7-153.800111.1R127 C132 I136R127-E134 IonicContact CZ-OE1 2.66Å; R127-E134 VanDerWaalsContact CZ-OE1 3.27Å; R127-E134 IonicContact NE-OE1 2.7Å; R127-E134 PolarHBondContact NE-OE1 3.19Å; R127-E134 VanDerWaalsContact NH2-CG 3.34Å; R127-E134 IonicContact NH2-OE1 3.08Å; R127-E134 PolarHBondContact NH2-OE1 2.86Å; R127-E134 IonicContact NH2-OE2 3.38Å; R127-E134 PolarHBondContact NH2-OE2 2.74Å; C132-E134 PolarHBondContact O-N 2.89Å; E134-I136 WeakPolarHBondContact O-CG2 3.46Å; E134-I136 PolarHBondContact O-N 3.04Å
135P93Very high90.4Very high12 Ų1256.5 Ų56.58%0.07828%0.279CS..  trans-66.8117.8176.3-20.831.6000112.5R127 L137 C152 F157 W160R127-P135 PolarHBondContact NH1-O 2.78Å; R127-P135 PolarHBondContact NH2-O 3.5Å; P135-L137 VanDerWaalsContact C-N 3.34Å; P135-L137 PolarHBondContact O-N 3.3Å; P135-C152 HydrophobicContact CB-CB 4.35Å; P135-F157 HydrophobicContact CB-CE2 3.56Å; P135-F157 HydrophobicContact CB-CZ 3.81Å; P135-F157 HydrophobicContact CG-CD2 4.43Å; P135-F157 HydrophobicContact CG-CE2 3.62Å; P135-F157 HydrophobicContact CG-CZ 4.24Å; P135-W160 VanDerWaalsContact CA-CH2 3.47Å; P135-W160 HydrophobicContact CB-CE3 4.43Å; P135-W160 HydrophobicContact CB-CH2 4Å; P135-W160 HydrophobicContact CB-CZ3 3.93Å; P135-W160 VanDerWaalsContact CD-CZ2 3.43Å; P135-W160 HydrophobicContact CG-CD2 3.87Å; P135-W160 HydrophobicContact CG-CE3 3.77Å; P135-W160 HydrophobicContact CG-CH2 3.68Å; P135-W160 HydrophobicContact CG-CZ2 3.79Å; P135-W160 HydrophobicContact CG-CZ3 3.67Å; P135-W160 VanDerWaalsContact N-CH2 3.26Å
136I93.7Very high90.2Very high6 Ų661.7 Ų61.73%0.03130%0.297CS..  trans-95.336.7-174.863.1167.9000113.7L16 V123 D124 R127 F128 E134L16-I136 HydrophobicContact CD1-CD1 4.07Å; L16-I136 HydrophobicContact CD1-CG1 4.3Å; L16-I136 HydrophobicContact CD2-CD1 4.5Å; L16-I136 HydrophobicContact CG-CD1 4.28Å; V123-I136 HydrophobicContact CG1-CD1 3.96Å; V123-I136 HydrophobicContact CG1-CG1 4.29Å; D124-I136 PolarHBondContact N-O 3.47Å; R127-I136 HydrophobicContact CB-CB 4.2Å; R127-I136 HydrophobicContact CB-CG2 3.53Å; R127-I136 WeakPolarHBondContact O-CG2 3.29Å; F128-I136 HydrophobicContact CB-CD1 4.13Å; F128-I136 HydrophobicContact CD2-CD1 3.72Å; F128-I136 HydrophobicContact CG-CD1 4.34Å; E134-I136 WeakPolarHBondContact O-CG2 3.46Å; E134-I136 PolarHBondContact O-N 3.04Å
137L94.6Very high90.2Very high6 Ų660.6 Ų60.63%0.03128%0.284CS..EExtended strand (participates in β ladder)trans-117.5145.7-172.1-50176.9000111.8L7 Y12 M15 I121 M122 V123 P135 C152 F157L7-L137 HydrophobicContact CD1-CD1 3.39Å; Y12-L137 HydrophobicContact CD2-CD1 4.01Å; Y12-L137 HydrophobicContact CE2-CD1 3.96Å; Y12-L137 HydrophobicContact CE2-CD2 4.36Å; Y12-L137 HydrophobicContact CE2-CG 4.17Å; M15-L137 HydrophobicContact CE-CD1 3.6Å; M15-L137 HydrophobicContact CE-CD2 3.47Å; M15-L137 VanDerWaalsContact CE-CD2 3.47Å; M15-L137 HydrophobicContact CE-CG 4.19Å; M15-L137 HydrophobicContact SD-CD2 4.16Å; I121-L137 HydrophobicContact CG2-CB 4Å; I121-L137 HydrophobicContact CG2-CD1 4.17Å; I121-L137 HydrophobicContact CG2-CD2 3.93Å; I121-L137 HydrophobicContact CG2-CG 4.25Å; M122-L137 WeakPolarHBondContact O-CA 3.48Å; V123-L137 HydrophobicContact CB-CD2 4.46Å; V123-L137 HydrophobicContact CG1-CD2 4.45Å; V123-L137 HydrophobicContact CG2-CD2 3.98Å; P135-L137 VanDerWaalsContact C-N 3.34Å; P135-L137 PolarHBondContact O-N 3.3Å; L137-C152 HydrophobicContact CB-CB 3.79Å; L137-C152 WeakPolarHBondContact O-CB 2.99Å; L137-F157 HydrophobicContact CD1-CZ 4.13Å
138A94Very high90.2Very high8 Ų861.7 Ų61.77%0.06629%0.291CS..EExtended strand (participates in β ladder)trans-111.7118.716200000108.6F98 I121 M122 Y140F98-A138 HydrophobicContact CD2-CB 4.43Å; I121-A138 WeakPolarHBondContact CA-O 3.48Å; M122-A138 HydrophobicContact CB-CB 4.38Å; M122-A138 PolarHBondContact N-O 3.45Å; M122-A138 PolarHBondContact O-N 3.08Å; A138-Y140 HydrophobicContact CB-CE2 3.87Å
139I94.2Very high90.1Very high1 Ų162.2 Ų62.21%0.00530%0.302CS..EExtended strand (participates in β ladder)trans-100.2127.9-176.1-57.7175.7000108.6A119 I121 C149 R150 C152A119-I139 HydrophobicContact CB-CG2 4.27Å; I121-I139 HydrophobicContact CD1-CG1 4.37Å; I121-I139 HydrophobicContact CG1-CG1 4.3Å; I139-C149 CarbonylContact O-C 3.41Å; I139-R150 PolarHBondContact N-O 3.13Å; I139-R150 VanDerWaalsContact N-O 3.12Å; I139-R150 PolarHBondContact O-N 2.9Å; I139-R150 VanDerWaalsContact O-O 3.12Å; I139-C152 HydrophobicContact CD1-CB 4.16Å; I139-C152 HydrophobicContact CG1-CB 4.26Å
140Y94.1Very high89.8Confident28 Ų2861.8 Ų61.811%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-112.1116.9176.9-66.8-102.4000109.1P100 A119 M120 M122 A138 W147 K148 C149P100-Y140 WeakPolarHBondContact CD-OH 3.24Å; P100-Y140 HydrophobicContact CG-CD1 3.99Å; P100-Y140 HydrophobicContact CG-CD2 3.99Å; P100-Y140 HydrophobicContact CG-CE1 3.7Å; P100-Y140 HydrophobicContact CG-CE2 3.73Å; P100-Y140 HydrophobicContact CG-CG 4.13Å; A119-Y140 WeakPolarHBondContact CA-O 3.43Å; M120-Y140 HydrophobicContact CE-CD1 4.38Å; M120-Y140 HydrophobicContact CE-CD2 4.43Å; M120-Y140 HydrophobicContact CE-CG 3.97Å; M120-Y140 PolarHBondContact N-O 2.88Å; M120-Y140 WeakPolarHBondContact O-CB 3Å; M120-Y140 PolarHBondContact O-N 2.76Å; M122-Y140 HydrophobicContact CB-CE2 4.3Å; M122-Y140 HydrophobicContact CG-CD2 4.13Å; M122-Y140 HydrophobicContact CG-CE2 3.71Å; A138-Y140 HydrophobicContact CB-CE2 3.87Å; Y140-W147 HydrophobicContact CD1-CB 4.21Å; Y140-W147 WeakPolarHBondContact O-CZ3 3.19Å; Y140-K148 WeakPolarHBondContact CA-O 3.07Å; Y140-C149 HydrophobicContact CD1-CB 3.9Å; Y140-C149 HydrophobicContact CE1-CB 3.52Å
141D90.3Very high89.1Confident25 Ų2564.4 Ų64.413%0.13431%0.309CS..EExtended strand (participates in β ladder)trans-88140.6174.4-57.5-48.5000110.6W147 K148 R150D141-W147 WeakPolarHBondContact O-CA 3.49Å; D141-K148 PolarHBondContact N-O 3.33Å; D141-K148 PolarHBondContact O-N 3.02Å; D141-R150 IonicContact OD1-CZ 3.73Å; D141-R150 IonicContact OD1-NH2 3.79Å; D141-R150 PolarHBondContact OD1-NH2 3.16Å; D141-R150 IonicContact OD2-CZ 3.73Å; D141-R150 IonicContact OD2-NE 3.53Å; D141-R150 PolarHBondContact OD2-NE 3.05Å; D141-R150 IonicContact OD2-NH2 2.89Å; D141-R150 PolarHBondContact OD2-NH2 3.31Å
