A0A087WRR3_MOUSE Loading...

RIKEN cDNA 2010315B03 gene

May be involved in transcriptional regulation.

AlphaFold DB , UniProt , Accession A0A087WRR3, Species MOUSE (Mus musculus, Mouse), Gene 2010315B03Rik, Length 151 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
1M50.2Low58.7Low141 Ų14182.7 Ų82.770%0.69545%0.454SS*.  0115.90-158.2160.872.600107.4D5 V6 L37M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 HydrophobicContact CG-CB 4.03Å; M1-V6 HydrophobicContact CE-CG1 4.26Å; M1-V6 HydrophobicContact CG-CG1 3.97Å; M1-V6 HydrophobicContact SD-CG1 3.9Å; M1-L37 HydrophobicContact CE-CD2 4.4Å
2T52.8Low57.6Low81 Ų8192.3 Ų92.350%0.49748%0.479SS..  trans-104.8165.1-178.769.80000109.6A4 D5T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 PolarHBondContact OG1-N 3.06Å; T2-D5 PolarHBondContact N-OD2 3.32Å; T2-D5 WeakPolarHBondContact O-CB 3.48Å; T2-D5 PolarHBondContact O-N 3.39Å; T2-D5 VanDerWaalsContact OG1-CG 3.25Å; T2-D5 PolarHBondContact OG1-N 2.78Å; T2-D5 PolarHBondContact OG1-OD1 3.48Å; T2-D5 PolarHBondContact OG1-OD2 3.4Å
3Y54.3Low58Low95 Ų9594.4 Ų94.437%0.37349%0.485SS..Hα-helixtrans-54.5-37.3173-179.3-103.4000111.4D5 V6 H7Y3-D5 PolarHBondContact O-N 3.19Å; Y3-V6 PolarHBondContact O-N 3.31Å; Y3-H7 HydrophobicContact CD1-CB 3.79Å; Y3-H7 AromaticContact CD1-CG 3.99Å; Y3-H7 HydrophobicContact CD2-CB 4.31Å; Y3-H7 HydrophobicContact CE1-CB 3.68Å; Y3-H7 AromaticContact CE1-CD2 3.29Å; Y3-H7 WeakPolarHBondContact CE1-CD2 3.46Å; Y3-H7 AromaticContact CE1-CG 3.36Å; Y3-H7 AromaticContact CE1-ND1 3.87Å; Y3-H7 AromaticContact CE1-NE2 3.78Å; Y3-H7 HydrophobicContact CE2-CB 4.22Å; Y3-H7 AromaticContact CE2-CD2 3.75Å; Y3-H7 HydrophobicContact CG-CB 4.14Å; Y3-H7 AromaticContact CZ-CD2 3Å; Y3-H7 AromaticContact CZ-CG 3.55Å; Y3-H7 AromaticContact CZ-NE2 3.61Å; Y3-H7 WeakPolarHBondContact O-CA 3.45Å; Y3-H7 WeakPolarHBondContact O-CB 3.43Å; Y3-H7 PolarHBondContact O-N 2.8Å; Y3-H7 PolarHBondContact OH-CD2 3.36Å; Y3-H7 PolarHBondContact OH-NE2 3.02Å
4A55.1Low58.4Low68 Ų6894.3 Ų94.356%0.56248%0.481SS*.Hα-helixtrans-64.7-20.9176.100000114T2T2-A4 PolarHBondContact O-N 3.41Å; T2-A4 PolarHBondContact OG1-N 3.06Å
5D56.3Low58.9Low107 Ų10793.4 Ų93.457%0.57247%0.47SS*.Hα-helixtrans-81.9-18.2178.8-58-25000112.6M1 T2 Y3M1-D5 WeakPolarHBondContact CA-OD2 3.46Å; M1-D5 HydrophobicContact CG-CB 4.03Å; T2-D5 PolarHBondContact N-OD2 3.32Å; T2-D5 WeakPolarHBondContact O-CB 3.48Å; T2-D5 PolarHBondContact O-N 3.39Å; T2-D5 VanDerWaalsContact OG1-CG 3.25Å; T2-D5 PolarHBondContact OG1-N 2.78Å; T2-D5 PolarHBondContact OG1-OD1 3.48Å; T2-D5 PolarHBondContact OG1-OD2 3.4Å; Y3-D5 PolarHBondContact O-N 3.19Å
6V55.6Low59.6Low45 Ų4591.3 Ų91.327%0.27347%0.471SS..Hα-helixtrans-125.9-5.1-176.3-610000113.3M1 Y3 T33 L37M1-V6 HydrophobicContact CE-CG1 4.26Å; M1-V6 HydrophobicContact CG-CG1 3.97Å; M1-V6 HydrophobicContact SD-CG1 3.9Å; Y3-V6 PolarHBondContact O-N 3.31Å; V6-T33 HydrophobicContact CB-CG2 3.87Å; V6-T33 HydrophobicContact CG2-CG2 3.56Å; V6-L37 HydrophobicContact CG2-CD1 3.88Å
7H60.7Low60.6Low23 Ų2394.6 Ų94.611%0.10649%0.489CS..  trans-99.6124.2178.6-178-87.7000111.5Y3 N9 Y26 M30Y3-H7 HydrophobicContact CD1-CB 3.79Å; Y3-H7 AromaticContact CD1-CG 3.99Å; Y3-H7 HydrophobicContact CD2-CB 4.31Å; Y3-H7 HydrophobicContact CE1-CB 3.68Å; Y3-H7 AromaticContact CE1-CD2 3.29Å; Y3-H7 WeakPolarHBondContact CE1-CD2 3.46Å; Y3-H7 AromaticContact CE1-CG 3.36Å; Y3-H7 AromaticContact CE1-ND1 3.87Å; Y3-H7 AromaticContact CE1-NE2 3.78Å; Y3-H7 HydrophobicContact CE2-CB 4.22Å; Y3-H7 AromaticContact CE2-CD2 3.75Å; Y3-H7 HydrophobicContact CG-CB 4.14Å; Y3-H7 AromaticContact CZ-CD2 3Å; Y3-H7 AromaticContact CZ-CG 3.55Å; Y3-H7 AromaticContact CZ-NE2 3.61Å; Y3-H7 WeakPolarHBondContact O-CA 3.45Å; Y3-H7 WeakPolarHBondContact O-CB 3.43Å; Y3-H7 PolarHBondContact O-N 2.8Å; Y3-H7 PolarHBondContact OH-CD2 3.36Å; Y3-H7 PolarHBondContact OH-NE2 3.02Å; H7-N9 PolarHBondContact CE1-OD1 3Å; H7-N9 VanDerWaalsContact ND1-CG 3.31Å; H7-N9 PolarHBondContact ND1-N 3.4Å; H7-N9 PolarHBondContact ND1-OD1 3.39Å; H7-N9 PolarHBondContact O-N 2.84Å; H7-Y26 PolarHBondContact CE1-OH 2.96Å; H7-Y26 PolarHBondContact NE2-OH 3.11Å; H7-M30 HydrophobicContact CB-CE 3.86Å; H7-M30 WeakPolarHBondContact CD2-CE 3.16Å
8V65.4Low61.2Low87 Ų8790.8 Ų90.853%0.52747%0.469SS..  trans-81.8100.4170.9179.60000108.1F10 Y26V8-F10 HydrophobicContact CG1-CE2 4.05Å; V8-F10 HydrophobicContact CG1-CZ 4.21Å; V8-Y26 HydrophobicContact CB-CE2 4.26Å; V8-Y26 WeakPolarHBondContact O-CE2 3.39Å; V8-Y26 PolarHBondContact O-OH 3.29Å
9N61.6Low61.7Low115 Ų11589.9 Ų89.962%0.61547%0.466SS*.PPolyproline II helixtrans-74.2129.7174.6-77-49.5000110.4H7H7-N9 PolarHBondContact CE1-OD1 3Å; H7-N9 VanDerWaalsContact ND1-CG 3.31Å; H7-N9 PolarHBondContact ND1-N 3.4Å; H7-N9 PolarHBondContact ND1-OD1 3.39Å; H7-N9 PolarHBondContact O-N 2.84Å
10F62.9Low61.5Low74 Ų7491 Ų9133%0.32548%0.478SS..PPolyproline II helixtrans-101.3135163.2-71.2-79.5000109V8 E14 W15 L18 Y26V8-F10 HydrophobicContact CG1-CE2 4.05Å; V8-F10 HydrophobicContact CG1-CZ 4.21Å; F10-E14 HydrophobicContact CB-CB 4.36Å; F10-E14 HydrophobicContact CD1-CB 3.83Å; F10-W15 HydrophobicContact CB-CB 4.29Å; F10-W15 HydrophobicContact CB-CE3 4.22Å; F10-W15 HydrophobicContact CD2-CE3 4.1Å; F10-W15 HydrophobicContact CD2-CZ3 4.31Å; F10-W15 HydrophobicContact CG-CE3 4.3Å; F10-L18 HydrophobicContact CD1-CD1 4.3Å; F10-L18 HydrophobicContact CD2-CD1 4.26Å; F10-L18 HydrophobicContact CE1-CD1 4.08Å; F10-L18 HydrophobicContact CE1-CD2 4.25Å; F10-L18 HydrophobicContact CE2-CD1 4.04Å; F10-L18 HydrophobicContact CG-CD1 4.38Å; F10-L18 HydrophobicContact CZ-CD1 3.94Å; F10-L18 HydrophobicContact CZ-CD2 4.45Å; F10-Y26 AromaticContact CD2-CD2 3.95Å; F10-Y26 HydrophobicContact CD2-CD2 3.95Å; F10-Y26 AromaticContact CD2-CE2 3.6Å; F10-Y26 HydrophobicContact CD2-CE2 3.6Å; F10-Y26 HydrophobicContact CD2-CG 4.47Å; F10-Y26 AromaticContact CD2-CZ 3.88Å; F10-Y26 AromaticContact CE2-CD2 3.4Å; F10-Y26 HydrophobicContact CE2-CD2 3.4Å; F10-Y26 VanDerWaalsContact CE2-CD2 3.4Å; F10-Y26 AromaticContact CE2-CE2 3.46Å; F10-Y26 HydrophobicContact CE2-CE2 3.46Å; F10-Y26 VanDerWaalsContact CE2-CE2 3.46Å; F10-Y26 HydrophobicContact CE2-CG 4.07Å
11T70.8Confident61Low74 Ų7491 Ų9145%0.45449%0.486SS..PPolyproline II helixtrans-64.9162.5161.7630000110E13 E14 W15T11-E13 PolarHBondContact O-N 3.02Å; T11-E14 WeakPolarHBondContact CB-OE2 3.46Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.29Å; T11-E14 PolarHBondContact N-OE2 3.03Å; T11-E14 PolarHBondContact O-N 3.06Å; T11-E14 WeakPolarHBondContact OG1-CG 3.44Å; T11-E14 PolarHBondContact OG1-N 2.86Å; T11-E14 PolarHBondContact OG1-OE2 3.16Å; T11-W15 WeakPolarHBondContact O-CB 3.19Å; T11-W15 PolarHBondContact O-N 3.03Å
12W45.6Very low61.5Low198 Ų19888.5 Ų88.575%0.7547%0.472SS*.Hα-helixtrans-58.8-35.1179.788.4-93.7000112A16W12-A16 PolarHBondContact O-N 2.97Å
13E63.3Low62.1Low119 Ų11987.2 Ų87.256%0.55646%0.46SS*.Hα-helixtrans-69.4-45.7179.3-61.8176.8-178.200111T11 W15 A16 L17T11-E13 PolarHBondContact O-N 3.02Å; E13-W15 VanDerWaalsContact C-N 3.33Å; E13-W15 PolarHBondContact O-N 3.47Å; E13-A16 WeakPolarHBondContact O-CB 3.46Å; E13-A16 PolarHBondContact O-N 2.75Å; E13-L17 WeakPolarHBondContact O-CG 3.31Å; E13-L17 PolarHBondContact O-N 2.79Å
14E63.8Low62.3Low93 Ų9385.4 Ų85.444%0.43546%0.461SS..Hα-helixtrans-66.6-37.1176.9-65.1162.7140.900111.6F10 T11 A16 L17F10-E14 HydrophobicContact CB-CB 4.36Å; F10-E14 HydrophobicContact CD1-CB 3.83Å; T11-E14 WeakPolarHBondContact CB-OE2 3.46Å; T11-E14 WeakPolarHBondContact CG2-OE2 3.29Å; T11-E14 PolarHBondContact N-OE2 3.03Å; T11-E14 PolarHBondContact O-N 3.06Å; T11-E14 WeakPolarHBondContact OG1-CG 3.44Å; T11-E14 PolarHBondContact OG1-N 2.86Å; T11-E14 PolarHBondContact OG1-OE2 3.16Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.91Å; E14-L17 PolarHBondContact O-N 3.43Å
15W65.8Low62.6Low81 Ų8187.4 Ų87.431%0.30746%0.462SS..Hα-helixtrans-64.2-37.6175.1-174.7-101.8000112.3F10 T11 E13 L17 L18 K23 Y26F10-W15 HydrophobicContact CB-CB 4.29Å; F10-W15 HydrophobicContact CB-CE3 4.22Å; F10-W15 HydrophobicContact CD2-CE3 4.1Å; F10-W15 HydrophobicContact CD2-CZ3 4.31Å; F10-W15 HydrophobicContact CG-CE3 4.3Å; T11-W15 WeakPolarHBondContact O-CB 3.19Å; T11-W15 PolarHBondContact O-N 3.03Å; E13-W15 VanDerWaalsContact C-N 3.33Å; E13-W15 PolarHBondContact O-N 3.47Å; W15-L17 PolarHBondContact O-N 3.48Å; W15-L18 HydrophobicContact CE3-CD1 3.79Å; W15-L18 HydrophobicContact CZ3-CD1 4.01Å; W15-L18 PolarHBondContact O-N 3.24Å; W15-K23 HydrophobicContact CH2-CB 4.27Å; W15-K23 HydrophobicContact CH2-CG 4.12Å; W15-K23 HydrophobicContact CZ2-CB 4.29Å; W15-K23 HydrophobicContact CZ2-CD 4.34Å; W15-K23 HydrophobicContact CZ2-CG 3.96Å; W15-K23 WeakPolarHBondContact O-CE 3.44Å; W15-K23 PolarHBondContact O-NZ 3.34Å; W15-Y26 AromaticContact CH2-CD1 3.56Å; W15-Y26 HydrophobicContact CH2-CD1 3.56Å; W15-Y26 AromaticContact CH2-CE1 3.97Å; W15-Y26 HydrophobicContact CH2-CE1 3.97Å; W15-Y26 HydrophobicContact CH2-CG 4.45Å; W15-Y26 AromaticContact CZ3-CD1 3.27Å; W15-Y26 HydrophobicContact CZ3-CD1 3.27Å; W15-Y26 AromaticContact CZ3-CE1 3.52Å; W15-Y26 HydrophobicContact CZ3-CE1 3.52Å; W15-Y26 AromaticContact CZ3-CG 3.94Å; W15-Y26 HydrophobicContact CZ3-CG 3.94Å