142H86.3Confident88.7Confident45 Ų4564.7 Ų64.721%0.20831%0.309CS..EExtended strand (participates in β ladder)trans-81.2118169.8-166.7-112.3000110.7A112 A118 W147A112-H142 HydrophobicContact CB-CB 4.41Å; A118-H142 PolarHBondContact O-N 3.32Å; H142-W147 HydrophobicContact CB-CE3 4.08Å; H142-W147 HydrophobicContact CB-CH2 3.77Å; H142-W147 HydrophobicContact CB-CZ2 4.32Å; H142-W147 HydrophobicContact CB-CZ3 3.64Å; H142-W147 AromaticContact CD2-CE2 3.86Å; H142-W147 AromaticContact CD2-CZ2 3.79Å
143H80.9Confident88.4Confident91 Ų9167.8 Ų67.842%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-144.7124.8176.3-174.4-82.6000111N145 K146 K148H143-N145 VanDerWaalsContact C-N 3.3Å; H143-N145 PolarHBondContact O-N 3.15Å; H143-K146 PolarHBondContact N-O 2.84Å; H143-K146 PolarHBondContact O-N 2.8Å; H143-K146 VanDerWaalsContact O-O 3.08Å; H143-K148 PolarHBondContact ND1-NZ 3.45Å
144E79.3Confident88.4Confident150 Ų15063.6 Ų63.670%0.70132%0.317SS*.THydrogen-bonded Turntrans50.647.2178.6-65.3165.7161.300112.9K146E144-K146 PolarHBondContact O-N 3.37Å
145N75.8Confident88.2Confident148 Ų14864.3 Ų64.379%0.79132%0.324SS*.THydrogen-bonded Turntrans61.322.5-178-57.5-24.3000114.6H143H143-N145 VanDerWaalsContact C-N 3.3Å; H143-N145 PolarHBondContact O-N 3.15Å
146K85.9Confident88.1Confident145 Ų14564 Ų6463%0.6332%0.322SS*.EExtended strand (participates in β ladder)trans-131.2142.3175.7-63.4-174.7-179179.70110.9H143 E144H143-K146 PolarHBondContact N-O 2.84Å; H143-K146 PolarHBondContact O-N 2.8Å; H143-K146 VanDerWaalsContact O-O 3.08Å; E144-K146 PolarHBondContact O-N 3.37Å
147W90.8Very high88.2Confident51 Ų5163.8 Ų63.819%0.19332%0.321CS..EExtended strand (participates in β ladder)trans-84.4119.2170.4-64.8105.8000109.7G108 M120 Y140 D141 H142G108-W147 VanDerWaalsContact C-CZ2 3.4Å; M120-W147 HydrophobicContact CB-CE3 4.04Å; M120-W147 HydrophobicContact CB-CH2 4.19Å; M120-W147 HydrophobicContact CB-CZ3 3.78Å; M120-W147 HydrophobicContact CE-CB 4.12Å; M120-W147 HydrophobicContact CE-CD2 3.69Å; M120-W147 HydrophobicContact CE-CE3 4.01Å; M120-W147 HydrophobicContact CE-CG 3.71Å; Y140-W147 HydrophobicContact CD1-CB 4.21Å; Y140-W147 WeakPolarHBondContact O-CZ3 3.19Å; D141-W147 WeakPolarHBondContact O-CA 3.49Å; H142-W147 HydrophobicContact CB-CE3 4.08Å; H142-W147 HydrophobicContact CB-CH2 3.77Å; H142-W147 HydrophobicContact CB-CZ2 4.32Å; H142-W147 HydrophobicContact CB-CZ3 3.64Å; H142-W147 AromaticContact CD2-CE2 3.86Å; H142-W147 AromaticContact CD2-CZ2 3.79Å
148K90.6Very high88.2Confident99 Ų9968.6 Ų68.643%0.4335%0.347SS..EExtended strand (participates in β ladder)trans-108.5120.2176.1-69.8-179.7-176.2168.40109.3Y140 D141 H143Y140-K148 WeakPolarHBondContact CA-O 3.07Å; D141-K148 PolarHBondContact N-O 3.33Å; D141-K148 PolarHBondContact O-N 3.02Å; H143-K148 PolarHBondContact ND1-NZ 3.45Å
149C90.8Very high88.3Confident72 Ų7271.8 Ų71.849%0.48636%0.363SS..EExtended strand (participates in β ladder)trans-68.2138.4176.7-167.40000110.5I139 Y140I139-C149 CarbonylContact O-C 3.41Å; Y140-C149 HydrophobicContact CD1-CB 3.9Å; Y140-C149 HydrophobicContact CE1-CB 3.52Å
150R88.1Confident88.4Confident46 Ų4672.6 Ų72.617%0.17437%0.366CS..EExtended strand (participates in β ladder)trans-132.7133.3170-168.1-154-46.8139.5-7.8107.7I139 D141I139-R150 PolarHBondContact N-O 3.13Å; I139-R150 VanDerWaalsContact N-O 3.12Å; I139-R150 PolarHBondContact O-N 2.9Å; I139-R150 VanDerWaalsContact O-O 3.12Å; D141-R150 IonicContact OD1-CZ 3.73Å; D141-R150 IonicContact OD1-NH2 3.79Å; D141-R150 PolarHBondContact OD1-NH2 3.16Å; D141-R150 IonicContact OD2-CZ 3.73Å; D141-R150 IonicContact OD2-NE 3.53Å; D141-R150 PolarHBondContact OD2-NE 3.05Å; D141-R150 IonicContact OD2-NH2 2.89Å; D141-R150 PolarHBondContact OD2-NH2 3.31Å
151D77.6Confident88.5Confident136 Ų13675.5 Ų75.573%0.72739%0.389SS*.EExtended strand (participates in β ladder)trans-64.3137.2173.2-60-35.1000109.7
152C86.1Confident88.8Confident17 Ų1777.4 Ų77.412%0.11540%0.397CS..  trans-80.6130173.4-170.60000109.4P135 L137 I139 S156 F157P135-C152 HydrophobicContact CB-CB 4.35Å; L137-C152 HydrophobicContact CB-CB 3.79Å; L137-C152 WeakPolarHBondContact O-CB 2.99Å; I139-C152 HydrophobicContact CD1-CB 4.16Å; I139-C152 HydrophobicContact CG1-CB 4.26Å; C152-S156 VanDerWaalsContact SG-CB 3.51Å; C152-F157 VanDerWaalsContact SG-CE2 3.51Å
153N87.8Confident89.3Confident72 Ų7275.2 Ų75.239%0.38539%0.387SS..  trans-132.1-179.2177.770.7-5000109.9D155 S156 F157N153-D155 PolarHBondContact ND2-OD2 3.46Å; N153-D155 VanDerWaalsContact ND2-OD2 3.08Å; N153-D155 PolarHBondContact O-N 3.29Å; N153-D155 VanDerWaalsContact O-N 3.16Å; N153-D155 WeakPolarHBondContact OD1-CB 2.96Å; N153-D155 PolarHBondContact OD1-N 2.69Å; N153-D155 VanDerWaalsContact OD1-N 3.12Å; N153-S156 PolarHBondContact N-OG 3.36Å; N153-S156 WeakPolarHBondContact O-CB 3.47Å; N153-S156 PolarHBondContact O-N 3.01Å; N153-S156 PolarHBondContact O-OG 3.12Å; N153-S156 PolarHBondContact OD1-N 3.39Å; N153-S156 PolarHBondContact OD1-OG 3.25Å; N153-F157 WeakPolarHBondContact O-CD2 3.25Å; N153-F157 WeakPolarHBondContact O-CE2 3.35Å
154V89.3Confident90.1Very high83 Ų8373.1 Ų73.150%0.50338%0.378SS..G310 helixtrans-53-36177.5172.80000112.4S156 F157 W160V154-S156 PolarHBondContact O-N 3.27Å; V154-F157 PolarHBondContact O-N 3.31Å; V154-W160 HydrophobicContact CB-CB 4.33Å; V154-W160 HydrophobicContact CG1-CB 3.79Å; V154-W160 HydrophobicContact CG1-CG 4.35Å; V154-W160 HydrophobicContact CG2-CB 4.37Å; V154-W160 HydrophobicContact CG2-CG 4.05Å
155D88.8Confident91Very high109 Ų10973 Ų7358%0.58338%0.375SS*.G310 helixtrans-69.5-14.4-179.9-53.3-47.6000113.7K6 N153 F157K6-D155 WeakPolarHBondContact CE-O 3.47Å; K6-D155 PolarHBondContact NZ-O 2.68Å; N153-D155 PolarHBondContact ND2-OD2 3.46Å; N153-D155 VanDerWaalsContact ND2-OD2 3.08Å; N153-D155 PolarHBondContact O-N 3.29Å; N153-D155 VanDerWaalsContact O-N 3.16Å; N153-D155 WeakPolarHBondContact OD1-CB 2.96Å; N153-D155 PolarHBondContact OD1-N 2.69Å; N153-D155 VanDerWaalsContact OD1-N 3.12Å; D155-F157 PolarHBondContact O-N 3.44Å