16A69.1Low63.1Low59 Ų5984 Ų8449%0.48844%0.441SS..Hα-helixtrans-62.2-33.4177.700000111.9W12 E13 E14W12-A16 PolarHBondContact O-N 2.97Å; E13-A16 WeakPolarHBondContact O-CB 3.46Å; E13-A16 PolarHBondContact O-N 2.75Å; E14-A16 VanDerWaalsContact C-N 3.33Å; E14-A16 PolarHBondContact O-N 2.91Å
17L77.1Confident63.5Low148 Ų14885.8 Ų85.878%0.77545%0.445SS*.Hα-helixtrans-77.2-17.4-178.7-63.7171.7000114.2E13 E14 W15E13-L17 WeakPolarHBondContact O-CG 3.31Å; E13-L17 PolarHBondContact O-N 2.79Å; E14-L17 PolarHBondContact O-N 3.43Å; W15-L17 PolarHBondContact O-N 3.48Å
18L70.5Confident63.5Low27 Ų2788.3 Ų88.314%0.14146%0.457CS..SBendtrans-71.6133.4178.6-61.6179.9000111.5F10 W15 Q22 K23F10-L18 HydrophobicContact CD1-CD1 4.3Å; F10-L18 HydrophobicContact CD2-CD1 4.26Å; F10-L18 HydrophobicContact CE1-CD1 4.08Å; F10-L18 HydrophobicContact CE1-CD2 4.25Å; F10-L18 HydrophobicContact CE2-CD1 4.04Å; F10-L18 HydrophobicContact CG-CD1 4.38Å; F10-L18 HydrophobicContact CZ-CD1 3.94Å; F10-L18 HydrophobicContact CZ-CD2 4.45Å; W15-L18 HydrophobicContact CE3-CD1 3.79Å; W15-L18 HydrophobicContact CZ3-CD1 4.01Å; W15-L18 PolarHBondContact O-N 3.24Å; L18-Q22 HydrophobicContact CB-CB 4.07Å; L18-Q22 HydrophobicContact CD2-CB 4.09Å; L18-K23 HydrophobicContact CB-CD 4.31Å; L18-K23 HydrophobicContact CB-CG 3.66Å; L18-K23 HydrophobicContact CD1-CG 4.31Å; L18-K23 VanDerWaalsContact O-CE 3.26Å; L18-K23 WeakPolarHBondContact O-CE 3.31Å; L18-K23 PolarHBondContact O-NZ 2.92Å
19N71.3Confident63.5Low74 Ų7487.4 Ų87.440%0.39645%0.451SS..  trans-72.2164.3171.872.846.3000111.2S21 Q22 K23N19-S21 PolarHBondContact O-N 3.15Å; N19-S21 WeakPolarHBondContact OD1-CA 3.39Å; N19-S21 WeakPolarHBondContact OD1-CB 3.38Å; N19-S21 PolarHBondContact OD1-N 3.16Å; N19-Q22 VanDerWaalsContact CG-OE1 3.28Å; N19-Q22 PolarHBondContact ND2-OE1 2.73Å; N19-Q22 VanDerWaalsContact ND2-OE1 3.15Å; N19-Q22 PolarHBondContact O-N 3.2Å; N19-Q22 VanDerWaalsContact O-N 3.14Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.35Å; N19-Q22 PolarHBondContact OD1-N 3.35Å; N19-K23 PolarHBondContact O-N 3.33Å
20P57.9Low63.9Low111 Ų11182.3 Ų82.372%0.72142%0.424SS*.Hα-helixtrans-55.1-36.3-177.5-2836.2000114.1S24P20-S24 WeakPolarHBondContact O-CB 3.38Å; P20-S24 PolarHBondContact O-N 3.23Å
21S51.3Low63.9Low91 Ų9179.7 Ų79.764%0.63641%0.413SS*.Hα-helixtrans-70.5-39.8179.1-55.90000112.2N19 S24 L25N19-S21 PolarHBondContact O-N 3.15Å; N19-S21 WeakPolarHBondContact OD1-CA 3.39Å; N19-S21 WeakPolarHBondContact OD1-CB 3.38Å; N19-S21 PolarHBondContact OD1-N 3.16Å; S21-S24 WeakPolarHBondContact O-CB 3.35Å; S21-S24 PolarHBondContact O-N 3.01Å; S21-L25 WeakPolarHBondContact O-CB 3.32Å; S21-L25 PolarHBondContact O-N 2.81Å
22Q61.1Low63.6Low88 Ų8880.6 Ų80.641%0.41141%0.413SS..Hα-helixtrans-66.2-42.3174.6-71.1169.1-41.300111.7L18 N19 S24 L25 Y26L18-Q22 HydrophobicContact CB-CB 4.07Å; L18-Q22 HydrophobicContact CD2-CB 4.09Å; N19-Q22 VanDerWaalsContact CG-OE1 3.28Å; N19-Q22 PolarHBondContact ND2-OE1 2.73Å; N19-Q22 VanDerWaalsContact ND2-OE1 3.15Å; N19-Q22 PolarHBondContact O-N 3.2Å; N19-Q22 VanDerWaalsContact O-N 3.14Å; N19-Q22 WeakPolarHBondContact OD1-CG 3.35Å; N19-Q22 PolarHBondContact OD1-N 3.35Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 3.28Å; Q22-L25 PolarHBondContact O-N 3.08Å; Q22-Y26 WeakPolarHBondContact O-CB 3.22Å; Q22-Y26 PolarHBondContact O-N 3.3Å
23K63.8Low64.6Low54 Ų5472.6 Ų72.624%0.23539%0.385CS..Hα-helixtrans-61.6-38.2173.7-72.8172.3166.1140.90111.7W15 L18 N19 K27W15-K23 HydrophobicContact CH2-CB 4.27Å; W15-K23 HydrophobicContact CH2-CG 4.12Å; W15-K23 HydrophobicContact CZ2-CB 4.29Å; W15-K23 HydrophobicContact CZ2-CD 4.34Å; W15-K23 HydrophobicContact CZ2-CG 3.96Å; W15-K23 WeakPolarHBondContact O-CE 3.44Å; W15-K23 PolarHBondContact O-NZ 3.34Å; L18-K23 HydrophobicContact CB-CD 4.31Å; L18-K23 HydrophobicContact CB-CG 3.66Å; L18-K23 HydrophobicContact CD1-CG 4.31Å; L18-K23 VanDerWaalsContact O-CE 3.26Å; L18-K23 WeakPolarHBondContact O-CE 3.31Å; L18-K23 PolarHBondContact O-NZ 2.92Å; N19-K23 PolarHBondContact O-N 3.33Å; K23-K27 VanDerWaalsContact O-CG 3.25Å; K23-K27 WeakPolarHBondContact O-CG 3.3Å; K23-K27 PolarHBondContact O-N 2.81Å; K23-K27 VanDerWaalsContact O-N 3.13Å
24S58.8Low64.6Low57 Ų5768.9 Ų68.940%0.39937%0.367SS..Hα-helixtrans-66.8-49.3176-162.90000111.4P20 S21 Q22 Y26 K27 E28P20-S24 WeakPolarHBondContact O-CB 3.38Å; P20-S24 PolarHBondContact O-N 3.23Å; S21-S24 WeakPolarHBondContact O-CB 3.35Å; S21-S24 PolarHBondContact O-N 3.01Å; Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 3.28Å; S24-Y26 PolarHBondContact O-N 3.07Å; S24-K27 PolarHBondContact O-N 3.44Å; S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.24Å
25L62.4Low64.5Low110 Ų11066.4 Ų66.458%0.57636%0.355SS*.Hα-helixtrans-60.1-44.7178.7-178.862.8000111.8S21 Q22 K27 E28 V29S21-L25 WeakPolarHBondContact O-CB 3.32Å; S21-L25 PolarHBondContact O-N 2.81Å; Q22-L25 PolarHBondContact O-N 3.08Å; L25-K27 PolarHBondContact O-N 2.82Å; L25-E28 PolarHBondContact O-N 3.34Å; L25-E28 VanDerWaalsContact O-N 3.17Å; L25-V29 HydrophobicContact CD1-CG2 4.18Å; L25-V29 HydrophobicContact CG-CG2 4.45Å; L25-V29 WeakPolarHBondContact O-CG2 3.43Å; L25-V29 PolarHBondContact O-N 2.76Å
26Y66.7Low64.4Low37 Ų3766.7 Ų66.715%0.14536%0.363CS..Hα-helixtrans-57.1-48.4174.8174.1-99.4000111.8H7 V8 F10 W15 Q22 S24 E28 V29 M30H7-Y26 PolarHBondContact CE1-OH 2.96Å; H7-Y26 PolarHBondContact NE2-OH 3.11Å; V8-Y26 HydrophobicContact CB-CE2 4.26Å; V8-Y26 WeakPolarHBondContact O-CE2 3.39Å; V8-Y26 PolarHBondContact O-OH 3.29Å; F10-Y26 AromaticContact CD2-CD2 3.95Å; F10-Y26 HydrophobicContact CD2-CD2 3.95Å; F10-Y26 AromaticContact CD2-CE2 3.6Å; F10-Y26 HydrophobicContact CD2-CE2 3.6Å; F10-Y26 HydrophobicContact CD2-CG 4.47Å; F10-Y26 AromaticContact CD2-CZ 3.88Å; F10-Y26 AromaticContact CE2-CD2 3.4Å; F10-Y26 HydrophobicContact CE2-CD2 3.4Å; F10-Y26 VanDerWaalsContact CE2-CD2 3.4Å; F10-Y26 AromaticContact CE2-CE2 3.46Å; F10-Y26 HydrophobicContact CE2-CE2 3.46Å; F10-Y26 VanDerWaalsContact CE2-CE2 3.46Å; F10-Y26 HydrophobicContact CE2-CG 4.07Å; W15-Y26 AromaticContact CH2-CD1 3.56Å; W15-Y26 HydrophobicContact CH2-CD1 3.56Å; W15-Y26 AromaticContact CH2-CE1 3.97Å; W15-Y26 HydrophobicContact CH2-CE1 3.97Å; W15-Y26 HydrophobicContact CH2-CG 4.45Å; W15-Y26 AromaticContact CZ3-CD1 3.27Å; W15-Y26 HydrophobicContact CZ3-CD1 3.27Å; W15-Y26 AromaticContact CZ3-CE1 3.52Å; W15-Y26 HydrophobicContact CZ3-CE1 3.52Å; W15-Y26 AromaticContact CZ3-CG 3.94Å; W15-Y26 HydrophobicContact CZ3-CG 3.94Å; Q22-Y26 WeakPolarHBondContact O-CB 3.22Å; Q22-Y26 PolarHBondContact O-N 3.3Å; S24-Y26 PolarHBondContact O-N 3.07Å; Y26-E28 VanDerWaalsContact C-N 3.28Å; Y26-E28 PolarHBondContact O-N 3.08Å; Y26-V29 PolarHBondContact O-N 3.48Å; Y26-M30 HydrophobicContact CD1-CG 4.1Å; Y26-M30 HydrophobicContact CD2-CG 3.8Å; Y26-M30 HydrophobicContact CD2-SD 4.27Å; Y26-M30 HydrophobicContact CE1-CG 3.81Å; Y26-M30 HydrophobicContact CE2-CG 3.49Å; Y26-M30 VanDerWaalsContact CE2-CG 3.49Å; Y26-M30 HydrophobicContact CE2-SD 3.88Å; Y26-M30 HydrophobicContact CG-CG 4.15Å; Y26-M30 WeakPolarHBondContact O-CB 3.38Å; Y26-M30 WeakPolarHBondContact O-CG 3.48Å; Y26-M30 PolarHBondContact O-N 3.14Å
27K63.1Low64.1Low81 Ų8164.9 Ų64.935%0.35235%0.345SS..Hα-helixtrans-59.2-40.6176.9-74.1173.5-179.8-172.20111.7K23 S24 L25 L31K23-K27 VanDerWaalsContact O-CG 3.25Å; K23-K27 WeakPolarHBondContact O-CG 3.3Å; K23-K27 PolarHBondContact O-N 2.81Å; K23-K27 VanDerWaalsContact O-N 3.13Å; S24-K27 PolarHBondContact O-N 3.44Å; L25-K27 PolarHBondContact O-N 2.82Å; K27-L31 VanDerWaalsContact O-CB 3.24Å; K27-L31 WeakPolarHBondContact O-CB 3.4Å; K27-L31 WeakPolarHBondContact O-CD1 3.35Å; K27-L31 WeakPolarHBondContact O-CG 3.4Å; K27-L31 PolarHBondContact O-N 3.31Å