156S92.3Very high92.1Very high5 Ų566.1 Ų66.14%0.03534%0.338CS..G310 helixtrans-76.5-1.6175.7-53.70000112.6K6 L7 C152 N153 V154K6-S156 CarbonylContact C-O 3.43Å; K6-S156 VanDerWaalsContact CA-O 3.24Å; K6-S156 WeakPolarHBondContact CA-O 3.33Å; L7-S156 PolarHBondContact N-O 3.3Å; C152-S156 VanDerWaalsContact SG-CB 3.51Å; N153-S156 PolarHBondContact N-OG 3.36Å; N153-S156 WeakPolarHBondContact O-CB 3.47Å; N153-S156 PolarHBondContact O-N 3.01Å; N153-S156 PolarHBondContact O-OG 3.12Å; N153-S156 PolarHBondContact OD1-N 3.39Å; N153-S156 PolarHBondContact OD1-OG 3.25Å; V154-S156 PolarHBondContact O-N 3.27Å
157F94.8Very high92.6Very high2 Ų259.2 Ų59.21%0.00931%0.308CS..BIsolated β-bridgetrans-115.1161.8177.4-59.5-93.3000110.6K6 L7 Y12 P135 L137 C152 N153 V154 D155 W160 A163K6-F157 PolarHBondContact NZ-O 3.46Å; L7-F157 HydrophobicContact CB-CD1 4.01Å; L7-F157 HydrophobicContact CB-CE1 4.18Å; L7-F157 HydrophobicContact CD1-CE1 4.05Å; L7-F157 HydrophobicContact CD1-CZ 4.46Å; L7-F157 CarbonylContact O-C 3.55Å; L7-F157 WeakPolarHBondContact O-CA 3.48Å; Y12-F157 HydrophobicContact CD1-CE1 4.33Å; Y12-F157 AromaticContact CD2-CE1 3.55Å; Y12-F157 HydrophobicContact CD2-CE1 3.55Å; Y12-F157 HydrophobicContact CD2-CZ 4.06Å; Y12-F157 AromaticContact CE2-CE1 3.93Å; Y12-F157 HydrophobicContact CE2-CE1 3.93Å; Y12-F157 HydrophobicContact CE2-CZ 4.01Å; Y12-F157 AromaticContact CG-CE1 3.75Å; Y12-F157 HydrophobicContact CG-CE1 3.75Å; P135-F157 HydrophobicContact CB-CE2 3.56Å; P135-F157 HydrophobicContact CB-CZ 3.81Å; P135-F157 HydrophobicContact CG-CD2 4.43Å; P135-F157 HydrophobicContact CG-CE2 3.62Å; P135-F157 HydrophobicContact CG-CZ 4.24Å; L137-F157 HydrophobicContact CD1-CZ 4.13Å; C152-F157 VanDerWaalsContact SG-CE2 3.51Å; N153-F157 WeakPolarHBondContact O-CD2 3.25Å; N153-F157 WeakPolarHBondContact O-CE2 3.35Å; V154-F157 PolarHBondContact O-N 3.31Å; D155-F157 PolarHBondContact O-N 3.44Å; F157-W160 HydrophobicContact CB-CB 4.18Å; F157-W160 AromaticContact CD1-CE3 3.88Å; F157-W160 HydrophobicContact CD1-CE3 3.88Å; F157-W160 HydrophobicContact CD1-CZ3 4.34Å; F157-W160 HydrophobicContact CD2-CB 4.33Å; F157-W160 HydrophobicContact CD2-CD2 4.28Å; F157-W160 AromaticContact CD2-CE3 3.56Å; F157-W160 HydrophobicContact CD2-CE3 3.56Å; F157-W160 HydrophobicContact CD2-CZ3 4.31Å; F157-W160 AromaticContact CE1-CE3 3.79Å; F157-W160 HydrophobicContact CE1-CE3 3.79Å; F157-W160 AromaticContact CE1-CZ3 3.8Å; F157-W160 HydrophobicContact CE1-CZ3 3.8Å; F157-W160 HydrophobicContact CE2-CD2 4.41Å; F157-W160 AromaticContact CE2-CE3 3.49Å; F157-W160 HydrophobicContact CE2-CE3 3.49Å; F157-W160 VanDerWaalsContact CE2-CE3 3.49Å; F157-W160 AromaticContact CE2-CZ3 3.8Å; F157-W160 HydrophobicContact CE2-CZ3 3.8Å; F157-W160 HydrophobicContact CG-CB 4.35Å; F157-W160 AromaticContact CG-CE3 3.77Å; F157-W160 HydrophobicContact CG-CE3 3.77Å; F157-W160 AromaticContact CZ-CE3 3.61Å; F157-W160 HydrophobicContact CZ-CE3 3.61Å; F157-W160 AromaticContact CZ-CZ3 3.51Å; F157-W160 HydrophobicContact CZ-CZ3 3.51Å; F157-A163 HydrophobicContact CD1-CB 4.37Å
158D94.3Very high93Very high108 Ų10857.6 Ų57.658%0.57830%0.304SS*.SBendtrans-72.2-55.4166.6-15931.2000110L7 L49L7-D158 PolarHBondContact O-N 2.71Å; L49-D158 HydrophobicContact CD1-CB 4.04Å
159D95.7Very high93.4Very high75 Ų7554.7 Ų54.740%0.40130%0.299SS..  trans-136.1106.7167.8-171-31.6000110C161 E162 A163D159-C161 WeakPolarHBondContact OD1-CB 3.44Å; D159-C161 PolarHBondContact OD1-N 3.45Å; D159-E162 HydrophobicContact CB-CB 3.94Å; D159-E162 PolarHBondContact OD1-N 3.36Å; D159-A163 VanDerWaalsContact O-CB 3.28Å; D159-A163 WeakPolarHBondContact O-CB 3.25Å; D159-A163 PolarHBondContact O-N 2.86Å
160W96Very high93.7Very high17 Ų1751.5 Ų51.56%0.06428%0.277CS..Hα-helixtrans-69.4-38179171.6-108.2000113Y12 C132 P135 V154 F157 E162 A163 Q164Y12-W160 HydrophobicContact CD1-CZ3 4.41Å; Y12-W160 HydrophobicContact CE1-CH2 4.06Å; Y12-W160 AromaticContact CE1-CZ3 3.7Å; Y12-W160 HydrophobicContact CE1-CZ3 3.7Å; Y12-W160 HydrophobicContact CE2-CZ3 4.27Å; Y12-W160 AromaticContact CZ-CH2 3.87Å; Y12-W160 AromaticContact CZ-CZ3 3.6Å; Y12-W160 WeakPolarHBondContact OH-CH2 3.36Å; C132-W160 WeakPolarHBondContact O-CZ2 3.4Å; P135-W160 VanDerWaalsContact CA-CH2 3.47Å; P135-W160 HydrophobicContact CB-CE3 4.43Å; P135-W160 HydrophobicContact CB-CH2 4Å; P135-W160 HydrophobicContact CB-CZ3 3.93Å; P135-W160 VanDerWaalsContact CD-CZ2 3.43Å; P135-W160 HydrophobicContact CG-CD2 3.87Å; P135-W160 HydrophobicContact CG-CE3 3.77Å; P135-W160 HydrophobicContact CG-CH2 3.68Å; P135-W160 HydrophobicContact CG-CZ2 3.79Å; P135-W160 HydrophobicContact CG-CZ3 3.67Å; P135-W160 VanDerWaalsContact N-CH2 3.26Å; V154-W160 HydrophobicContact CB-CB 4.33Å; V154-W160 HydrophobicContact CG1-CB 3.79Å; V154-W160 HydrophobicContact CG1-CG 4.35Å; V154-W160 HydrophobicContact CG2-CB 4.37Å; V154-W160 HydrophobicContact CG2-CG 4.05Å; F157-W160 HydrophobicContact CB-CB 4.18Å; F157-W160 AromaticContact CD1-CE3 3.88Å; F157-W160 HydrophobicContact CD1-CE3 3.88Å; F157-W160 HydrophobicContact CD1-CZ3 4.34Å; F157-W160 HydrophobicContact CD2-CB 4.33Å; F157-W160 HydrophobicContact CD2-CD2 4.28Å; F157-W160 AromaticContact CD2-CE3 3.56Å; F157-W160 HydrophobicContact CD2-CE3 3.56Å; F157-W160 HydrophobicContact CD2-CZ3 4.31Å; F157-W160 AromaticContact CE1-CE3 3.79Å; F157-W160 HydrophobicContact CE1-CE3 3.79Å; F157-W160 AromaticContact CE1-CZ3 3.8Å; F157-W160 HydrophobicContact CE1-CZ3 3.8Å; F157-W160 HydrophobicContact CE2-CD2 4.41Å; F157-W160 AromaticContact CE2-CE3 3.49Å; F157-W160 HydrophobicContact CE2-CE3 3.49Å; F157-W160 VanDerWaalsContact CE2-CE3 3.49Å; F157-W160 AromaticContact CE2-CZ3 3.8Å; F157-W160 HydrophobicContact CE2-CZ3 3.8Å; F157-W160 HydrophobicContact CG-CB 4.35Å; F157-W160 AromaticContact CG-CE3 3.77Å; F157-W160 HydrophobicContact CG-CE3 3.77Å; F157-W160 AromaticContact CZ-CE3 3.61Å; F157-W160 HydrophobicContact CZ-CE3 3.61Å; F157-W160 AromaticContact CZ-CZ3 3.51Å; F157-W160 HydrophobicContact CZ-CZ3 3.51Å; W160-E162 VanDerWaalsContact C-N 3.32Å; W160-E162 PolarHBondContact O-N 3.23Å; W160-A163 PolarHBondContact O-N 3.38Å; W160-Q164 HydrophobicContact CZ2-CB 4.08Å; W160-Q164 VanDerWaalsContact O-CB 3.3Å; W160-Q164 WeakPolarHBondContact O-CB 3.49Å; W160-Q164 PolarHBondContact O-N 3.17Å
161C96.3Very high94.2Very high90 Ų9049.3 Ų49.361%0.60827%0.269SS*.Hα-helixtrans-65.9-41.8-176.6-71.60000110.3D159 K165D159-C161 WeakPolarHBondContact OD1-CB 3.44Å; D159-C161 PolarHBondContact OD1-N 3.45Å; C161-K165 WeakPolarHBondContact O-CB 3.2Å; C161-K165 PolarHBondContact O-N 3.45Å; C161-K165 VanDerWaalsContact O-N 3.11Å