28E61.9Low63.3Low77 Ų7760.4 Ų60.436%0.3632%0.324SS..Hα-helixtrans-66.7-45.2178.8-70.7-167.8-163.800112.7S24 L25 Y26 L31 E32 R64S24-E28 WeakPolarHBondContact O-CG 3.4Å; S24-E28 PolarHBondContact O-N 3.24Å; L25-E28 PolarHBondContact O-N 3.34Å; L25-E28 VanDerWaalsContact O-N 3.17Å; Y26-E28 VanDerWaalsContact C-N 3.28Å; Y26-E28 PolarHBondContact O-N 3.08Å; E28-L31 WeakPolarHBondContact O-CB 3.4Å; E28-L31 PolarHBondContact O-N 3.36Å; E28-E32 PolarHBondContact O-N 2.86Å; E28-R64 IonicContact OE1-NH2 3.67Å; E28-R64 PolarHBondContact OE1-NH2 3.22Å; E28-R64 IonicContact OE2-NH2 3.52Å; E28-R64 PolarHBondContact OE2-NH2 3.47Å
29V64.6Low62.8Low67 Ų6763.3 Ų63.341%0.40635%0.351SS..Hα-helixtrans-67.9-39.1178.3174.90000111.6L25 Y26 E32 T33L25-V29 HydrophobicContact CD1-CG2 4.18Å; L25-V29 HydrophobicContact CG-CG2 4.45Å; L25-V29 WeakPolarHBondContact O-CG2 3.43Å; L25-V29 PolarHBondContact O-N 2.76Å; Y26-V29 PolarHBondContact O-N 3.48Å; V29-E32 PolarHBondContact O-N 3.33Å; V29-T33 PolarHBondContact O-N 3.26Å; V29-T33 PolarHBondContact O-OG1 3.16Å
30M70Confident62.5Low9 Ų965 Ų654%0.04436%0.359CS..Hα-helixtrans-69.9-34.5176.7-65.6-30-63.300112.3H7 Y26 T33 Y34 F53H7-M30 HydrophobicContact CB-CE 3.86Å; H7-M30 WeakPolarHBondContact CD2-CE 3.16Å; Y26-M30 HydrophobicContact CD1-CG 4.1Å; Y26-M30 HydrophobicContact CD2-CG 3.8Å; Y26-M30 HydrophobicContact CD2-SD 4.27Å; Y26-M30 HydrophobicContact CE1-CG 3.81Å; Y26-M30 HydrophobicContact CE2-CG 3.49Å; Y26-M30 VanDerWaalsContact CE2-CG 3.49Å; Y26-M30 HydrophobicContact CE2-SD 3.88Å; Y26-M30 HydrophobicContact CG-CG 4.15Å; Y26-M30 WeakPolarHBondContact O-CB 3.38Å; Y26-M30 WeakPolarHBondContact O-CG 3.48Å; Y26-M30 PolarHBondContact O-N 3.14Å; M30-T33 HydrophobicContact CE-CG2 4.48Å; M30-T33 PolarHBondContact O-N 3.23Å; M30-Y34 WeakPolarHBondContact O-CB 3.3Å; M30-Y34 PolarHBondContact O-N 2.75Å; M30-F53 HydrophobicContact CB-CE1 4.17Å; M30-F53 HydrophobicContact CB-CZ 4.23Å
31L63.7Low62.4Low18 Ų1862.9 Ų62.99%0.09436%0.357CS..Hα-helixtrans-63.7-40.8170.9-79.4167.9000112K27 E28 Y34 E35 F53 R57K27-L31 VanDerWaalsContact O-CB 3.24Å; K27-L31 WeakPolarHBondContact O-CB 3.4Å; K27-L31 WeakPolarHBondContact O-CD1 3.35Å; K27-L31 WeakPolarHBondContact O-CG 3.4Å; K27-L31 PolarHBondContact O-N 3.31Å; E28-L31 WeakPolarHBondContact O-CB 3.4Å; E28-L31 PolarHBondContact O-N 3.36Å; L31-Y34 PolarHBondContact O-N 3.27Å; L31-E35 WeakPolarHBondContact O-CG 3.47Å; L31-E35 PolarHBondContact O-N 3.34Å; L31-F53 HydrophobicContact CD2-CB 3.77Å; L31-F53 HydrophobicContact CD2-CD1 3.54Å; L31-F53 HydrophobicContact CD2-CG 4.03Å; L31-F53 HydrophobicContact CG-CD1 3.72Å; L31-F53 HydrophobicContact CG-CE1 4.29Å; L31-R57 HydrophobicContact CD1-CB 4.18Å; L31-R57 HydrophobicContact CD1-CG 4.46Å; L31-R57 HydrophobicContact CD2-CB 4.37Å
32E64Low62.8Low94 Ų9464.5 Ų64.544%0.43935%0.35SS..Hα-helixtrans-66.3-43.1176.7-178.5166-155.700111.8E28 V29 Y34 E35 N36E28-E32 PolarHBondContact O-N 2.86Å; V29-E32 PolarHBondContact O-N 3.33Å; E32-Y34 VanDerWaalsContact C-N 3.31Å; E32-Y34 PolarHBondContact O-N 3.1Å; E32-E35 PolarHBondContact O-N 3.39Å; E32-N36 WeakPolarHBondContact O-CB 3.47Å; E32-N36 VanDerWaalsContact O-CG 3.25Å; E32-N36 PolarHBondContact O-N 2.84Å; E32-N36 PolarHBondContact O-ND2 2.88Å
33T65.7Low62.5Low29 Ų2967.5 Ų67.518%0.17837%0.369CS..Hα-helixtrans-59.3-44.6174.1-55.30000110.8V6 V29 M30 N36 L37V6-T33 HydrophobicContact CB-CG2 3.87Å; V6-T33 HydrophobicContact CG2-CG2 3.56Å; V29-T33 PolarHBondContact O-N 3.26Å; V29-T33 PolarHBondContact O-OG1 3.16Å; M30-T33 HydrophobicContact CE-CG2 4.48Å; M30-T33 PolarHBondContact O-N 3.23Å; T33-N36 PolarHBondContact O-N 3.15Å; T33-L37 HydrophobicContact CG2-CD1 4.28Å; T33-L37 VanDerWaalsContact O-CG 3.27Å; T33-L37 WeakPolarHBondContact O-CG 3.36Å; T33-L37 PolarHBondContact O-N 3.49Å
34Y64.6Low62.6Low42 Ų4267.9 Ų67.917%0.16537%0.369CS..Hα-helixtrans-60.7-48.9174.9167.1-126.5000112.7M30 L31 E32 N36 L37 T38 W44M30-Y34 WeakPolarHBondContact O-CB 3.3Å; M30-Y34 PolarHBondContact O-N 2.75Å; L31-Y34 PolarHBondContact O-N 3.27Å; E32-Y34 VanDerWaalsContact C-N 3.31Å; E32-Y34 PolarHBondContact O-N 3.1Å; Y34-N36 VanDerWaalsContact C-N 3.31Å; Y34-N36 PolarHBondContact O-N 2.96Å; Y34-L37 PolarHBondContact O-N 3.32Å; Y34-T38 VanDerWaalsContact CD2-OG1 3.27Å; Y34-T38 WeakPolarHBondContact CD2-OG1 3.49Å; Y34-T38 HydrophobicContact CE2-CG2 4.4Å; Y34-T38 WeakPolarHBondContact CE2-OG1 3.47Å; Y34-T38 PolarHBondContact O-N 3.08Å; Y34-T38 PolarHBondContact O-OG1 2.79Å; Y34-W44 HydrophobicContact CD1-CZ2 4.2Å; Y34-W44 AromaticContact CD2-CE2 3.45Å; Y34-W44 VanDerWaalsContact CD2-CE2 3.45Å; Y34-W44 AromaticContact CD2-CZ2 3.48Å; Y34-W44 HydrophobicContact CD2-CZ2 3.48Å; Y34-W44 VanDerWaalsContact CD2-CZ2 3.48Å; Y34-W44 AromaticContact CD2-NE1 2.89Å; Y34-W44 HydrophobicContact CE1-CH2 4.26Å; Y34-W44 AromaticContact CE1-CZ2 3.63Å; Y34-W44 HydrophobicContact CE1-CZ2 3.63Å; Y34-W44 AromaticContact CE2-CD1 3.97Å; Y34-W44 HydrophobicContact CE2-CD2 4.2Å; Y34-W44 AromaticContact CE2-CE2 2.95Å; Y34-W44 AromaticContact CE2-CH2 3.85Å; Y34-W44 HydrophobicContact CE2-CH2 3.85Å; Y34-W44 AromaticContact CE2-CZ2 2.84Å; Y34-W44 HydrophobicContact CE2-CZ2 2.84Å; Y34-W44 AromaticContact CE2-NE1 2.79Å; Y34-W44 HydrophobicContact CG-CZ2 4.12Å; Y34-W44 AromaticContact CZ-CE2 3.56Å; Y34-W44 AromaticContact CZ-CH2 3.52Å; Y34-W44 AromaticContact CZ-CZ2 2.89Å; Y34-W44 AromaticContact CZ-NE1 3.86Å; Y34-W44 WeakPolarHBondContact OH-CH2 3.47Å; Y34-W44 WeakPolarHBondContact OH-CZ2 3.46Å
35E61.8Low62.3Low41 Ų4174.3 Ų74.319%0.19239%0.393CS..Hα-helixtrans-59.1-41.8179.2-77178.3-149.700112.1L31 E32 A39 R57 H84L31-E35 WeakPolarHBondContact O-CG 3.47Å; L31-E35 PolarHBondContact O-N 3.34Å; E32-E35 PolarHBondContact O-N 3.39Å; E35-A39 WeakPolarHBondContact O-CB 3.41Å; E35-A39 PolarHBondContact O-N 3.3Å; E35-R57 VanDerWaalsContact CD-CZ 3.48Å; E35-R57 IonicContact OE1-CZ 3.84Å; E35-R57 IonicContact OE1-NE 3.33Å; E35-R57 PolarHBondContact OE1-NE 3.48Å; E35-R57 IonicContact OE1-NH1 3.53Å; E35-R57 PolarHBondContact OE1-NH1 3.06Å; E35-R57 IonicContact OE1-NH2 3.04Å; E35-R57 PolarHBondContact OE1-NH2 2.94Å; E35-R57 IonicContact OE2-CZ 2.95Å; E35-R57 IonicContact OE2-NH2 2.86Å; E35-R57 PolarHBondContact OE2-NH2 3.22Å; E35-H84 IonicContact OE2-ND1 3.34Å
36N64.2Low62.1Low87 Ų8773.4 Ų73.447%0.46539%0.389SS..Hα-helixtrans-65.8-43.6178.5-70.5-27.5000112E32 T33 Y34 A39 I40E32-N36 WeakPolarHBondContact O-CB 3.47Å; E32-N36 VanDerWaalsContact O-CG 3.25Å; E32-N36 PolarHBondContact O-N 2.84Å; E32-N36 PolarHBondContact O-ND2 2.88Å; T33-N36 PolarHBondContact O-N 3.15Å; Y34-N36 VanDerWaalsContact C-N 3.31Å; Y34-N36 PolarHBondContact O-N 2.96Å; N36-A39 PolarHBondContact O-N 3Å; N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 2.98Å
37L61.7Low61.6Low21 Ų2178.3 Ų78.311%0.1141%0.412CS..Hα-helixtrans-65.8-40.5177.5-69.7176000112.3M1 V6 T33 Y34 A39 I40 Y42M1-L37 HydrophobicContact CE-CD2 4.4Å; V6-L37 HydrophobicContact CG2-CD1 3.88Å; T33-L37 HydrophobicContact CG2-CD1 4.28Å; T33-L37 VanDerWaalsContact O-CG 3.27Å; T33-L37 WeakPolarHBondContact O-CG 3.36Å; T33-L37 PolarHBondContact O-N 3.49Å; Y34-L37 PolarHBondContact O-N 3.32Å; L37-A39 VanDerWaalsContact C-N 3.31Å; L37-A39 PolarHBondContact O-N 2.91Å; L37-I40 HydrophobicContact CD2-CD1 4.18Å; L37-I40 WeakPolarHBondContact O-CG1 3.43Å; L37-I40 PolarHBondContact O-N 3.46Å; L37-Y42 WeakPolarHBondContact O-CB 3.47Å; L37-Y42 PolarHBondContact O-N 3.35Å; L37-Y42 VanDerWaalsContact O-N 3.13Å
38T60.3Low61.1Low54 Ų5482.3 Ų82.333%0.33143%0.426SS..Hα-helixtrans-66.4-37.3177.5-40.70000111.4Y34 I40 G41Y34-T38 VanDerWaalsContact CD2-OG1 3.27Å; Y34-T38 WeakPolarHBondContact CD2-OG1 3.49Å; Y34-T38 HydrophobicContact CE2-CG2 4.4Å; Y34-T38 WeakPolarHBondContact CE2-OG1 3.47Å; Y34-T38 PolarHBondContact O-N 3.08Å; Y34-T38 PolarHBondContact O-OG1 2.79Å; T38-I40 PolarHBondContact O-N 2.82Å; T38-G41 PolarHBondContact O-N 3.25Å
39A60.3Low60.9Low87 Ų8781.8 Ų81.872%0.71943%0.426SS*.Hα-helixtrans-64.5-26.6178.300000113.2E35 N36 L37 G41E35-A39 WeakPolarHBondContact O-CB 3.41Å; E35-A39 PolarHBondContact O-N 3.3Å; N36-A39 PolarHBondContact O-N 3Å; L37-A39 VanDerWaalsContact C-N 3.31Å; L37-A39 PolarHBondContact O-N 2.91Å; A39-G41 VanDerWaalsContact C-N 3.31Å
40I64.5Low60.6Low111 Ų11180.7 Ų80.757%0.56942%0.416SS*.THydrogen-bonded Turntrans-92.213.2173.459.9165.2000113N36 L37 T38 Y42N36-I40 WeakPolarHBondContact O-CG1 3.47Å; N36-I40 PolarHBondContact O-N 2.98Å; L37-I40 HydrophobicContact CD2-CD1 4.18Å; L37-I40 WeakPolarHBondContact O-CG1 3.43Å; L37-I40 PolarHBondContact O-N 3.46Å; T38-I40 PolarHBondContact O-N 2.82Å; I40-Y42 HydrophobicContact CD1-CD2 3.76Å; I40-Y42 HydrophobicContact CD1-CE2 3.78Å; I40-Y42 HydrophobicContact CG1-CD2 3.78Å; I40-Y42 HydrophobicContact CG1-CE2 4.25Å
41G56Low60.3Low65 Ų6586.6 Ų86.667%0.6744%0.443SS*.THydrogen-bonded Turntrans86.512.217100000115.3T38 A39 N43T38-G41 PolarHBondContact O-N 3.25Å; A39-G41 VanDerWaalsContact C-N 3.31Å; G41-N43 PolarHBondContact O-N 3.05Å
42Y59.2Low60.3Low126 Ų12691 Ų9149%0.49446%0.464SS..  trans-77.8123.5171.8-79-105000109.9L37 I40L37-Y42 WeakPolarHBondContact O-CB 3.47Å; L37-Y42 PolarHBondContact O-N 3.35Å; L37-Y42 VanDerWaalsContact O-N 3.13Å; I40-Y42 HydrophobicContact CD1-CD2 3.76Å; I40-Y42 HydrophobicContact CD1-CE2 3.78Å; I40-Y42 HydrophobicContact CG1-CD2 3.78Å; I40-Y42 HydrophobicContact CG1-CE2 4.25Å
43N56.5Low60.3Low151 Ų15188.3 Ų88.381%0.80745%0.45SS*.  trans-109.4133.1174.9-149.515.2000107.9G41G41-N43 PolarHBondContact O-N 3.05Å
44W64.5Low60.2Low61 Ų6190.2 Ų90.223%0.23146%0.458CS..  trans-108.9154.5174.134.1-111.6000110.3Y34 E50Y34-W44 HydrophobicContact CD1-CZ2 4.2Å; Y34-W44 AromaticContact CD2-CE2 3.45Å; Y34-W44 VanDerWaalsContact CD2-CE2 3.45Å; Y34-W44 AromaticContact CD2-CZ2 3.48Å; Y34-W44 HydrophobicContact CD2-CZ2 3.48Å; Y34-W44 VanDerWaalsContact CD2-CZ2 3.48Å; Y34-W44 AromaticContact CD2-NE1 2.89Å; Y34-W44 HydrophobicContact CE1-CH2 4.26Å; Y34-W44 AromaticContact CE1-CZ2 3.63Å; Y34-W44 HydrophobicContact CE1-CZ2 3.63Å; Y34-W44 AromaticContact CE2-CD1 3.97Å; Y34-W44 HydrophobicContact CE2-CD2 4.2Å; Y34-W44 AromaticContact CE2-CE2 2.95Å; Y34-W44 AromaticContact CE2-CH2 3.85Å; Y34-W44 HydrophobicContact CE2-CH2 3.85Å; Y34-W44 AromaticContact CE2-CZ2 2.84Å; Y34-W44 HydrophobicContact CE2-CZ2 2.84Å; Y34-W44 AromaticContact CE2-NE1 2.79Å; Y34-W44 HydrophobicContact CG-CZ2 4.12Å; Y34-W44 AromaticContact CZ-CE2 3.56Å; Y34-W44 AromaticContact CZ-CH2 3.52Å; Y34-W44 AromaticContact CZ-CZ2 2.89Å; Y34-W44 AromaticContact CZ-NE1 3.86Å; Y34-W44 WeakPolarHBondContact OH-CH2 3.47Å; Y34-W44 WeakPolarHBondContact OH-CZ2 3.46Å; W44-E50 HydrophobicContact CE3-CB 4.41Å; W44-E50 HydrophobicContact CH2-CB 3.23Å; W44-E50 HydrophobicContact CH2-CG 3.28Å; W44-E50 WeakPolarHBondContact CH2-OE1 3.34Å; W44-E50 HydrophobicContact CZ2-CB 4.35Å; W44-E50 HydrophobicContact CZ3-CB 3.28Å; W44-E50 HydrophobicContact CZ3-CG 3.54Å; W44-E50 WeakPolarHBondContact CZ3-OE2 3.25Å
45E53.2Low60.3Low192 Ų19291.7 Ų91.790%0.89747%0.474SS*.  trans-101.811.4-172.7-65-170.7154.600113.1H47E45-H47 PolarHBondContact O-N 3.37Å
46D57.1Low60.6Low92 Ų9291.9 Ų91.949%0.49248%0.48SS..  trans-102.177.8-173.8-136.8-25.5000112.3Y48 I49 E50D46-Y48 PolarHBondContact O-N 3.28Å; D46-Y48 VanDerWaalsContact O-N 3.13Å; D46-I49 HydrophobicContact CB-CD1 4.3Å; D46-I49 PolarHBondContact O-N 3.45Å; D46-E50 PolarHBondContact O-N 3.18Å
47H56.2Low60.7Low139 Ų13991.6 Ų91.664%0.64447%0.472SS*.Hα-helixtrans-59-22.3-176.1-77.5-64.4000114.7E45 E50 E51E45-H47 PolarHBondContact O-N 3.37Å; H47-E50 IonicContact CE1-OE2 3.86Å; H47-E50 IonicContact ND1-OE2 3.17Å; H47-E50 PolarHBondContact ND1-OE2 3.09Å; H47-E50 VanDerWaalsContact ND1-OE2 3.17Å; H47-E50 WeakPolarHBondContact O-CB 3.44Å; H47-E51 PolarHBondContact O-N 3.35Å
48Y52.7Low61Low165 Ų16598.1 Ų98.165%0.64750%0.495SS*.Hα-helixtrans-73.3-41.3177.4179.3-103.4000112.1D46 Q52D46-Y48 PolarHBondContact O-N 3.28Å; D46-Y48 VanDerWaalsContact O-N 3.13Å; Y48-Q52 PolarHBondContact O-N 2.86Å
49I58.2Low61.6Low67 Ų6799.2 Ų99.234%0.34450%0.499SS..Hα-helixtrans-68.9-40.8177.6-64.9179.3000109.4D46 E51 Q52 F53D46-I49 HydrophobicContact CB-CD1 4.3Å; D46-I49 PolarHBondContact O-N 3.45Å; I49-E51 PolarHBondContact O-N 3.41Å; I49-Q52 PolarHBondContact O-N 2.86Å; I49-F53 HydrophobicContact CG2-CD2 3.52Å; I49-F53 HydrophobicContact CG2-CE2 3.49Å; I49-F53 VanDerWaalsContact CG2-CE2 3.49Å; I49-F53 WeakPolarHBondContact O-CD2 3.49Å; I49-F53 PolarHBondContact O-N 3.18Å; I49-F53 VanDerWaalsContact O-N 3.15Å
50E58.5Low62.2Low44 Ų4496.4 Ų96.421%0.20648%0.479CS..Hα-helixtrans-48.7-55.1172.8-179.4151.6-141.900113.4W44 D46 H47 Q52 F53 Q54W44-E50 HydrophobicContact CE3-CB 4.41Å; W44-E50 HydrophobicContact CH2-CB 3.23Å; W44-E50 HydrophobicContact CH2-CG 3.28Å; W44-E50 WeakPolarHBondContact CH2-OE1 3.34Å; W44-E50 HydrophobicContact CZ2-CB 4.35Å; W44-E50 HydrophobicContact CZ3-CB 3.28Å; W44-E50 HydrophobicContact CZ3-CG 3.54Å; W44-E50 WeakPolarHBondContact CZ3-OE2 3.25Å; D46-E50 PolarHBondContact O-N 3.18Å; H47-E50 IonicContact CE1-OE2 3.86Å; H47-E50 IonicContact ND1-OE2 3.17Å; H47-E50 PolarHBondContact ND1-OE2 3.09Å; H47-E50 VanDerWaalsContact ND1-OE2 3.17Å; H47-E50 WeakPolarHBondContact O-CB 3.44Å; E50-Q52 PolarHBondContact O-N 2.96Å; E50-F53 PolarHBondContact O-N 2.98Å; E50-Q54 HydrophobicContact CG-CG 4.27Å; E50-Q54 WeakPolarHBondContact O-CB 3.44Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.28Å; E50-Q54 PolarHBondContact OE1-NE2 3.46Å
51E64.1Low62.7Low132 Ų13295.3 Ų95.362%0.61747%0.467SS*.Hα-helixtrans-66.3-42.2-170.6-169.5-178.3-172.800111.5H47 I49 Q54 S55H47-E51 PolarHBondContact O-N 3.35Å; I49-E51 PolarHBondContact O-N 3.41Å; E51-Q54 PolarHBondContact O-N 3.02Å; E51-S55 WeakPolarHBondContact O-CB 3.34Å; E51-S55 PolarHBondContact O-N 3.33Å
52Q62.6Low63.6Low112 Ų11298 Ų9852%0.52346%0.462SS..Hα-helixtrans-61.9-44.7176.9-71.5-66.7-28.700111.8Y48 I49 E50 S55 S56Y48-Q52 PolarHBondContact O-N 2.86Å; I49-Q52 PolarHBondContact O-N 2.86Å; E50-Q52 PolarHBondContact O-N 2.96Å; Q52-S55 PolarHBondContact O-N 3.45Å; Q52-S56 PolarHBondContact O-N 3.29Å
53F64.2Low64.4Low36 Ų3697.4 Ų97.416%0.15846%0.462CS..Hα-helixtrans-66.5-42.1176.7-86-67000112.2M30 L31 I49 E50 S55 R57M30-F53 HydrophobicContact CB-CE1 4.17Å; M30-F53 HydrophobicContact CB-CZ 4.23Å; L31-F53 HydrophobicContact CD2-CB 3.77Å; L31-F53 HydrophobicContact CD2-CD1 3.54Å; L31-F53 HydrophobicContact CD2-CG 4.03Å; L31-F53 HydrophobicContact CG-CD1 3.72Å; L31-F53 HydrophobicContact CG-CE1 4.29Å; I49-F53 HydrophobicContact CG2-CD2 3.52Å; I49-F53 HydrophobicContact CG2-CE2 3.49Å; I49-F53 VanDerWaalsContact CG2-CE2 3.49Å; I49-F53 WeakPolarHBondContact O-CD2 3.49Å; I49-F53 PolarHBondContact O-N 3.18Å; I49-F53 VanDerWaalsContact O-N 3.15Å; E50-F53 PolarHBondContact O-N 2.98Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.45Å; F53-R57 VanDerWaalsContact O-CB 3.3Å; F53-R57 WeakPolarHBondContact O-CB 3.48Å; F53-R57 PolarHBondContact O-N 2.87Å
54Q64.3Low65.5Low70 Ų7091.1 Ų91.133%0.32743%0.427SS..Hα-helixtrans-63.1-40.4177-73.5-173.520.900112.2E50 E51 R58E50-Q54 HydrophobicContact CG-CG 4.27Å; E50-Q54 WeakPolarHBondContact O-CB 3.44Å; E50-Q54 VanDerWaalsContact O-CG 3.25Å; E50-Q54 WeakPolarHBondContact O-CG 3.28Å; E50-Q54 PolarHBondContact O-N 3.28Å; E50-Q54 PolarHBondContact OE1-NE2 3.46Å; E51-Q54 PolarHBondContact O-N 3.02Å; Q54-R58 VanDerWaalsContact O-CG 3.3Å; Q54-R58 WeakPolarHBondContact O-CG 3.25Å; Q54-R58 PolarHBondContact O-N 2.96Å
55S66.9Low66.1Low73 Ų7391.3 Ų91.351%0.5145%0.448SS..Hα-helixtrans-65-50.6177.5-174.80000111.8E51 Q52 F53 R57 R58 D59E51-S55 WeakPolarHBondContact O-CB 3.34Å; E51-S55 PolarHBondContact O-N 3.33Å; Q52-S55 PolarHBondContact O-N 3.45Å; F53-S55 VanDerWaalsContact C-N 3.34Å; F53-S55 PolarHBondContact O-N 3.45Å; S55-R57 VanDerWaalsContact C-N 3.28Å; S55-R57 PolarHBondContact O-N 3.22Å; S55-R58 WeakPolarHBondContact O-CB 3.47Å; S55-R58 PolarHBondContact O-N 3.39Å; S55-D59 PolarHBondContact O-N 2.98Å
56S68.1Low67.3Low44 Ų4488.9 Ų88.931%0.30844%0.436SS..Hα-helixtrans-58-40.2176.4-169.80000112Q52 R58 D59 G60Q52-S56 PolarHBondContact O-N 3.29Å; S56-R58 VanDerWaalsContact C-N 3.34Å; S56-R58 PolarHBondContact O-N 2.9Å; S56-D59 PolarHBondContact O-N 3.48Å; S56-G60 PolarHBondContact O-N 3.36Å
57R66.3Low68.5Low81 Ų8189.2 Ų89.231%0.30644%0.442SS..Hα-helixtrans-66.7-33.3176.1-168.3-175178.5-166.14.1112.5L31 E35 F53 S55 R61L31-R57 HydrophobicContact CD1-CB 4.18Å; L31-R57 HydrophobicContact CD1-CG 4.46Å; L31-R57 HydrophobicContact CD2-CB 4.37Å; E35-R57 VanDerWaalsContact CD-CZ 3.48Å; E35-R57 IonicContact OE1-CZ 3.84Å; E35-R57 IonicContact OE1-NE 3.33Å; E35-R57 PolarHBondContact OE1-NE 3.48Å; E35-R57 IonicContact OE1-NH1 3.53Å; E35-R57 PolarHBondContact OE1-NH1 3.06Å; E35-R57 IonicContact OE1-NH2 3.04Å; E35-R57 PolarHBondContact OE1-NH2 2.94Å; E35-R57 IonicContact OE2-CZ 2.95Å; E35-R57 IonicContact OE2-NH2 2.86Å; E35-R57 PolarHBondContact OE2-NH2 3.22Å; F53-R57 VanDerWaalsContact O-CB 3.3Å; F53-R57 WeakPolarHBondContact O-CB 3.48Å; F53-R57 PolarHBondContact O-N 2.87Å; S55-R57 VanDerWaalsContact C-N 3.28Å; S55-R57 PolarHBondContact O-N 3.22Å; R57-R61 WeakPolarHBondContact O-CB 3.43Å; R57-R61 WeakPolarHBondContact O-CG 3.42Å; R57-R61 PolarHBondContact O-N 2.89Å; R57-R61 VanDerWaalsContact O-N 3.15Å; R57-R61 PolarHBondContact O-NE 2.76Å