162E97.2Very high95.1Very high64 Ų6449.1 Ų49.130%0.29926%0.264SS..Hα-helixtrans-63-51.9171.6-170.8-169.898.300111T9 D159 W160 Q164 K165 I166 C206T9-E162 WeakPolarHBondContact CB-OE1 3.26Å; T9-E162 PolarHBondContact OG1-OE1 3.45Å; D159-E162 HydrophobicContact CB-CB 3.94Å; D159-E162 PolarHBondContact OD1-N 3.36Å; W160-E162 VanDerWaalsContact C-N 3.32Å; W160-E162 PolarHBondContact O-N 3.23Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 2.89Å; E162-K165 PolarHBondContact O-N 3.39Å; E162-K165 VanDerWaalsContact O-N 3.16Å; E162-I166 HydrophobicContact CG-CD1 3.6Å; E162-I166 HydrophobicContact CG-CG1 4.18Å; E162-I166 WeakPolarHBondContact O-CG1 3.45Å; E162-I166 PolarHBondContact O-N 3.33Å; E162-C206 PolarHBondContact OE1-SG 3.44Å; E162-C206 VanDerWaalsContact OE1-SG 3.34Å
163A97.4Very high95.7Very high0 Ų051 Ų510%029%0.286CS..Hα-helixtrans-55.6-44.6-179.500000112.5T9 Y12 F157 D159 W160 T167T9-A163 HydrophobicContact CG2-CB 4.29Å; Y12-A163 HydrophobicContact CD1-CB 4.16Å; F157-A163 HydrophobicContact CD1-CB 4.37Å; D159-A163 VanDerWaalsContact O-CB 3.28Å; D159-A163 WeakPolarHBondContact O-CB 3.25Å; D159-A163 PolarHBondContact O-N 2.86Å; W160-A163 PolarHBondContact O-N 3.38Å; A163-T167 WeakPolarHBondContact O-CB 3.42Å; A163-T167 PolarHBondContact O-N 3.47Å; A163-T167 PolarHBondContact O-OG1 3.11Å
164Q97.4Very high96.1Very high47 Ų4754.2 Ų54.222%0.2229%0.293CS..Hα-helixtrans-59.9-54.6175.1172179.38.100111.5G131 C132 W160 E162 I166 T167 S168G131-Q164 PolarHBondContact O-NE2 3.45Å; C132-Q164 HydrophobicContact CB-CG 4.17Å; C132-Q164 VanDerWaalsContact O-CG 3.28Å; C132-Q164 WeakPolarHBondContact O-CG 3.4Å; W160-Q164 HydrophobicContact CZ2-CB 4.08Å; W160-Q164 VanDerWaalsContact O-CB 3.3Å; W160-Q164 WeakPolarHBondContact O-CB 3.49Å; W160-Q164 PolarHBondContact O-N 3.17Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 2.89Å; Q164-I166 PolarHBondContact O-N 2.92Å; Q164-T167 PolarHBondContact O-N 2.84Å; Q164-S168 WeakPolarHBondContact O-CB 3.45Å; Q164-S168 PolarHBondContact O-N 3.41Å
165K98.1Very high96.6Very high148 Ų14851.3 Ų51.364%0.64328%0.276SS*.Hα-helixtrans-60.1-47.5-175-179.8-170.7170.4-157.70111.3C161 E162 A169C161-K165 WeakPolarHBondContact O-CB 3.2Å; C161-K165 PolarHBondContact O-N 3.45Å; C161-K165 VanDerWaalsContact O-N 3.11Å; E162-K165 PolarHBondContact O-N 3.39Å; E162-K165 VanDerWaalsContact O-N 3.16Å; K165-A169 PolarHBondContact O-N 3.11Å; K165-A169 VanDerWaalsContact O-N 3.1Å
166I98.3Very high97Very high3 Ų348.3 Ų48.32%0.01526%0.257CS..Hα-helixtrans-69.2-44.4-178.1-63.1-174.5000110.6T9 E162 Q164 S168 A169 L170 V202 L205 C206T9-I166 HydrophobicContact CG2-CB 3.87Å; T9-I166 HydrophobicContact CG2-CD1 3.86Å; T9-I166 HydrophobicContact CG2-CG1 4.31Å; T9-I166 HydrophobicContact CG2-CG2 4.09Å; E162-I166 HydrophobicContact CG-CD1 3.6Å; E162-I166 HydrophobicContact CG-CG1 4.18Å; E162-I166 WeakPolarHBondContact O-CG1 3.45Å; E162-I166 PolarHBondContact O-N 3.33Å; Q164-I166 PolarHBondContact O-N 2.92Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 2.86Å; I166-A169 PolarHBondContact O-N 3.15Å; I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CG 3.47Å; I166-L170 PolarHBondContact O-N 3.44Å; I166-V202 HydrophobicContact CG2-CB 4.5Å; I166-V202 HydrophobicContact CG2-CG1 4.35Å; I166-V202 HydrophobicContact CG2-CG2 4.3Å; I166-L205 HydrophobicContact CD1-CB 4.05Å; I166-L205 HydrophobicContact CG1-CB 3.94Å; I166-L205 HydrophobicContact CG2-CB 4.11Å; I166-L205 HydrophobicContact CG2-CD1 4.15Å; I166-C206 HydrophobicContact CD1-CB 4.2Å; I166-C206 WeakPolarHBondContact CD1-SG 3.36Å
167T97.9Very high97.2Very high0 Ų053.1 Ų53.10%028%0.279CS..Hα-helixtrans-60.8-43.7178.2-53.30000111.2Y12 C13 L16 A163 Q164 A169 L170 L171Y12-T167 HydrophobicContact CD1-CG2 4.48Å; Y12-T167 WeakPolarHBondContact CD1-OG1 3.33Å; Y12-T167 HydrophobicContact CE1-CG2 4.36Å; C13-T167 PolarHBondContact SG-OG1 3.48Å; L16-T167 HydrophobicContact CB-CG2 4.06Å; L16-T167 HydrophobicContact CD2-CG2 4.05Å; A163-T167 WeakPolarHBondContact O-CB 3.42Å; A163-T167 PolarHBondContact O-N 3.47Å; A163-T167 PolarHBondContact O-OG1 3.11Å; Q164-T167 PolarHBondContact O-N 2.84Å; T167-A169 PolarHBondContact O-N 3.47Å; T167-L170 PolarHBondContact O-N 3.23Å; T167-L171 HydrophobicContact CG2-CD1 3.91Å; T167-L171 HydrophobicContact CG2-CG 4.29Å; T167-L171 WeakPolarHBondContact O-CB 3.23Å; T167-L171 VanDerWaalsContact O-CG 3.26Å; T167-L171 WeakPolarHBondContact O-CG 3.37Å; T167-L171 PolarHBondContact O-N 3.12Å
168S98.2Very high97.3Very high16 Ų1656.7 Ų56.711%0.11230%0.304CS..Hα-helixtrans-58.2-47.6175.9-170.60000111.7M130 Q164 I166 L170 L171 E172M130-S168 WeakPolarHBondContact O-CA 3.5Å; M130-S168 PolarHBondContact O-OG 3.44Å; Q164-S168 WeakPolarHBondContact O-CB 3.45Å; Q164-S168 PolarHBondContact O-N 3.41Å; I166-S168 VanDerWaalsContact C-N 3.32Å; I166-S168 PolarHBondContact O-N 2.86Å; S168-L170 PolarHBondContact O-N 3.34Å; S168-L171 PolarHBondContact O-N 3.38Å; S168-E172 WeakPolarHBondContact O-CB 3.46Å; S168-E172 WeakPolarHBondContact O-CG 3.41Å; S168-E172 PolarHBondContact O-N 3.07Å; S168-E172 PolarHBondContact OG-OE1 3.28Å
169A98.3Very high97.5Very high39 Ų3951.6 Ų51.632%0.32228%0.277SS..Hα-helixtrans-62.5-42.1179.100000112.4K165 I166 T167 G173 L205K165-A169 PolarHBondContact O-N 3.11Å; K165-A169 VanDerWaalsContact O-N 3.1Å; I166-A169 PolarHBondContact O-N 3.15Å; T167-A169 PolarHBondContact O-N 3.47Å; A169-G173 PolarHBondContact O-N 2.95Å; A169-L205 HydrophobicContact CB-CD1 4.26Å
170L98.2Very high97.7Very high5 Ų549.4 Ų49.43%0.02627%0.265CS..Hα-helixtrans-67.9-37.4178.2-68.3175.7000112.4C13 L17 I166 T167 S168 R174 S175 V202 L205C13-L170 HydrophobicContact CB-CD1 4.11Å; L17-L170 HydrophobicContact CD1-CB 4.4Å; L17-L170 HydrophobicContact CD1-CD1 4.3Å; L17-L170 HydrophobicContact CD2-CB 4.15Å; I166-L170 HydrophobicContact CG2-CD1 3.9Å; I166-L170 HydrophobicContact CG2-CG 4.27Å; I166-L170 WeakPolarHBondContact O-CG 3.47Å; I166-L170 PolarHBondContact O-N 3.44Å; T167-L170 PolarHBondContact O-N 3.23Å; S168-L170 PolarHBondContact O-N 3.34Å; L170-R174 PolarHBondContact O-N 3.42Å; L170-S175 WeakPolarHBondContact CD2-OG 3.39Å; L170-S175 WeakPolarHBondContact O-CB 3.2Å; L170-S175 PolarHBondContact O-N 3.32Å; L170-S175 PolarHBondContact O-OG 3.17Å; L170-S175 VanDerWaalsContact O-OG 3.13Å; L170-V202 HydrophobicContact CD1-CG2 3.7Å; L170-L205 HydrophobicContact CD2-CD1 3.85Å; L170-L205 HydrophobicContact CG-CD1 4.12Å
171L98.1Very high97.7Very high0 Ų048.6 Ų48.60%026%0.262CS..Hα-helixtrans-65.6-48.4174.5-75.3170.9000111.3L17 A20 F128 M130 C132 T167 S168 G173 R174 Y176L17-L171 HydrophobicContact CD2-CD2 3.91Å; L17-L171 HydrophobicContact CD2-CG 4.27Å; A20-L171 HydrophobicContact CB-CD2 3.61Å; F128-L171 HydrophobicContact CZ-CD1 4.07Å; F128-L171 HydrophobicContact CZ-CD2 3.97Å; M130-L171 VanDerWaalsContact CE-C 3.42Å; M130-L171 HydrophobicContact CE-CB 3.7Å; M130-L171 VanDerWaalsContact CE-O 3.26Å; M130-L171 WeakPolarHBondContact CE-O 3.37Å; M130-L171 HydrophobicContact SD-CB 4.18Å; C132-L171 VanDerWaalsContact SG-CD1 3.57Å; T167-L171 HydrophobicContact CG2-CD1 3.91Å; T167-L171 HydrophobicContact CG2-CG 4.29Å; T167-L171 WeakPolarHBondContact O-CB 3.23Å; T167-L171 VanDerWaalsContact O-CG 3.26Å; T167-L171 WeakPolarHBondContact O-CG 3.37Å; T167-L171 PolarHBondContact O-N 3.12Å; S168-L171 PolarHBondContact O-N 3.38Å; L171-G173 VanDerWaalsContact C-N 3.29Å; L171-G173 PolarHBondContact O-N 3.45Å; L171-R174 PolarHBondContact O-N 3.24Å; L171-Y176 HydrophobicContact CD2-CD1 4.07Å; L171-Y176 WeakPolarHBondContact O-CE1 3.49Å
172E97.4Very high97.8Very high132 Ų13244.3 Ų44.362%0.61723%0.233SC*.Hα-helixtrans-59.6-40.4176.1-74.7174.1-168.700112S168 R174S168-E172 WeakPolarHBondContact O-CB 3.46Å; S168-E172 WeakPolarHBondContact O-CG 3.41Å; S168-E172 PolarHBondContact O-N 3.07Å; S168-E172 PolarHBondContact OG-OE1 3.28Å; E172-R174 PolarHBondContact O-N 3.2Å
173G97.4Very high97.7Very high57 Ų5743.1 Ų43.159%0.58823%0.228SC*.THydrogen-bonded Turntrans-73.21.117400000115A169 L171 S175A169-G173 PolarHBondContact O-N 2.95Å; L171-G173 VanDerWaalsContact C-N 3.29Å; L171-G173 PolarHBondContact O-N 3.45Å; G173-S175 PolarHBondContact O-N 3.28Å
174R97.8Very high97.7Very high138 Ų13844.2 Ų44.252%0.52124%0.235SC..THydrogen-bonded Turntrans56.432.6-179-54.7173.967.61702.7114L170 L171 E172 Y176 E177L170-R174 PolarHBondContact O-N 3.42Å; L171-R174 PolarHBondContact O-N 3.24Å; E172-R174 PolarHBondContact O-N 3.2Å; R174-Y176 HydrophobicContact CB-CE1 4.12Å; R174-Y176 HydrophobicContact CB-CE2 4.5Å; R174-Y176 HydrophobicContact CG-CE1 4.24Å; R174-Y176 PolarHBondContact O-N 2.95Å; R174-E177 HydrophobicContact CB-CG 4.33Å; R174-E177 IonicContact CZ-OE1 3.01Å; R174-E177 IonicContact NE-OE1 2.82Å; R174-E177 PolarHBondContact NE-OE1 2.95Å; R174-E177 IonicContact NE-OE2 3.94Å; R174-E177 IonicContact NH2-OE1 2.59Å; R174-E177 PolarHBondContact NH2-OE1 3.49Å; R174-E177 PolarHBondContact O-N 3.19Å
175S97.9Very high97.7Very high23 Ų2343.3 Ų43.316%0.16123%0.23CC..G310 helixtrans-62.7-14.5178.7-53.70000112.9L170 G173 E177 S178 L179L170-S175 WeakPolarHBondContact CD2-OG 3.39Å; L170-S175 WeakPolarHBondContact O-CB 3.2Å; L170-S175 PolarHBondContact O-N 3.32Å; L170-S175 PolarHBondContact O-OG 3.17Å; L170-S175 VanDerWaalsContact O-OG 3.13Å; G173-S175 PolarHBondContact O-N 3.28Å; S175-E177 PolarHBondContact O-N 3.26Å; S175-S178 PolarHBondContact O-N 2.62Å; S175-S178 PolarHBondContact O-OG 3.01Å; S175-S178 VanDerWaalsContact O-OG 3.05Å; S175-L179 PolarHBondContact O-N 3Å
176Y97.7Very high97.5Very high46 Ų4639.3 Ų39.318%0.1822%0.215CC..G310 helixtrans-66.5-20.5173.954.8-101000112.9L17 A20 K21 L171 R174 S178 L179L17-Y176 HydrophobicContact CD2-CD1 4.34Å; L17-Y176 VanDerWaalsContact O-CB 3.23Å; L17-Y176 WeakPolarHBondContact O-CB 3.35Å; A20-Y176 HydrophobicContact CB-CD1 4Å; A20-Y176 HydrophobicContact CB-CG 4.07Å; K21-Y176 VanDerWaalsContact CD-O 3.25Å; K21-Y176 WeakPolarHBondContact CD-O 3.4Å; K21-Y176 WeakPolarHBondContact CG-O 3.1Å; L171-Y176 HydrophobicContact CD2-CD1 4.07Å; L171-Y176 WeakPolarHBondContact O-CE1 3.49Å; R174-Y176 HydrophobicContact CB-CE1 4.12Å; R174-Y176 HydrophobicContact CB-CE2 4.5Å; R174-Y176 HydrophobicContact CG-CE1 4.24Å; R174-Y176 PolarHBondContact O-N 2.95Å; Y176-S178 VanDerWaalsContact C-N 3.33Å; Y176-L179 PolarHBondContact O-N 3.47Å
177E97.5Very high97.3Very high106 Ų10645.9 Ų45.950%0.49525%0.25SS..G310 helixtrans-70.6-31.5178-64.4-175169.700112.6R174 S175R174-E177 HydrophobicContact CB-CG 4.33Å; R174-E177 IonicContact CZ-OE1 3.01Å; R174-E177 IonicContact NE-OE1 2.82Å; R174-E177 PolarHBondContact NE-OE1 2.95Å; R174-E177 IonicContact NE-OE2 3.94Å; R174-E177 IonicContact NH2-OE1 2.59Å; R174-E177 PolarHBondContact NH2-OE1 3.49Å; R174-E177 PolarHBondContact O-N 3.19Å; S175-E177 PolarHBondContact O-N 3.26Å
178S96.9Very high97.3Very high77 Ų7748 Ų4854%0.53826%0.262SS..SBendtrans-93.2-5.4178.258.20000113.6S175 Y176 I180S175-S178 PolarHBondContact O-N 2.62Å; S175-S178 PolarHBondContact O-OG 3.01Å; S175-S178 VanDerWaalsContact O-OG 3.05Å; Y176-S178 VanDerWaalsContact C-N 3.33Å; S178-I180 PolarHBondContact O-N 3.26Å
179L98.4Very high97.1Very high0 Ų053.4 Ų53.40%029%0.289CS..  trans-64.8129.6174.8-178.9105.3000109.8K14 L17 H18 K21 P55 S175 Y176 N195 I198K14-L179 HydrophobicContact CB-CD1 4.38Å; K14-L179 HydrophobicContact CG-CD1 4.32Å; L17-L179 HydrophobicContact CB-CD1 4.06Å; H18-L179 HydrophobicContact CB-CD2 3.66Å; K21-L179 PolarHBondContact NZ-O 2.69Å; P55-L179 HydrophobicContact CB-CD2 4.43Å; P55-L179 HydrophobicContact CG-CD1 4.16Å; P55-L179 HydrophobicContact CG-CD2 4.07Å; P55-L179 HydrophobicContact CG-CG 4.33Å; S175-L179 PolarHBondContact O-N 3Å; Y176-L179 PolarHBondContact O-N 3.47Å; L179-N195 WeakPolarHBondContact CA-OD1 3.28Å; L179-I198 HydrophobicContact CB-CD1 3.6Å; L179-I198 HydrophobicContact CD1-CD1 3.47Å; L179-I198 VanDerWaalsContact CD1-CD1 3.47Å; L179-I198 HydrophobicContact CG-CD1 4.03Å
180I98.5Very high97.1Very high30 Ų3061.3 Ų61.315%0.15431%0.31CS..  trans-102.7124.8177.1-60.9-52.5000109.2S178 N184 N191 N195S178-I180 PolarHBondContact O-N 3.26Å; I180-N184 HydrophobicContact CG2-CB 4.16Å; I180-N191 HydrophobicContact CD1-CB 4.14Å; I180-N191 HydrophobicContact CG1-CB 4.19Å; I180-N191 HydrophobicContact CG2-CB 3.6Å; I180-N195 PolarHBondContact N-OD1 2.72Å; I180-N195 PolarHBondContact O-ND2 3.06Å