58R68.5Low69.8Low159 Ų15985 Ų8560%0.644%0.435SS*.Hα-helixtrans-68.8-45.6175.9-74.4173.3-165.5-166.16.8110.7Q54 S55 S56 R61 H62Q54-R58 VanDerWaalsContact O-CG 3.3Å; Q54-R58 WeakPolarHBondContact O-CG 3.25Å; Q54-R58 PolarHBondContact O-N 2.96Å; S55-R58 WeakPolarHBondContact O-CB 3.47Å; S55-R58 PolarHBondContact O-N 3.39Å; S56-R58 VanDerWaalsContact C-N 3.34Å; S56-R58 PolarHBondContact O-N 2.9Å; R58-R61 PolarHBondContact O-N 2.88Å; R58-H62 WeakPolarHBondContact O-CB 3.36Å; R58-H62 PolarHBondContact O-N 2.98Å
59D72.4Confident71.3Confident77 Ų7781.6 Ų81.641%0.41243%0.426SS..Hα-helixtrans-62.6-48.8178.3-176.241.9000111.9S55 S56 R61 H62 K63S55-D59 PolarHBondContact O-N 2.98Å; S56-D59 PolarHBondContact O-N 3.48Å; D59-R61 VanDerWaalsContact C-N 3.35Å; D59-R61 PolarHBondContact O-N 2.96Å; D59-H62 WeakPolarHBondContact O-CB 3.33Å; D59-H62 PolarHBondContact O-N 3.36Å; D59-H62 VanDerWaalsContact O-N 3.13Å; D59-K63 WeakPolarHBondContact O-CG 3.47Å; D59-K63 PolarHBondContact O-N 3.35Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.36Å; D59-K63 IonicContact OD1-NZ 2.71Å; D59-K63 WeakPolarHBondContact OD2-CE 3.15Å; D59-K63 IonicContact OD2-NZ 3.96Å; D59-K63 PolarHBondContact OD2-NZ 3.34Å
60G72.1Confident72.5Confident28 Ų2884.5 Ų84.529%0.28944%0.436SS..Hα-helixtrans-58.5-43.2176.200000113S56 H62 K63 R64S56-G60 PolarHBondContact O-N 3.36Å; G60-H62 VanDerWaalsContact C-N 3.34Å; G60-H62 PolarHBondContact O-N 3.12Å; G60-K63 PolarHBondContact O-N 3.23Å; G60-R64 WeakPolarHBondContact O-CG 3.47Å; G60-R64 PolarHBondContact O-N 2.86Å; G60-R64 VanDerWaalsContact O-N 3.1Å
61R74.2Confident73.5Confident87 Ų8785.1 Ų85.133%0.32844%0.443SS..Hα-helixtrans-65.5-35176.3-76.6-178.5-65.3-168-0.2113.3R57 R58 D59R57-R61 WeakPolarHBondContact O-CB 3.43Å; R57-R61 WeakPolarHBondContact O-CG 3.42Å; R57-R61 PolarHBondContact O-N 2.89Å; R57-R61 VanDerWaalsContact O-N 3.15Å; R57-R61 PolarHBondContact O-NE 2.76Å; R58-R61 PolarHBondContact O-N 2.88Å; D59-R61 VanDerWaalsContact C-N 3.35Å; D59-R61 PolarHBondContact O-N 2.96Å
62H76.4Confident74.2Confident121 Ų12181.7 Ų81.756%0.5643%0.425SS*.Hα-helixtrans-67.7-48.5176.9178.573.9000110.4R58 D59 G60 R64 G65 H66R58-H62 WeakPolarHBondContact O-CB 3.36Å; R58-H62 PolarHBondContact O-N 2.98Å; D59-H62 WeakPolarHBondContact O-CB 3.33Å; D59-H62 PolarHBondContact O-N 3.36Å; D59-H62 VanDerWaalsContact O-N 3.13Å; G60-H62 VanDerWaalsContact C-N 3.34Å; G60-H62 PolarHBondContact O-N 3.12Å; H62-R64 PolarHBondContact O-N 3.1Å; H62-G65 PolarHBondContact O-N 3.44Å; H62-H66 AromaticContact CD2-CD2 3.97Å; H62-H66 AromaticContact CD2-NE2 3.65Å; H62-H66 AromaticContact CE1-NE2 3.3Å; H62-H66 PolarHBondContact CE1-NE2 3Å; H62-H66 VanDerWaalsContact CE1-NE2 3.3Å; H62-H66 AromaticContact NE2-CD2 3.72Å; H62-H66 AromaticContact NE2-NE2 2.94Å; H62-H66 PolarHBondContact NE2-NE2 3.12Å
63K75.3Confident75Confident114 Ų11481.5 Ų81.550%0.49642%0.424SS..Hα-helixtrans-58.1-44.1178.7-75.2173.1175.6165.90113D59 G60 G65 H66 T67D59-K63 WeakPolarHBondContact O-CG 3.47Å; D59-K63 PolarHBondContact O-N 3.35Å; D59-K63 VanDerWaalsContact OD1-CE 3.26Å; D59-K63 WeakPolarHBondContact OD1-CE 3.36Å; D59-K63 IonicContact OD1-NZ 2.71Å; D59-K63 WeakPolarHBondContact OD2-CE 3.15Å; D59-K63 IonicContact OD2-NZ 3.96Å; D59-K63 PolarHBondContact OD2-NZ 3.34Å; G60-K63 PolarHBondContact O-N 3.23Å; K63-G65 PolarHBondContact O-N 3.33Å; K63-G65 VanDerWaalsContact O-N 3.13Å; K63-H66 PolarHBondContact O-N 3.05Å; K63-T67 PolarHBondContact O-N 2.96Å; K63-T67 VanDerWaalsContact O-N 3.12Å; K63-T67 PolarHBondContact O-OG1 2.95Å
64R79.5Confident75.8Confident19 Ų1979.8 Ų79.87%0.07242%0.417CS..Hα-helixtrans-58.4-26.4175.8-69.5179.9-173.5178.63.6113.5E28 G60 H62 H66 T67 G68 E69 Y72E28-R64 IonicContact OE1-NH2 3.67Å; E28-R64 PolarHBondContact OE1-NH2 3.22Å; E28-R64 IonicContact OE2-NH2 3.52Å; E28-R64 PolarHBondContact OE2-NH2 3.47Å; G60-R64 WeakPolarHBondContact O-CG 3.47Å; G60-R64 PolarHBondContact O-N 2.86Å; G60-R64 VanDerWaalsContact O-N 3.1Å; H62-R64 PolarHBondContact O-N 3.1Å; R64-H66 VanDerWaalsContact C-N 3.34Å; R64-T67 WeakPolarHBondContact CA-OG1 3.42Å; R64-G68 PolarHBondContact O-N 2.86Å; R64-E69 HydrophobicContact CG-CB 4.21Å; R64-E69 IonicContact NE-OE2 2.66Å; R64-Y72 PolarHBondContact NH1-OH 3.46Å; R64-Y72 VanDerWaalsContact NH1-OH 3.11Å
65G77.2Confident76.6Confident65 Ų6583.7 Ų83.767%0.6744%0.44SS*.Hα-helixtrans-68.4-31.7174.700000113.5H62 K63H62-G65 PolarHBondContact O-N 3.44Å; K63-G65 PolarHBondContact O-N 3.33Å; K63-G65 VanDerWaalsContact O-N 3.13Å
66H77.6Confident76.9Confident141 Ų14187.2 Ų87.265%0.65345%0.448SS*.Hα-helixtrans-84.1-38.8178-62.4-60.6000112.3H62 K63 R64H62-H66 AromaticContact CD2-CD2 3.97Å; H62-H66 AromaticContact CD2-NE2 3.65Å; H62-H66 AromaticContact CE1-NE2 3.3Å; H62-H66 PolarHBondContact CE1-NE2 3Å; H62-H66 VanDerWaalsContact CE1-NE2 3.3Å; H62-H66 AromaticContact NE2-CD2 3.72Å; H62-H66 AromaticContact NE2-NE2 2.94Å; H62-H66 PolarHBondContact NE2-NE2 3.12Å; K63-H66 PolarHBondContact O-N 3.05Å; R64-H66 VanDerWaalsContact C-N 3.34Å
67T83.6Confident77.7Confident100 Ų10087.9 Ų87.961%0.61345%0.452SS*.Hα-helixtrans-82.8-17.8-177.2600000113.3K63 R64 E69K63-T67 PolarHBondContact O-N 2.96Å; K63-T67 VanDerWaalsContact O-N 3.12Å; K63-T67 PolarHBondContact O-OG1 2.95Å; R64-T67 WeakPolarHBondContact CA-OG1 3.42Å; T67-E69 PolarHBondContact O-N 3.11Å; T67-E69 WeakPolarHBondContact OG1-CB 3.37Å; T67-E69 PolarHBondContact OG1-N 2.97Å
68G83.5Confident78.5Confident49 Ų4986 Ų8651%0.50546%0.458SS..  trans72.59.7-174.800000113.8R64 K70R64-G68 PolarHBondContact O-N 2.86Å; G68-K70 PolarHBondContact O-N 3.45Å
69E83.6Confident79.3Confident95 Ų9581.3 Ų81.344%0.44445%0.447SS..  trans-60.5132.5179.6-168.6-166.9170.100111.1R64 T67 P71 A82R64-E69 HydrophobicContact CG-CB 4.21Å; R64-E69 IonicContact NE-OE2 2.66Å; T67-E69 PolarHBondContact O-N 3.11Å; T67-E69 WeakPolarHBondContact OG1-CB 3.37Å; T67-E69 PolarHBondContact OG1-N 2.97Å; E69-P71 HydrophobicContact CG-CG 3.85Å; E69-P71 WeakPolarHBondContact OE1-CG 3.4Å; E69-A82 WeakPolarHBondContact O-CB 3.44Å
70K83.9Confident79.9Confident128 Ų12879.2 Ų79.256%0.55744%0.441SS*.  trans-128.975.3-177.7-69.8170.7179.9-176.70111.3G68 Y72 A80 F81 A82G68-K70 PolarHBondContact O-N 3.45Å; K70-Y72 PolarHBondContact O-N 3.13Å; K70-A80 HydrophobicContact CB-CB 3.74Å; K70-A80 HydrophobicContact CD-CB 4.38Å; K70-F81 CarbonylContact C-O 3.57Å; K70-F81 VanDerWaalsContact C-O 3.32Å; K70-F81 WeakPolarHBondContact CA-O 3.42Å; K70-A82 HydrophobicContact CG-CB 4.41Å
71P79.6Confident80.3Confident56 Ų5679.8 Ų79.836%0.36444%0.435SS..  trans-70.7-15.9-172.6-23.238.1000114.5E69E69-P71 HydrophobicContact CG-CG 3.85Å; E69-P71 WeakPolarHBondContact OE1-CG 3.4Å
72Y78.6Confident80.6Confident60 Ų6077 Ų7724%0.23543%0.431CS..EExtended strand (participates in β ladder)trans-101.798.6-172.1-55.4-72.6000110.5R64 K70 A80 F81 H84R64-Y72 PolarHBondContact NH1-OH 3.46Å; R64-Y72 VanDerWaalsContact NH1-OH 3.11Å; K70-Y72 PolarHBondContact O-N 3.13Å; Y72-A80 CarbonylContact O-C 3.52Å; Y72-A80 WeakPolarHBondContact O-CA 3.04Å; Y72-F81 WeakPolarHBondContact CB-O 3.49Å; Y72-F81 WeakPolarHBondContact CD2-O 3.18Å; Y72-F81 PolarHBondContact N-O 3.29Å; Y72-F81 VanDerWaalsContact N-O 3.1Å; Y72-F81 PolarHBondContact O-N 3.39Å; Y72-H84 HydrophobicContact CD1-CB 4.03Å; Y72-H84 HydrophobicContact CD2-CB 4.41Å; Y72-H84 HydrophobicContact CE1-CB 3.8Å; Y72-H84 HydrophobicContact CE2-CB 4.16Å; Y72-H84 VanDerWaalsContact CE2-N 3.26Å; Y72-H84 HydrophobicContact CG-CB 4.34Å
73E79.8Confident80.6Confident108 Ų10877.4 Ų77.451%0.50543%0.428SS..EExtended strand (participates in β ladder)trans-96.5142.4-179.7-164.8175.7149.500112.8N75 G78 A80 L87E73-N75 PolarHBondContact O-N 3.13Å; E73-G78 WeakPolarHBondContact OE1-CA 3.36Å; E73-A80 HydrophobicContact CG-CB 4.46Å; E73-L87 WeakPolarHBondContact O-CD2 3.47Å
74C79.8Confident80.5Confident1 Ų173.6 Ų73.61%0.00741%0.411CS..  trans-82.6109.3170.5-173.80000110.7H76 C77 G78 T79 L87 H94C74-H76 PolarHBondContact O-N 3.03Å; C74-C77 PolarHBondContact O-N 3.41Å; C74-C77 VanDerWaalsContact O-N 3.16Å; C74-G78 WeakPolarHBondContact O-CA 3.37Å; C74-G78 PolarHBondContact O-N 3.3Å; C74-T79 WeakPolarHBondContact CB-O 3.38Å; C74-T79 PolarHBondContact N-O 3.29Å; C74-L87 HydrophobicContact CB-CD1 3.69Å; C74-H94 PolarHBondContact SG-NE2 3.1Å
75N81.3Confident80.1Confident152 Ų15274.9 Ų74.981%0.81343%0.431SS*.THydrogen-bonded Turntrans-59-16.5177.5-59.2-10.4000114.5E73E73-N75 PolarHBondContact O-N 3.13Å
76H74.1Confident80Confident147 Ų14775.1 Ų75.168%0.68141%0.414SS*.THydrogen-bonded Turntrans-85.5-33.9179.2-170.164.5000113.3C74 H94C74-H76 PolarHBondContact O-N 3.03Å; H76-H94 AromaticContact CD2-CD2 3.88Å; H76-H94 AromaticContact CD2-CE1 3.8Å; H76-H94 AromaticContact CD2-CG 3.56Å; H76-H94 AromaticContact CD2-ND1 3.53Å
77C84.8Confident80Confident58 Ų5868.9 Ų68.939%0.39239%0.386SS..THydrogen-bonded Turntrans-139.710.4-172.869.90000114.7C74 T79 H90 H94C74-C77 PolarHBondContact O-N 3.41Å; C74-C77 VanDerWaalsContact O-N 3.16Å; C77-T79 PolarHBondContact O-N 3.06Å; C77-T79 VanDerWaalsContact O-N 3.07Å; C77-T79 PolarHBondContact SG-OG1 3.35Å; C77-H90 PolarHBondContact SG-NE2 2.95Å; C77-H94 PolarHBondContact SG-NE2 3.43Å
78G83.6Confident79.5Confident41 Ų4168.2 Ų68.242%0.42338%0.376SS..  trans66.96.917700000115.3E73 C74 A80E73-G78 WeakPolarHBondContact OE1-CA 3.36Å; C74-G78 WeakPolarHBondContact O-CA 3.37Å; C74-G78 PolarHBondContact O-N 3.3Å; G78-A80 PolarHBondContact O-N 2.94Å
79T84.4Confident78.9Confident61 Ų6170.8 Ų70.837%0.37437%0.37SS..  trans-75.8121.4-177.7-55.40000110.3C74 C77 F81C74-T79 WeakPolarHBondContact CB-O 3.38Å; C74-T79 PolarHBondContact N-O 3.29Å; C77-T79 PolarHBondContact O-N 3.06Å; C77-T79 VanDerWaalsContact O-N 3.07Å; C77-T79 PolarHBondContact SG-OG1 3.35Å; T79-F81 HydrophobicContact CG2-CE1 4.24Å; T79-F81 HydrophobicContact CG2-CE2 3.76Å; T79-F81 HydrophobicContact CG2-CZ 3.51Å; T79-F81 WeakPolarHBondContact O-CD2 3.36Å; T79-F81 VanDerWaalsContact O-CE2 3.25Å; T79-F81 WeakPolarHBondContact O-CE2 3.42Å
80A84.8Confident78.6Confident33 Ų3367.9 Ų67.927%0.27336%0.356SS..EExtended strand (participates in β ladder)trans-98.6144.8-177.900000113.4K70 Y72 E73 G78K70-A80 HydrophobicContact CB-CB 3.74Å; K70-A80 HydrophobicContact CD-CB 4.38Å; Y72-A80 CarbonylContact O-C 3.52Å; Y72-A80 WeakPolarHBondContact O-CA 3.04Å; E73-A80 HydrophobicContact CG-CB 4.46Å; G78-A80 PolarHBondContact O-N 2.94Å
81F80.4Confident78.1Confident39 Ų3965.4 Ų65.417%0.17135%0.346CS..EExtended strand (participates in β ladder)trans-131.2146.1-176.6-57.9-88.6000111.6K70 Y72 T79 R83 H86 L87 H90K70-F81 CarbonylContact C-O 3.57Å; K70-F81 VanDerWaalsContact C-O 3.32Å; K70-F81 WeakPolarHBondContact CA-O 3.42Å; Y72-F81 WeakPolarHBondContact CB-O 3.49Å; Y72-F81 WeakPolarHBondContact CD2-O 3.18Å; Y72-F81 PolarHBondContact N-O 3.29Å; Y72-F81 VanDerWaalsContact N-O 3.1Å; Y72-F81 PolarHBondContact O-N 3.39Å; T79-F81 HydrophobicContact CG2-CE1 4.24Å; T79-F81 HydrophobicContact CG2-CE2 3.76Å; T79-F81 HydrophobicContact CG2-CZ 3.51Å; T79-F81 WeakPolarHBondContact O-CD2 3.36Å; T79-F81 VanDerWaalsContact O-CE2 3.25Å; T79-F81 WeakPolarHBondContact O-CE2 3.42Å; F81-R83 VanDerWaalsContact C-N 3.28Å; F81-R83 PolarHBondContact O-N 3.32Å; F81-H86 HydrophobicContact CB-CB 4.12Å; F81-H86 HydrophobicContact CD1-CB 3.77Å; F81-H86 HydrophobicContact CG-CB 4.13Å; F81-L87 HydrophobicContact CB-CB 4.46Å; F81-L87 HydrophobicContact CD2-CB 3.86Å; F81-L87 HydrophobicContact CD2-CD1 3.93Å; F81-L87 HydrophobicContact CE2-CD1 4.05Å; F81-L87 HydrophobicContact CG-CB 4.38Å; F81-H90 HydrophobicContact CE1-CB 4.19Å; F81-H90 HydrophobicContact CE2-CB 3.79Å; F81-H90 AromaticContact CE2-CD2 3.52Å; F81-H90 AromaticContact CE2-CG 3.63Å; F81-H90 HydrophobicContact CZ-CB 3.44Å; F81-H90 VanDerWaalsContact CZ-CB 3.44Å; F81-H90 AromaticContact CZ-CD2 3.69Å; F81-H90 AromaticContact CZ-CG 3.32Å; F81-H90 AromaticContact CZ-ND1 3.76Å
82A80.9Confident77.8Confident30 Ų3063.4 Ų63.425%0.24834%0.336CS..SBendtrans-76.7-13.9175.400000113.6E69 K70E69-A82 WeakPolarHBondContact O-CB 3.44Å; K70-A82 HydrophobicContact CG-CB 4.41Å
83R76.7Confident77.6Confident129 Ų12965 Ų6549%0.48735%0.352SS..SBendtrans-134.5132.3-176-61.2-177.5-176.6177.7-0111.1F81 G85 H86 L87F81-R83 VanDerWaalsContact C-N 3.28Å; F81-R83 PolarHBondContact O-N 3.32Å; R83-G85 PolarHBondContact O-N 3.46Å; R83-H86 WeakPolarHBondContact O-CB 3.35Å; R83-H86 PolarHBondContact O-N 3.03Å; R83-L87 PolarHBondContact O-N 3.01Å
84H72.1Confident77.3Confident33 Ų3363.3 Ų63.315%0.15334%0.344CS..Hα-helixtrans-55-46178.7178.3-118000112.9E35 Y72 H86 L87 Q88E35-H84 IonicContact OE2-ND1 3.34Å; Y72-H84 HydrophobicContact CD1-CB 4.03Å; Y72-H84 HydrophobicContact CD2-CB 4.41Å; Y72-H84 HydrophobicContact CE1-CB 3.8Å; Y72-H84 HydrophobicContact CE2-CB 4.16Å; Y72-H84 VanDerWaalsContact CE2-N 3.26Å; Y72-H84 HydrophobicContact CG-CB 4.34Å; H84-H86 PolarHBondContact O-N 3.38Å; H84-H86 VanDerWaalsContact O-N 3.12Å; H84-L87 WeakPolarHBondContact O-CA 3.49Å; H84-L87 WeakPolarHBondContact O-CB 3.32Å; H84-L87 PolarHBondContact O-N 3.2Å; H84-Q88 WeakPolarHBondContact NE2-CG 3.34Å; H84-Q88 PolarHBondContact NE2-NE2 2.91Å; H84-Q88 PolarHBondContact O-N 3.38Å
85G71.1Confident76.6Confident47 Ų4767.2 Ų67.249%0.48537%0.368SS..Hα-helixtrans-61.3-23.3177.700000114.5R83 R89R83-G85 PolarHBondContact O-N 3.46Å; G85-R89 WeakPolarHBondContact O-CB 3.38Å; G85-R89 PolarHBondContact O-N 3.44Å
86H76.6Confident75.8Confident70 Ų7063 Ų6332%0.32436%0.36SS..Hα-helixtrans-75.7-40172.1-66.1179.5000111.6F81 R83 H84 H90F81-H86 HydrophobicContact CB-CB 4.12Å; F81-H86 HydrophobicContact CD1-CB 3.77Å; F81-H86 HydrophobicContact CG-CB 4.13Å; R83-H86 WeakPolarHBondContact O-CB 3.35Å; R83-H86 PolarHBondContact O-N 3.03Å; H84-H86 PolarHBondContact O-N 3.38Å; H84-H86 VanDerWaalsContact O-N 3.12Å; H86-H90 WeakPolarHBondContact O-CB 3.49Å; H86-H90 PolarHBondContact O-N 3.39Å
87L77Confident75.1Confident9 Ų962.7 Ų62.75%0.04736%0.359CS..Hα-helixtrans-62.1-48.7174.4171.362.7000111.2E73 C74 F81 R83 H84 R89 H90 K91E73-L87 WeakPolarHBondContact O-CD2 3.47Å; C74-L87 HydrophobicContact CB-CD1 3.69Å; F81-L87 HydrophobicContact CB-CB 4.46Å; F81-L87 HydrophobicContact CD2-CB 3.86Å; F81-L87 HydrophobicContact CD2-CD1 3.93Å; F81-L87 HydrophobicContact CE2-CD1 4.05Å; F81-L87 HydrophobicContact CG-CB 4.38Å; R83-L87 PolarHBondContact O-N 3.01Å; H84-L87 WeakPolarHBondContact O-CA 3.49Å; H84-L87 WeakPolarHBondContact O-CB 3.32Å; H84-L87 PolarHBondContact O-N 3.2Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.98Å; L87-H90 CarbonylContact O-C 3.32Å; L87-H90 WeakPolarHBondContact O-CA 3.07Å; L87-H90 WeakPolarHBondContact O-CB 3.5Å; L87-H90 PolarHBondContact O-N 3.44Å; L87-K91 HydrophobicContact CD1-CG 4.25Å; L87-K91 WeakPolarHBondContact O-CG 3.3Å; L87-K91 PolarHBondContact O-N 2.66Å
88Q71.8Confident73.6Confident86 Ų8668.7 Ų68.740%0.40238%0.378SS..Hα-helixtrans-59.6-42.8-179.5-69-60.8-18.100112H84 H90 K91 G92H84-Q88 WeakPolarHBondContact NE2-CG 3.34Å; H84-Q88 PolarHBondContact NE2-NE2 2.91Å; H84-Q88 PolarHBondContact O-N 3.38Å; Q88-H90 VanDerWaalsContact C-N 3.33Å; Q88-H90 PolarHBondContact O-N 3.28Å; Q88-K91 WeakPolarHBondContact O-CB 3.45Å; Q88-K91 PolarHBondContact O-N 3.33Å; Q88-G92 PolarHBondContact O-N 3.04Å
89R71.5Confident73.2Confident103 Ų10369.7 Ų69.739%0.38937%0.373SS..Hα-helixtrans-63.9-37.7173.9-176.9176.674.6174-12.6113.3G85 L87 G92G85-R89 WeakPolarHBondContact O-CB 3.38Å; G85-R89 PolarHBondContact O-N 3.44Å; L87-R89 VanDerWaalsContact C-N 3.3Å; L87-R89 PolarHBondContact O-N 2.98Å; R89-G92 PolarHBondContact O-N 2.99Å
90H77.8Confident72.9Confident34 Ų3472.4 Ų72.416%0.15738%0.378CS..Hα-helixtrans-68.2-37.3175.1168.775.6000111.6C77 F81 H86 L87 Q88 G92 T93 H94C77-H90 PolarHBondContact SG-NE2 2.95Å; F81-H90 HydrophobicContact CE1-CB 4.19Å; F81-H90 HydrophobicContact CE2-CB 3.79Å; F81-H90 AromaticContact CE2-CD2 3.52Å; F81-H90 AromaticContact CE2-CG 3.63Å; F81-H90 HydrophobicContact CZ-CB 3.44Å; F81-H90 VanDerWaalsContact CZ-CB 3.44Å; F81-H90 AromaticContact CZ-CD2 3.69Å; F81-H90 AromaticContact CZ-CG 3.32Å; F81-H90 AromaticContact CZ-ND1 3.76Å; H86-H90 WeakPolarHBondContact O-CB 3.49Å; H86-H90 PolarHBondContact O-N 3.39Å; L87-H90 CarbonylContact O-C 3.32Å; L87-H90 WeakPolarHBondContact O-CA 3.07Å; L87-H90 WeakPolarHBondContact O-CB 3.5Å; L87-H90 PolarHBondContact O-N 3.44Å; Q88-H90 VanDerWaalsContact C-N 3.33Å; Q88-H90 PolarHBondContact O-N 3.28Å; H90-G92 PolarHBondContact O-N 3.02Å; H90-T93 WeakPolarHBondContact O-CB 3.34Å; H90-T93 PolarHBondContact O-N 3.01Å; H90-T93 PolarHBondContact O-OG1 3.39Å; H90-H94 AromaticContact CD2-NE2 3.77Å; H90-H94 AromaticContact CE1-CE1 3.86Å; H90-H94 AromaticContact CE1-NE2 3.47Å; H90-H94 PolarHBondContact CE1-NE2 3.01Å; H90-H94 AromaticContact NE2-CD2 3.97Å; H90-H94 AromaticContact NE2-CE1 3.83Å; H90-H94 AromaticContact NE2-NE2 3.03Å; H90-H94 PolarHBondContact NE2-NE2 3.06Å
91K74.1Confident72.8Confident76 Ų7674.5 Ų74.533%0.3338%0.382SS..Hα-helixtrans-57.4-36.1173-71.7178.7175.61800112.1L87 Q88 T93 H94 T95L87-K91 HydrophobicContact CD1-CG 4.25Å; L87-K91 WeakPolarHBondContact O-CG 3.3Å; L87-K91 PolarHBondContact O-N 2.66Å; Q88-K91 WeakPolarHBondContact O-CB 3.45Å; Q88-K91 PolarHBondContact O-N 3.33Å; K91-T93 PolarHBondContact O-N 3.35Å; K91-T93 VanDerWaalsContact O-N 3.16Å; K91-H94 WeakPolarHBondContact O-CB 3.45Å; K91-H94 PolarHBondContact O-N 3.15Å; K91-T95 PolarHBondContact O-N 3.44Å