181D97.9Very high97.1Very high0 Ų063.5 Ų63.50%032%0.322CS..  trans-97.9178.416662.826.9000111.6H18 Y22 P55 H58 D183 N184 H185H18-D181 IonicContact NE2-OD2 3Å; Y22-D181 WeakPolarHBondContact CE2-OD2 3.42Å; Y22-D181 VanDerWaalsContact CZ-OD2 3.3Å; Y22-D181 PolarHBondContact OH-OD2 3.12Å; P55-D181 HydrophobicContact CB-CB 3.67Å; H58-D181 IonicContact CE1-OD1 2.58Å; H58-D181 IonicContact CE1-OD2 2.69Å; H58-D181 PolarHBondContact CE1-OD2 3.08Å; H58-D181 IonicContact CG-OD2 3.27Å; H58-D181 IonicContact ND1-OD1 2.61Å; H58-D181 IonicContact ND1-OD2 3.53Å; H58-D181 PolarHBondContact ND1-OD2 3.16Å; D181-D183 PolarHBondContact OD1-N 3.15Å; D181-N184 PolarHBondContact O-N 2.94Å; D181-N184 WeakPolarHBondContact OD1-CB 3.36Å; D181-N184 PolarHBondContact OD1-N 3.23Å; D181-N184 PolarHBondContact OD1-ND2 3Å; D181-N184 PolarHBondContact OD1-OD1 2.82Å; D181-H185 PolarHBondContact O-N 3.35Å; D181-H185 VanDerWaalsContact O-N 3.11Å
182F97.1Very high97.1Very high0 Ų066.8 Ų66.80%034%0.34CS..Hα-helixtrans-70.9-31-178.4-152.4-97000112.5P55 L56 F57 A70 L73 I74 H185 L186 W193P55-F182 PolarHBondContact O-N 3.05Å; P55-F182 VanDerWaalsContact O-N 3.1Å; L56-F182 HydrophobicContact CD2-CB 3.96Å; L56-F182 HydrophobicContact CD2-CD2 4.48Å; L56-F182 HydrophobicContact CD2-CG 4.2Å; L56-F182 WeakPolarHBondContact O-CA 3.44Å; L56-F182 WeakPolarHBondContact O-CB 3.23Å; L56-F182 PolarHBondContact O-N 3.41Å; F57-F182 HydrophobicContact CE1-CB 4.33Å; F57-F182 HydrophobicContact CE1-CD1 4.02Å; F57-F182 HydrophobicContact CZ-CD1 4.36Å; A70-F182 HydrophobicContact CB-CD1 3.64Å; A70-F182 HydrophobicContact CB-CD2 4.5Å; A70-F182 HydrophobicContact CB-CE1 3.54Å; A70-F182 HydrophobicContact CB-CE2 4.42Å; A70-F182 HydrophobicContact CB-CG 4.13Å; A70-F182 HydrophobicContact CB-CZ 3.96Å; L73-F182 HydrophobicContact CB-CZ 4.44Å; L73-F182 HydrophobicContact CD1-CZ 3.78Å; I74-F182 HydrophobicContact CD1-CD2 4.45Å; F182-H185 WeakPolarHBondContact O-CB 3.37Å; F182-H185 PolarHBondContact O-N 3.03Å; F182-L186 HydrophobicContact CD1-CD1 3.92Å; F182-L186 HydrophobicContact CD1-CD2 4.38Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 4.12Å; F182-L186 HydrophobicContact CE1-CD2 3.89Å; F182-L186 HydrophobicContact CE1-CG 3.96Å; F182-L186 VanDerWaalsContact O-CG 3.31Å; F182-L186 WeakPolarHBondContact O-CG 3.46Å; F182-L186 PolarHBondContact O-N 3.01Å; F182-W193 HydrophobicContact CD2-CB 4.2Å; F182-W193 AromaticContact CD2-CD1 3.96Å; F182-W193 HydrophobicContact CD2-CD2 4.33Å; F182-W193 AromaticContact CD2-CG 3.9Å; F182-W193 HydrophobicContact CD2-CG 3.9Å; F182-W193 AromaticContact CE2-CD1 3.86Å; F182-W193 HydrophobicContact CE2-CD2 4.36Å; F182-W193 HydrophobicContact CE2-CG 4.16Å; F182-W193 AromaticContact CE2-NE1 3.87Å
183D96.1Very high97.1Very high38 Ų3861.7 Ų61.720%0.20332%0.315CS..Hα-helixtrans-58.5-48.2170.2-83.9-35.2000111.1L56 F57 H58 D181 H185 L186 D187L56-D183 PolarHBondContact O-N 3.15Å; L56-D183 VanDerWaalsContact O-N 3.11Å; F57-D183 WeakPolarHBondContact CA-OD2 3.36Å; F57-D183 WeakPolarHBondContact CB-OD2 3.33Å; F57-D183 VanDerWaalsContact CD1-OD1 3.31Å; F57-D183 WeakPolarHBondContact CD1-OD1 3.46Å; H58-D183 VanDerWaalsContact CE1-CB 3.49Å; H58-D183 WeakPolarHBondContact CE1-CB 3.5Å; H58-D183 IonicContact CE1-OD2 3.82Å; H58-D183 IonicContact CG-OD2 2.78Å; H58-D183 PolarHBondContact N-OD2 2.91Å; H58-D183 IonicContact ND1-OD2 2.97Å; D181-D183 PolarHBondContact OD1-N 3.15Å; D183-H185 VanDerWaalsContact C-N 3.26Å; D183-H185 PolarHBondContact O-N 2.97Å; D183-L186 PolarHBondContact O-N 3.26Å; D183-L186 VanDerWaalsContact O-N 3.12Å; D183-D187 PolarHBondContact O-N 2.91Å
184N96.8Very high97.1Very high24 Ų2460 Ų6013%0.12829%0.293CS..Hα-helixtrans-62.9-32.6177-58.6158.2000112.5K21 Y22 I180 D181 D188 N191K21-N184 PolarHBondContact NZ-OD1 3.4Å; Y22-N184 PolarHBondContact OH-ND2 3.35Å; Y22-N184 PolarHBondContact OH-OD1 2.59Å; I180-N184 HydrophobicContact CG2-CB 4.16Å; D181-N184 PolarHBondContact O-N 2.94Å; D181-N184 WeakPolarHBondContact OD1-CB 3.36Å; D181-N184 PolarHBondContact OD1-N 3.23Å; D181-N184 PolarHBondContact OD1-ND2 3Å; D181-N184 PolarHBondContact OD1-OD1 2.82Å; N184-D188 PolarHBondContact O-N 3.3Å; N184-D188 VanDerWaalsContact O-N 3.11Å; N184-N191 PolarHBondContact O-ND2 3.4Å
185H96.8Very high97.1Very high28 Ų2853.7 Ų53.713%0.1327%0.27CS..Hα-helixtrans-69.5-40.2173.417773.6000112.3D181 F182 D183 D187 D188 L189 N191 W193D181-H185 PolarHBondContact O-N 3.35Å; D181-H185 VanDerWaalsContact O-N 3.11Å; F182-H185 WeakPolarHBondContact O-CB 3.37Å; F182-H185 PolarHBondContact O-N 3.03Å; D183-H185 VanDerWaalsContact C-N 3.26Å; D183-H185 PolarHBondContact O-N 2.97Å; H185-D187 VanDerWaalsContact C-N 3.29Å; H185-D187 PolarHBondContact O-N 3.13Å; H185-D188 CarbonylContact O-C 3.5Å; H185-D188 PolarHBondContact O-N 3.36Å; H185-L189 WeakPolarHBondContact O-CA 3.41Å; H185-L189 PolarHBondContact O-N 3.33Å; H185-N191 PolarHBondContact ND1-O 3.44Å; H185-W193 HydrophobicContact CB-CB 4.38Å; H185-W193 AromaticContact CD2-CD1 3.65Å; H185-W193 AromaticContact CE1-CD1 3.87Å; H185-W193 AromaticContact CG-CD1 3.53Å; H185-W193 AromaticContact ND1-CD1 3.68Å; H185-W193 AromaticContact NE2-CD1 3.85Å; H185-W193 AromaticContact NE2-NE1 3.95Å
186L93.6Very high97.1Very high63 Ų6354.7 Ų54.733%0.3328%0.276SS..Hα-helixtrans-66.3-33.5177-69.7176.3000111.9F57 M66 F182 D183F57-L186 HydrophobicContact CE1-CD1 4.42Å; M66-L186 HydrophobicContact SD-CD1 4.05Å; F182-L186 HydrophobicContact CD1-CD1 3.92Å; F182-L186 HydrophobicContact CD1-CD2 4.38Å; F182-L186 HydrophobicContact CD1-CG 3.93Å; F182-L186 HydrophobicContact CE1-CD1 4.12Å; F182-L186 HydrophobicContact CE1-CD2 3.89Å; F182-L186 HydrophobicContact CE1-CG 3.96Å; F182-L186 VanDerWaalsContact O-CG 3.31Å; F182-L186 WeakPolarHBondContact O-CG 3.46Å; F182-L186 PolarHBondContact O-N 3.01Å; D183-L186 PolarHBondContact O-N 3.26Å; D183-L186 VanDerWaalsContact O-N 3.12Å
187D94.8Very high97Very high141 Ų14158.1 Ų58.175%0.75429%0.293SS*.Hα-helixtrans-70-38.9173.3-73.7-24.6000112.6D183 H185D183-D187 PolarHBondContact O-N 2.91Å; H185-D187 VanDerWaalsContact C-N 3.29Å; H185-D187 PolarHBondContact O-N 3.13Å