92G71.8Confident73.1Confident15 Ų1572.8 Ų72.816%0.15537%0.374CS..Hα-helixtrans-60.9-19.4173.300000114.9Q88 R89 H90 H94 G96Q88-G92 PolarHBondContact O-N 3.04Å; R89-G92 PolarHBondContact O-N 2.99Å; H90-G92 PolarHBondContact O-N 3.02Å; G92-H94 VanDerWaalsContact C-N 3.31Å; G92-G96 PolarHBondContact O-N 3.49Å
93T74.4Confident73.6Confident93 Ų9378.4 Ų78.457%0.57140%0.4SS*.Hα-helixtrans-76.7-20.417369.20000112.9H90 K91H90-T93 WeakPolarHBondContact O-CB 3.34Å; H90-T93 PolarHBondContact O-N 3.01Å; H90-T93 PolarHBondContact O-OG1 3.39Å; K91-T93 PolarHBondContact O-N 3.35Å; K91-T93 VanDerWaalsContact O-N 3.16Å
94H73.6Confident74.3Confident73 Ų7380.9 Ų80.934%0.33841%0.41SS..Hα-helixtrans-88.7-40.5178.5-60.1-49000112C74 H76 C77 H90 K91 G92C74-H94 PolarHBondContact SG-NE2 3.1Å; H76-H94 AromaticContact CD2-CD2 3.88Å; H76-H94 AromaticContact CD2-CE1 3.8Å; H76-H94 AromaticContact CD2-CG 3.56Å; H76-H94 AromaticContact CD2-ND1 3.53Å; C77-H94 PolarHBondContact SG-NE2 3.43Å; H90-H94 AromaticContact CD2-NE2 3.77Å; H90-H94 AromaticContact CE1-CE1 3.86Å; H90-H94 AromaticContact CE1-NE2 3.47Å; H90-H94 PolarHBondContact CE1-NE2 3.01Å; H90-H94 AromaticContact NE2-CD2 3.97Å; H90-H94 AromaticContact NE2-CE1 3.83Å; H90-H94 AromaticContact NE2-NE2 3.03Å; H90-H94 PolarHBondContact NE2-NE2 3.06Å; K91-H94 WeakPolarHBondContact O-CB 3.45Å; K91-H94 PolarHBondContact O-N 3.15Å; G92-H94 VanDerWaalsContact C-N 3.31Å
95T66.8Low75.3Confident83 Ų8382.1 Ų82.151%0.50942%0.421SS..Hα-helixtrans-81.1-17.6-176.460.10000113.2K91 E97K91-T95 PolarHBondContact O-N 3.44Å; T95-E97 PolarHBondContact O-N 3Å; T95-E97 VanDerWaalsContact O-N 3.11Å; T95-E97 WeakPolarHBondContact OG1-CB 3.44Å; T95-E97 WeakPolarHBondContact OG1-CG 3.26Å; T95-E97 PolarHBondContact OG1-N 3.13Å; T95-E97 PolarHBondContact OG1-OE2 3.49Å
96G62.7Low76Confident63 Ų6381.7 Ų81.765%0.64942%0.417SS*.  trans63.810.1-172.400000113.2G92 K98G92-G96 PolarHBondContact O-N 3.49Å; G96-K98 PolarHBondContact O-N 2.94Å
97E59.7Low76.4Confident141 Ų14184.6 Ų84.666%0.65943%0.429SS*.  trans-60.6127.6177.5-77.4173.4136.400109.5T95 L99T95-E97 PolarHBondContact O-N 3Å; T95-E97 VanDerWaalsContact O-N 3.11Å; T95-E97 WeakPolarHBondContact OG1-CB 3.44Å; T95-E97 WeakPolarHBondContact OG1-CG 3.26Å; T95-E97 PolarHBondContact OG1-N 3.13Å; T95-E97 PolarHBondContact OG1-OE2 3.49Å; E97-L99 PolarHBondContact O-N 2.88Å
98K54.8Low76.6Confident184 Ų18488 Ų8880%0.845%0.45SS*.  trans-33.2104.6-167.2-91.9-179.3168.4-175.30113.7G96G96-K98 PolarHBondContact O-N 2.94Å
99L74.6Confident76.9Confident61 Ų6185.9 Ų85.932%0.31944%0.439SS..  trans-58.6156.4159.2-68.1-177.4000109.9E97 E101 V108 F109 A110E97-L99 PolarHBondContact O-N 2.88Å; L99-E101 PolarHBondContact O-N 3.3Å; L99-V108 HydrophobicContact CB-CG1 3.24Å; L99-V108 HydrophobicContact CD1-CG1 4.28Å; L99-V108 HydrophobicContact CG-CG1 4.33Å; L99-F109 WeakPolarHBondContact CB-O 3.35Å; L99-A110 HydrophobicContact CD1-CB 4.45Å
100Y76.8Confident77Confident119 Ų11983 Ų8347%0.46744%0.438SS..EExtended strand (participates in β ladder)trans-60.8108.6-171.7-61.9-85000111.9F109 W111 N112Y100-F109 PolarHBondContact N-O 2.94Å; Y100-F109 PolarHBondContact O-N 2.93Å; Y100-W111 VanDerWaalsContact CD2-C 3.48Å; Y100-N112 HydrophobicContact CD1-CB 3.92Å; Y100-N112 HydrophobicContact CD2-CB 4.11Å; Y100-N112 HydrophobicContact CE1-CB 3.72Å; Y100-N112 HydrophobicContact CE2-CB 3.9Å; Y100-N112 VanDerWaalsContact CE2-N 3.3Å; Y100-N112 HydrophobicContact CG-CB 4.11Å
101E82.9Confident76.7Confident77 Ų7786.1 Ų86.136%0.3645%0.449SS..EExtended strand (participates in β ladder)trans-88.2142.3-177.3-170.5-179.8163.500112.7L99 K107 V108 L115L99-E101 PolarHBondContact O-N 3.3Å; E101-K107 CarbonylContact C-O 3.58Å; E101-V108 HydrophobicContact CB-CG2 4.29Å; E101-V108 HydrophobicContact CG-CG2 4.1Å; E101-L115 WeakPolarHBondContact O-CD2 3.49Å
102C87.9Confident76.9Confident2 Ų286.5 Ų86.51%0.01445%0.454CS..  trans-87.6106.3171.6-172.90000111R104 C105 G106 K107 F109 L115 H118C102-R104 PolarHBondContact O-N 3.4Å; C102-C105 PolarHBondContact O-N 3.48Å; C102-G106 WeakPolarHBondContact O-CA 3.49Å; C102-G106 PolarHBondContact O-N 2.88Å; C102-K107 WeakPolarHBondContact CB-O 3.27Å; C102-K107 PolarHBondContact N-O 2.96Å; C102-F109 HydrophobicContact CB-CE2 4.34Å; C102-L115 HydrophobicContact CB-CD1 3.57Å; C102-H118 PolarHBondContact SG-NE2 2.72Å; C102-H118 VanDerWaalsContact SG-NE2 3.43Å
103N90.3Very high77.2Confident148 Ų14888.1 Ų88.179%0.79146%0.463SS*.THydrogen-bonded Turntrans-56.6-16.5179.3-58.2-3.9000115
104R91.3Very high77.6Confident181 Ų18187.4 Ų87.468%0.68345%0.453SS*.THydrogen-bonded Turntrans-86.8-30.5178.1-176.7168.4173.7178.5-4.5113.6C102 H122C102-R104 PolarHBondContact O-N 3.4Å; R104-H122 PolarHBondContact NH1-O 3.17Å
105C93Very high78.2Confident59 Ų5984.5 Ų84.540%0.39944%0.44SS..THydrogen-bonded Turntrans-138.15.2-173.369.10000115C102 K107 H118 H122C102-C105 PolarHBondContact O-N 3.48Å; C105-K107 PolarHBondContact O-N 3.34Å; C105-H118 PolarHBondContact SG-NE2 3.45Å; C105-H122 PolarHBondContact SG-NE2 2.93Å; C105-H122 VanDerWaalsContact SG-NE2 3.39Å
106G86.8Confident79.2Confident39 Ų3987.7 Ų87.740%0.40244%0.442SS..  trans68.11.2179.700000114.8C102 V108C102-G106 WeakPolarHBondContact O-CA 3.49Å; C102-G106 PolarHBondContact O-N 2.88Å; G106-V108 PolarHBondContact O-N 3.34Å
107K85.2Confident80.5Confident131 Ų13186.7 Ų86.757%0.5742%0.422SS*.  trans-66.6133.2177.7-84-171.4177.3-1790110.9E101 C102 C105 F109E101-K107 CarbonylContact C-O 3.58Å; C102-K107 WeakPolarHBondContact CB-O 3.27Å; C102-K107 PolarHBondContact N-O 2.96Å; C105-K107 PolarHBondContact O-N 3.34Å; K107-F109 HydrophobicContact CB-CE2 3.71Å; K107-F109 HydrophobicContact CB-CZ 4Å; K107-F109 WeakPolarHBondContact O-CE2 3.41Å
108V80.9Confident82.1Confident81 Ų8181 Ų8149%0.49140%0.395SS..EExtended strand (participates in β ladder)trans-103.9135.7-177177.90000110L99 E101 G106L99-V108 HydrophobicContact CB-CG1 3.24Å; L99-V108 HydrophobicContact CD1-CG1 4.28Å; L99-V108 HydrophobicContact CG-CG1 4.33Å; E101-V108 HydrophobicContact CB-CG2 4.29Å; E101-V108 HydrophobicContact CG-CG2 4.1Å; G106-V108 PolarHBondContact O-N 3.34Å
109F78.6Confident83.9Confident40 Ų4077.2 Ų77.218%0.17538%0.378CS..EExtended strand (participates in β ladder)trans-125134.9-176.9-64.4-90.6000111.8L99 Y100 C102 K107 W111 H114 L115 H118L99-F109 WeakPolarHBondContact CB-O 3.35Å; Y100-F109 PolarHBondContact N-O 2.94Å; Y100-F109 PolarHBondContact O-N 2.93Å; C102-F109 HydrophobicContact CB-CE2 4.34Å; K107-F109 HydrophobicContact CB-CE2 3.71Å; K107-F109 HydrophobicContact CB-CZ 4Å; K107-F109 WeakPolarHBondContact O-CE2 3.41Å; F109-W111 PolarHBondContact O-N 2.96Å; F109-W111 VanDerWaalsContact O-N 3.15Å; F109-H114 HydrophobicContact CB-CB 4.24Å; F109-H114 HydrophobicContact CD1-CB 3.89Å; F109-H114 HydrophobicContact CG-CB 4.38Å; F109-L115 HydrophobicContact CB-CB 4.17Å; F109-L115 HydrophobicContact CD2-CB 3.96Å; F109-L115 HydrophobicContact CD2-CD1 3.73Å; F109-L115 HydrophobicContact CD2-CG 4.45Å; F109-L115 HydrophobicContact CE2-CD1 3.99Å; F109-L115 HydrophobicContact CG-CB 4.19Å; F109-H118 HydrophobicContact CE1-CB 3.72Å; F109-H118 AromaticContact CE1-CG 3.98Å; F109-H118 HydrophobicContact CE2-CB 3.85Å; F109-H118 AromaticContact CE2-CD2 3.19Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.37Å; F109-H118 AromaticContact CE2-CG 3.53Å; F109-H118 AromaticContact CE2-NE2 3.86Å; F109-H118 HydrophobicContact CZ-CB 3.33Å; F109-H118 AromaticContact CZ-CD2 3.29Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H118 AromaticContact CZ-CG 3.1Å; F109-H118 AromaticContact CZ-ND1 3.66Å; F109-H118 AromaticContact CZ-NE2 3.89Å
110A72.8Confident84.8Confident44 Ų4475.8 Ų75.836%0.36437%0.369SS..SBendtrans-54.7-36.8175.400000112.9L99L99-A110 HydrophobicContact CD1-CB 4.45Å
111W72.6Confident85.6Confident99 Ų9974 Ų7438%0.37537%0.37SS..SBendtrans-127.5139.8-171.8-52.5-24.9000112.3Y100 F109 C113 H114 L115Y100-W111 VanDerWaalsContact CD2-C 3.48Å; F109-W111 PolarHBondContact O-N 2.96Å; F109-W111 VanDerWaalsContact O-N 3.15Å; W111-C113 VanDerWaalsContact C-N 3.27Å; W111-C113 PolarHBondContact O-N 2.9Å; W111-H114 HydrophobicContact CB-CB 4.47Å; W111-H114 AromaticContact CD2-CE1 3.85Å; W111-H114 AromaticContact CE3-CD2 3.97Å; W111-H114 AromaticContact CE3-CE1 2.97Å; W111-H114 AromaticContact CE3-ND1 3.53Å; W111-H114 AromaticContact CE3-NE2 3.26Å; W111-H114 VanDerWaalsContact CE3-NE2 3.26Å; W111-H114 AromaticContact CZ3-CE1 3.22Å; W111-H114 WeakPolarHBondContact CZ3-CE1 3.1Å; W111-H114 AromaticContact CZ3-NE2 3.55Å; W111-H114 WeakPolarHBondContact O-CA 3.27Å; W111-H114 WeakPolarHBondContact O-CB 3.01Å; W111-H114 PolarHBondContact O-N 3.44Å; W111-L115 PolarHBondContact O-N 3.43Å; W111-L115 VanDerWaalsContact O-N 3.09Å