188D97.1Very high97Very high44 Ų4453.3 Ų53.324%0.23527%0.271CS..  trans-145.6107.8176.4-178.7-1.9000111.4N184 H185 R190 N191N184-D188 PolarHBondContact O-N 3.3Å; N184-D188 VanDerWaalsContact O-N 3.11Å; H185-D188 CarbonylContact O-C 3.5Å; H185-D188 PolarHBondContact O-N 3.36Å; D188-R190 PolarHBondContact O-N 3.47Å; D188-R190 VanDerWaalsContact OD1-CB 3.3Å; D188-R190 WeakPolarHBondContact OD1-CB 3.38Å; D188-R190 WeakPolarHBondContact OD1-CG 3.37Å; D188-R190 IonicContact OD1-CZ 3.77Å; D188-R190 PolarHBondContact OD1-N 3Å; D188-R190 IonicContact OD1-NE 3.93Å; D188-R190 PolarHBondContact OD1-NE 2.92Å; D188-R190 IonicContact OD1-NH2 3.53Å; D188-R190 IonicContact OD2-CZ 4Å; D188-R190 VanDerWaalsContact OD2-CZ 3.26Å; D188-R190 IonicContact OD2-NE 3.48Å; D188-R190 PolarHBondContact OD2-NE 3.09Å; D188-R190 VanDerWaalsContact OD2-NE 3.08Å; D188-R190 IonicContact OD2-NH2 3.22Å; D188-R190 PolarHBondContact OD2-NH2 2.61Å; D188-N191 VanDerWaalsContact O-CB 3.31Å; D188-N191 WeakPolarHBondContact O-CB 3.26Å; D188-N191 PolarHBondContact O-N 3.34Å; D188-N191 PolarHBondContact O-ND2 3.14Å
189L95.7Very high97Very high130 Ų13051.2 Ų51.268%0.68125%0.254SS*.THydrogen-bonded Turntrans-61.7-11.9-176.4-61.4176.9000114.2H185 N191H185-L189 WeakPolarHBondContact O-CA 3.41Å; H185-L189 PolarHBondContact O-N 3.33Å; L189-N191 VanDerWaalsContact C-N 3.27Å
190R97.1Very high97Very high206 Ų20657 Ų5778%0.77728%0.279SS*.THydrogen-bonded Turntrans-74.2-20.3173.5-61.1174.1-66.5179.62.9112.4D188D188-R190 PolarHBondContact O-N 3.47Å; D188-R190 VanDerWaalsContact OD1-CB 3.3Å; D188-R190 WeakPolarHBondContact OD1-CB 3.38Å; D188-R190 WeakPolarHBondContact OD1-CG 3.37Å; D188-R190 IonicContact OD1-CZ 3.77Å; D188-R190 PolarHBondContact OD1-N 3Å; D188-R190 IonicContact OD1-NE 3.93Å; D188-R190 PolarHBondContact OD1-NE 2.92Å; D188-R190 IonicContact OD1-NH2 3.53Å; D188-R190 IonicContact OD2-CZ 4Å; D188-R190 VanDerWaalsContact OD2-CZ 3.26Å; D188-R190 IonicContact OD2-NE 3.48Å; D188-R190 PolarHBondContact OD2-NE 3.09Å; D188-R190 VanDerWaalsContact OD2-NE 3.08Å; D188-R190 IonicContact OD2-NH2 3.22Å; D188-R190 PolarHBondContact OD2-NH2 2.61Å
191N98Very high96.8Very high50 Ų5057.9 Ų57.927%0.26729%0.288SS..SBendtrans-75.2123.3178.4-66.6-33.6000109.9I180 N184 H185 D188 L189 W193I180-N191 HydrophobicContact CD1-CB 4.14Å; I180-N191 HydrophobicContact CG1-CB 4.19Å; I180-N191 HydrophobicContact CG2-CB 3.6Å; N184-N191 PolarHBondContact O-ND2 3.4Å; H185-N191 PolarHBondContact ND1-O 3.44Å; D188-N191 VanDerWaalsContact O-CB 3.31Å; D188-N191 WeakPolarHBondContact O-CB 3.26Å; D188-N191 PolarHBondContact O-N 3.34Å; D188-N191 PolarHBondContact O-ND2 3.14Å; L189-N191 VanDerWaalsContact C-N 3.27Å; N191-W193 PolarHBondContact O-N 2.99Å
192D97.8Very high96.7Very high70 Ų7058.2 Ų58.237%0.37429%0.29SS..  trans-90.4105.9-177.6-173.9-9.7000111.4T194 N195 P196D192-T194 PolarHBondContact O-N 2.73Å; D192-T194 VanDerWaalsContact OD1-CB 3.29Å; D192-T194 WeakPolarHBondContact OD1-CB 3.46Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.19Å; D192-T194 PolarHBondContact OD1-N 3.29Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å; D192-T194 PolarHBondContact OD2-OG1 3.16Å; D192-N195 PolarHBondContact O-N 3.14Å; D192-N195 VanDerWaalsContact O-N 3.08Å; D192-P196 WeakPolarHBondContact OD2-CD 3.37Å; D192-P196 WeakPolarHBondContact OD2-CG 3.49Å
193W97.6Very high96.6Very high25 Ų2564.5 Ų64.510%0.09532%0.323CS..THydrogen-bonded Turntrans-66.1-12.6178.655.1-98.9000113.7I54 I74 W77 F182 H185 N191 N195I54-W193 HydrophobicContact CD1-CE3 4.17Å; I54-W193 HydrophobicContact CD1-CH2 4.5Å; I54-W193 HydrophobicContact CD1-CZ3 3.55Å; I54-W193 HydrophobicContact CG1-CE3 4.21Å; I54-W193 HydrophobicContact CG1-CZ3 4.04Å; I54-W193 HydrophobicContact CG2-CE3 3.61Å; I54-W193 HydrophobicContact CG2-CZ3 4.11Å; I74-W193 HydrophobicContact CG1-CE3 4.41Å; I74-W193 HydrophobicContact CG1-CH2 3.9Å; I74-W193 HydrophobicContact CG1-CZ2 4.32Å; I74-W193 HydrophobicContact CG1-CZ3 3.97Å; W77-W193 HydrophobicContact CB-CH2 3.72Å; W77-W193 HydrophobicContact CB-CZ2 4.23Å; W77-W193 AromaticContact CD2-CH2 3.72Å; W77-W193 HydrophobicContact CD2-CH2 3.72Å; W77-W193 HydrophobicContact CD2-CZ3 4.15Å; W77-W193 HydrophobicContact CE3-CH2 4.08Å; W77-W193 HydrophobicContact CE3-CZ3 4.23Å; W77-W193 AromaticContact CG-CH2 3.55Å; W77-W193 HydrophobicContact CG-CH2 3.55Å; W77-W193 HydrophobicContact CG-CZ2 4.26Å; W77-W193 HydrophobicContact CG-CZ3 4.43Å; F182-W193 HydrophobicContact CD2-CB 4.2Å; F182-W193 AromaticContact CD2-CD1 3.96Å; F182-W193 HydrophobicContact CD2-CD2 4.33Å; F182-W193 AromaticContact CD2-CG 3.9Å; F182-W193 HydrophobicContact CD2-CG 3.9Å; F182-W193 AromaticContact CE2-CD1 3.86Å; F182-W193 HydrophobicContact CE2-CD2 4.36Å; F182-W193 HydrophobicContact CE2-CG 4.16Å; F182-W193 AromaticContact CE2-NE1 3.87Å; H185-W193 HydrophobicContact CB-CB 4.38Å; H185-W193 AromaticContact CD2-CD1 3.65Å; H185-W193 AromaticContact CE1-CD1 3.87Å; H185-W193 AromaticContact CG-CD1 3.53Å; H185-W193 AromaticContact ND1-CD1 3.68Å; H185-W193 AromaticContact NE2-CD1 3.85Å; H185-W193 AromaticContact NE2-NE1 3.95Å; N191-W193 PolarHBondContact O-N 2.99Å; W193-N195 PolarHBondContact O-N 2.82Å; W193-N195 PolarHBondContact O-ND2 3.49Å
194T97.4Very high96.5Very high21 Ų2170.4 Ų70.413%0.12935%0.349CS..THydrogen-bonded Turntrans-75.4-13.7172.872.90000112.6K14 W77 D192K14-T194 PolarHBondContact NZ-O 3.31Å; W77-T194 HydrophobicContact CZ2-CG2 3.94Å; D192-T194 PolarHBondContact O-N 2.73Å; D192-T194 VanDerWaalsContact OD1-CB 3.29Å; D192-T194 WeakPolarHBondContact OD1-CB 3.46Å; D192-T194 WeakPolarHBondContact OD1-CG2 3.19Å; D192-T194 PolarHBondContact OD1-N 3.29Å; D192-T194 PolarHBondContact OD1-OG1 2.92Å; D192-T194 PolarHBondContact OD2-OG1 3.16Å
195N98.3Very high96.2Very high6 Ų672.3 Ų72.33%0.03236%0.359CS..  trans54.255.8176.4-69.9-87000114.4K14 L179 I180 D192 W193 E197 I198 N199K14-N195 HydrophobicContact CD-CB 4.47Å; L179-N195 WeakPolarHBondContact CA-OD1 3.28Å; I180-N195 PolarHBondContact N-OD1 2.72Å; I180-N195 PolarHBondContact O-ND2 3.06Å; D192-N195 PolarHBondContact O-N 3.14Å; D192-N195 VanDerWaalsContact O-N 3.08Å; W193-N195 PolarHBondContact O-N 2.82Å; W193-N195 PolarHBondContact O-ND2 3.49Å; N195-E197 VanDerWaalsContact C-N 3.31Å; N195-E197 PolarHBondContact O-N 2.97Å; N195-I198 HydrophobicContact CB-CB 4.26Å; N195-I198 HydrophobicContact CB-CD1 4.33Å; N195-I198 PolarHBondContact O-N 2.94Å; N195-N199 PolarHBondContact O-N 2.99Å; N195-N199 VanDerWaalsContact O-N 3.12Å; N195-N199 PolarHBondContact O-OD1 3.3Å
196P97.3Very high95.4Very high44 Ų4475.8 Ų75.829%0.28639%0.385SS..Hα-helixtrans-63.9-32.7-175.326.6-35.4000113.4D192 N199 K200D192-P196 WeakPolarHBondContact OD2-CD 3.37Å; D192-P196 WeakPolarHBondContact OD2-CG 3.49Å; P196-N199 WeakPolarHBondContact O-CB 3.3Å; P196-N199 PolarHBondContact O-N 3.24Å; P196-K200 WeakPolarHBondContact O-CG 3.36Å; P196-K200 PolarHBondContact O-N 2.91Å
197E96.9Very high95.5Very high117 Ų11776.4 Ų76.455%0.54739%0.387SS..Hα-helixtrans-69-38.5178.2-61.4-50.7126.100112N195 N199 K200 S201N195-E197 VanDerWaalsContact C-N 3.31Å; N195-E197 PolarHBondContact O-N 2.97Å; E197-N199 VanDerWaalsContact C-N 3.34Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.33Å; E197-K200 IonicContact OE1-NZ 3.3Å; E197-K200 PolarHBondContact OE1-NZ 3.23Å; E197-K200 IonicContact OE2-NZ 3.26Å; E197-S201 PolarHBondContact O-N 3.1Å; E197-S201 PolarHBondContact O-OG 3.46Å
198I97.3Very high95.5Very high5 Ų573 Ų733%0.02637%0.368CS..Hα-helixtrans-65.8-40.2173.6-67.6174.9000110.4K14 L17 L179 N195 K200 S201 V202K14-I198 HydrophobicContact CG-CG2 4.22Å; L17-I198 HydrophobicContact CD1-CD1 4.33Å; L17-I198 HydrophobicContact CD1-CG2 3.96Å; L179-I198 HydrophobicContact CB-CD1 3.6Å; L179-I198 HydrophobicContact CD1-CD1 3.47Å; L179-I198 VanDerWaalsContact CD1-CD1 3.47Å; L179-I198 HydrophobicContact CG-CD1 4.03Å; N195-I198 HydrophobicContact CB-CB 4.26Å; N195-I198 HydrophobicContact CB-CD1 4.33Å; N195-I198 PolarHBondContact O-N 2.94Å; I198-K200 VanDerWaalsContact C-N 3.3Å; I198-K200 PolarHBondContact O-N 3.46Å; I198-S201 PolarHBondContact O-N 3.4Å; I198-S201 VanDerWaalsContact O-N 3.15Å; I198-V202 WeakPolarHBondContact O-CG2 3.26Å; I198-V202 PolarHBondContact O-N 3.26Å
199N96.8Very high95.4Very high34 Ų3474.6 Ų74.618%0.18238%0.376CS..Hα-helixtrans-58.5-42.7174.7-65.5-11.7000111.6Q10 K14 N195 P196 E197 V202 L203Q10-N199 WeakPolarHBondContact CG-OD1 3.35Å; Q10-N199 PolarHBondContact NE2-OD1 3Å; Q10-N199 PolarHBondContact OE1-OD1 3.41Å; K14-N199 WeakPolarHBondContact CE-OD1 3.4Å; K14-N199 PolarHBondContact NZ-ND2 2.94Å; K14-N199 PolarHBondContact NZ-OD1 3.45Å; N195-N199 PolarHBondContact O-N 2.99Å; N195-N199 VanDerWaalsContact O-N 3.12Å; N195-N199 PolarHBondContact O-OD1 3.3Å; P196-N199 WeakPolarHBondContact O-CB 3.3Å; P196-N199 PolarHBondContact O-N 3.24Å; E197-N199 VanDerWaalsContact C-N 3.34Å; N199-V202 PolarHBondContact O-N 2.99Å; N199-L203 PolarHBondContact O-N 3.23Å
200K96.9Very high95.4Very high120 Ų12071.4 Ų71.452%0.52236%0.358SS..Hα-helixtrans-63.7-41.5175.2-70.1169.7-172.7169.10111.8P196 E197 I198 L203 H204P196-K200 WeakPolarHBondContact O-CG 3.36Å; P196-K200 PolarHBondContact O-N 2.91Å; E197-K200 WeakPolarHBondContact O-CB 3.47Å; E197-K200 PolarHBondContact O-N 3.33Å; E197-K200 IonicContact OE1-NZ 3.3Å; E197-K200 PolarHBondContact OE1-NZ 3.23Å; E197-K200 IonicContact OE2-NZ 3.26Å; I198-K200 VanDerWaalsContact C-N 3.3Å; I198-K200 PolarHBondContact O-N 3.46Å; K200-L203 PolarHBondContact O-N 2.95Å; K200-H204 WeakPolarHBondContact O-CB 3.4Å; K200-H204 PolarHBondContact O-N 3.28Å
201S96.1Very high95.3Very high49 Ų4962.9 Ų62.934%0.34333%0.331SS..Hα-helixtrans-63.2-41.1176.6-60.30000112.2E197 I198 H204 L205E197-S201 PolarHBondContact O-N 3.1Å; E197-S201 PolarHBondContact O-OG 3.46Å; I198-S201 PolarHBondContact O-N 3.4Å; I198-S201 VanDerWaalsContact O-N 3.15Å; S201-H204 PolarHBondContact O-N 3.11Å; S201-L205 WeakPolarHBondContact O-CG 3.28Å; S201-L205 PolarHBondContact O-N 2.95Å
202V95.6Very high95.1Very high7 Ų763.8 Ų63.84%0.04234%0.336CS..Hα-helixtrans-58.9-53.1172.9170.80000109.9T9 Q10 C13 I166 L170 I198 N199 H204 L205 C206T9-V202 HydrophobicContact CG2-CG1 4.08Å; Q10-V202 HydrophobicContact CB-CG1 4.37Å; C13-V202 HydrophobicContact CB-CG2 4.21Å; I166-V202 HydrophobicContact CG2-CB 4.5Å; I166-V202 HydrophobicContact CG2-CG1 4.35Å; I166-V202 HydrophobicContact CG2-CG2 4.3Å; L170-V202 HydrophobicContact CD1-CG2 3.7Å; I198-V202 WeakPolarHBondContact O-CG2 3.26Å; I198-V202 PolarHBondContact O-N 3.26Å; N199-V202 PolarHBondContact O-N 2.99Å; V202-H204 VanDerWaalsContact C-N 3.25Å; V202-H204 PolarHBondContact O-N 3.09Å; V202-L205 PolarHBondContact O-N 3.19Å; V202-C206 PolarHBondContact O-N 3.48Å; V202-C206 VanDerWaalsContact O-N 3.14Å; V202-C206 PolarHBondContact O-SG 3.38Å; V202-C206 VanDerWaalsContact O-SG 3.36Å
203L94.3Very high94.9Very high133 Ų13363.4 Ų63.470%0.69633%0.333SS*.Hα-helixtrans-60-32.9-179.1-177.165000113.4N199 K200 L205N199-L203 PolarHBondContact O-N 3.23Å; K200-L203 PolarHBondContact O-N 2.95Å; L203-L205 VanDerWaalsContact C-N 3.3Å
204H93.8Very high94.7Very high162 Ų16266.3 Ų66.375%0.7535%0.351SS*.Hα-helixtrans-72.1-23.5177.2-175.562.5000113.4K200 S201 V202K200-H204 WeakPolarHBondContact O-CB 3.4Å; K200-H204 PolarHBondContact O-N 3.28Å; S201-H204 PolarHBondContact O-N 3.11Å; V202-H204 VanDerWaalsContact C-N 3.25Å; V202-H204 PolarHBondContact O-N 3.09Å
205L90.2Very high94.5Very high64 Ų6470.1 Ų70.134%0.33537%0.37SS..Hα-helixtrans-97.4-13.6-177.6-67.9171.2000113.7I166 A169 L170 S201 V202 L203I166-L205 HydrophobicContact CD1-CB 4.05Å; I166-L205 HydrophobicContact CG1-CB 3.94Å; I166-L205 HydrophobicContact CG2-CB 4.11Å; I166-L205 HydrophobicContact CG2-CD1 4.15Å; A169-L205 HydrophobicContact CB-CD1 4.26Å; L170-L205 HydrophobicContact CD2-CD1 3.85Å; L170-L205 HydrophobicContact CG-CD1 4.12Å; S201-L205 WeakPolarHBondContact O-CG 3.28Å; S201-L205 PolarHBondContact O-N 2.95Å; V202-L205 PolarHBondContact O-N 3.19Å; L203-L205 VanDerWaalsContact C-N 3.3Å
206C80.3Confident94.1Very high100 Ų10075.9 Ų75.968%0.67640%0.4SS*.  trans-66.60167.1-660000110.3E162 I166 V202E162-C206 PolarHBondContact OE1-SG 3.44Å; E162-C206 VanDerWaalsContact OE1-SG 3.34Å; I166-C206 HydrophobicContact CD1-CB 4.2Å; I166-C206 WeakPolarHBondContact CD1-SG 3.36Å; V202-C206 PolarHBondContact O-N 3.48Å; V202-C206 VanDerWaalsContact O-N 3.14Å; V202-C206 PolarHBondContact O-SG 3.38Å; V202-C206 VanDerWaalsContact O-SG 3.36Å

Retrieved 206 of 206 residues in 126.1 ms (Link to these results)

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