112N76.9Confident86.2Confident83 Ų8372.7 Ų72.744%0.44436%0.364SS..Hα-helixtrans-57.3-39.7178-177.8-87.6000112.5Y100 H114 L115 R116Y100-N112 HydrophobicContact CD1-CB 3.92Å; Y100-N112 HydrophobicContact CD2-CB 4.11Å; Y100-N112 HydrophobicContact CE1-CB 3.72Å; Y100-N112 HydrophobicContact CE2-CB 3.9Å; Y100-N112 VanDerWaalsContact CE2-N 3.3Å; Y100-N112 HydrophobicContact CG-CB 4.11Å; N112-H114 PolarHBondContact O-N 3.37Å; N112-L115 PolarHBondContact O-N 3.32Å; N112-R116 PolarHBondContact O-N 2.96Å
113C78.8Confident86.4Confident50 Ų5076.4 Ų76.434%0.33839%0.39SS..Hα-helixtrans-60.6-34.6177610000112.2W111 I117W111-C113 VanDerWaalsContact C-N 3.27Å; W111-C113 PolarHBondContact O-N 2.9Å; C113-I117 WeakPolarHBondContact O-CD1 2.77Å; C113-I117 VanDerWaalsContact O-CG1 3.25Å; C113-I117 WeakPolarHBondContact O-CG1 3.35Å; C113-I117 PolarHBondContact O-N 3.13Å
114H83.3Confident86.6Confident78 Ų7871.9 Ų71.936%0.36138%0.378SS..Hα-helixtrans-71.7-43.2175-68178.3000111.6F109 W111 N112 R116 I117 H118F109-H114 HydrophobicContact CB-CB 4.24Å; F109-H114 HydrophobicContact CD1-CB 3.89Å; F109-H114 HydrophobicContact CG-CB 4.38Å; W111-H114 HydrophobicContact CB-CB 4.47Å; W111-H114 AromaticContact CD2-CE1 3.85Å; W111-H114 AromaticContact CE3-CD2 3.97Å; W111-H114 AromaticContact CE3-CE1 2.97Å; W111-H114 AromaticContact CE3-ND1 3.53Å; W111-H114 AromaticContact CE3-NE2 3.26Å; W111-H114 VanDerWaalsContact CE3-NE2 3.26Å; W111-H114 AromaticContact CZ3-CE1 3.22Å; W111-H114 WeakPolarHBondContact CZ3-CE1 3.1Å; W111-H114 AromaticContact CZ3-NE2 3.55Å; W111-H114 WeakPolarHBondContact O-CA 3.27Å; W111-H114 WeakPolarHBondContact O-CB 3.01Å; W111-H114 PolarHBondContact O-N 3.44Å; N112-H114 PolarHBondContact O-N 3.37Å; H114-R116 VanDerWaalsContact C-N 3.3Å; H114-R116 PolarHBondContact O-N 3.2Å; H114-I117 PolarHBondContact O-N 2.9Å; H114-H118 VanDerWaalsContact O-CB 3.31Å; H114-H118 WeakPolarHBondContact O-CB 3.07Å; H114-H118 PolarHBondContact O-N 2.99Å
115L86.2Confident86.7Confident12 Ų1267.6 Ų67.66%0.06337%0.366CS..Hα-helixtrans-57.4-45.1172.3173.161.5000111E101 C102 F109 W111 N112 H118 K119E101-L115 WeakPolarHBondContact O-CD2 3.49Å; C102-L115 HydrophobicContact CB-CD1 3.57Å; F109-L115 HydrophobicContact CB-CB 4.17Å; F109-L115 HydrophobicContact CD2-CB 3.96Å; F109-L115 HydrophobicContact CD2-CD1 3.73Å; F109-L115 HydrophobicContact CD2-CG 4.45Å; F109-L115 HydrophobicContact CE2-CD1 3.99Å; F109-L115 HydrophobicContact CG-CB 4.19Å; W111-L115 PolarHBondContact O-N 3.43Å; W111-L115 VanDerWaalsContact O-N 3.09Å; N112-L115 PolarHBondContact O-N 3.32Å; L115-H118 CarbonylContact O-C 3.55Å; L115-H118 WeakPolarHBondContact O-CB 3.24Å; L115-H118 PolarHBondContact O-N 2.96Å; L115-K119 HydrophobicContact CD1-CG 4.29Å; L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 2.89Å
116R87.5Confident86.8Confident149 Ų14970.9 Ų70.956%0.56237%0.374SS*.Hα-helixtrans-61-46.4178-178.3176.457.2169.4-3.7112.2N112 H114 H118 K119 R120N112-R116 PolarHBondContact O-N 2.96Å; H114-R116 VanDerWaalsContact C-N 3.3Å; H114-R116 PolarHBondContact O-N 3.2Å; R116-H118 VanDerWaalsContact C-N 3.28Å; R116-H118 PolarHBondContact O-N 3.46Å; R116-K119 PolarHBondContact O-N 3.14Å; R116-R120 PolarHBondContact O-N 3.27Å
117I90.3Very high87.2Confident43 Ų4372.2 Ų72.222%0.22138%0.375CS..Hα-helixtrans-62.8-38.4175-68.5163000110.6C113 H114 R120C113-I117 WeakPolarHBondContact O-CD1 2.77Å; C113-I117 VanDerWaalsContact O-CG1 3.25Å; C113-I117 WeakPolarHBondContact O-CG1 3.35Å; C113-I117 PolarHBondContact O-N 3.13Å; H114-I117 PolarHBondContact O-N 2.9Å; I117-R120 VanDerWaalsContact O-CB 3.3Å; I117-R120 WeakPolarHBondContact O-CB 3.32Å; I117-R120 PolarHBondContact O-N 3.29Å
118H92Very high87.7Confident22 Ų2269.6 Ų69.610%0.10236%0.362CS..Hα-helixtrans-65.9-39.7176166.664.7000112.3C102 C105 F109 H114 L115 R116 R120 T121 H122C102-H118 PolarHBondContact SG-NE2 2.72Å; C102-H118 VanDerWaalsContact SG-NE2 3.43Å; C105-H118 PolarHBondContact SG-NE2 3.45Å; F109-H118 HydrophobicContact CE1-CB 3.72Å; F109-H118 AromaticContact CE1-CG 3.98Å; F109-H118 HydrophobicContact CE2-CB 3.85Å; F109-H118 AromaticContact CE2-CD2 3.19Å; F109-H118 WeakPolarHBondContact CE2-CD2 3.37Å; F109-H118 AromaticContact CE2-CG 3.53Å; F109-H118 AromaticContact CE2-NE2 3.86Å; F109-H118 HydrophobicContact CZ-CB 3.33Å; F109-H118 AromaticContact CZ-CD2 3.29Å; F109-H118 WeakPolarHBondContact CZ-CD2 3.47Å; F109-H118 AromaticContact CZ-CG 3.1Å; F109-H118 AromaticContact CZ-ND1 3.66Å; F109-H118 AromaticContact CZ-NE2 3.89Å; H114-H118 VanDerWaalsContact O-CB 3.31Å; H114-H118 WeakPolarHBondContact O-CB 3.07Å; H114-H118 PolarHBondContact O-N 2.99Å; L115-H118 CarbonylContact O-C 3.55Å; L115-H118 WeakPolarHBondContact O-CB 3.24Å; L115-H118 PolarHBondContact O-N 2.96Å; R116-H118 VanDerWaalsContact C-N 3.28Å; R116-H118 PolarHBondContact O-N 3.46Å; H118-R120 PolarHBondContact O-N 3.46Å; H118-R120 VanDerWaalsContact O-N 3.08Å; H118-T121 PolarHBondContact ND1-OG1 3.05Å; H118-T121 WeakPolarHBondContact O-CB 3.22Å; H118-T121 PolarHBondContact O-N 2.91Å; H118-T121 PolarHBondContact O-OG1 2.82Å; H118-H122 AromaticContact CE1-NE2 3.48Å; H118-H122 PolarHBondContact CE1-NE2 3.36Å; H118-H122 AromaticContact NE2-CD2 3.88Å; H118-H122 AromaticContact NE2-NE2 3.2Å; H118-H122 PolarHBondContact NE2-NE2 2.9Å
119K92.8Very high88.5Confident103 Ų10371.9 Ų71.945%0.44837%0.367SS..Hα-helixtrans-56-29174.6-74.6-179177.7-174.60112.2L115 R116 T121 H122 S123L115-K119 HydrophobicContact CD1-CG 4.29Å; L115-K119 WeakPolarHBondContact O-CG 3.34Å; L115-K119 PolarHBondContact O-N 2.89Å; R116-K119 PolarHBondContact O-N 3.14Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 3.04Å; K119-H122 VanDerWaalsContact O-CB 3.31Å; K119-H122 WeakPolarHBondContact O-CB 3.46Å; K119-H122 PolarHBondContact O-N 3.18Å; K119-S123 PolarHBondContact O-N 2.71Å
120R94.9Very high89.4Confident31 Ų3170 Ų7012%0.11736%0.359CS..Hα-helixtrans-66-23.2173-60.8-178.5170.3147.1-1.5114.3R116 I117 H118 H122 S123 G124 E125 A138R116-R120 PolarHBondContact O-N 3.27Å; I117-R120 VanDerWaalsContact O-CB 3.3Å; I117-R120 WeakPolarHBondContact O-CB 3.32Å; I117-R120 PolarHBondContact O-N 3.29Å; H118-R120 PolarHBondContact O-N 3.46Å; H118-R120 VanDerWaalsContact O-N 3.08Å; R120-H122 PolarHBondContact O-N 3.2Å; R120-S123 WeakPolarHBondContact CA-OG 3.37Å; R120-G124 WeakPolarHBondContact O-CA 3.3Å; R120-G124 PolarHBondContact O-N 3.24Å; R120-E125 HydrophobicContact CB-CB 4.3Å; R120-E125 WeakPolarHBondContact CB-O 3.49Å; R120-E125 HydrophobicContact CG-CB 4.12Å; R120-E125 IonicContact CZ-OE1 2.73Å; R120-E125 IonicContact NE-OE1 2.96Å; R120-E125 PolarHBondContact NE-OE1 3.24Å; R120-E125 IonicContact NE-OE2 3.75Å; R120-E125 IonicContact NH2-OE1 3.01Å; R120-E125 PolarHBondContact NH2-OE1 3.04Å; R120-E125 PolarHBondContact O-N 2.69Å; R120-A138 HydrophobicContact CB-CB 4.06Å; R120-A138 VanDerWaalsContact CD-O 3.28Å; R120-A138 WeakPolarHBondContact CD-O 3.25Å; R120-A138 PolarHBondContact NH1-O 3.05Å
121T93.8Very high90.5Very high81 Ų8173.5 Ų73.550%0.49737%0.372SS..Hα-helixtrans-70.3-17.8171.969.20000112.4H118 K119H118-T121 PolarHBondContact ND1-OG1 3.05Å; H118-T121 WeakPolarHBondContact O-CB 3.22Å; H118-T121 PolarHBondContact O-N 2.91Å; H118-T121 PolarHBondContact O-OG1 2.82Å; K119-T121 VanDerWaalsContact C-N 3.26Å; K119-T121 PolarHBondContact O-N 3.04Å
122H93.9Very high91.5Very high50 Ų5074.6 Ų74.623%0.23138%0.381CS..Hα-helixtrans-92.8-33.5176.8-67.4-47.6000113.1R104 C105 H118 K119 R120R104-H122 PolarHBondContact NH1-O 3.17Å; C105-H122 PolarHBondContact SG-NE2 2.93Å; C105-H122 VanDerWaalsContact SG-NE2 3.39Å; H118-H122 AromaticContact CE1-NE2 3.48Å; H118-H122 PolarHBondContact CE1-NE2 3.36Å; H118-H122 AromaticContact NE2-CD2 3.88Å; H118-H122 AromaticContact NE2-NE2 3.2Å; H118-H122 PolarHBondContact NE2-NE2 2.9Å; K119-H122 VanDerWaalsContact O-CB 3.31Å; K119-H122 WeakPolarHBondContact O-CB 3.46Å; K119-H122 PolarHBondContact O-N 3.18Å; R120-H122 PolarHBondContact O-N 3.2Å
123S93.4Very high92.5Very high81 Ų8173.3 Ų73.357%0.56638%0.378SS*.Hα-helixtrans-89.1-19.5176.961.70000113.7K119 R120 E125K119-S123 PolarHBondContact O-N 2.71Å; R120-S123 WeakPolarHBondContact CA-OG 3.37Å; S123-E125 PolarHBondContact O-N 3.24Å; S123-E125 WeakPolarHBondContact OG-CB 3.42Å; S123-E125 PolarHBondContact OG-N 2.88Å
124G92.8Very high93.2Very high52 Ų5272.9 Ų72.954%0.53638%0.382SS..  trans78.51.9-17200000114.2R120 K126R120-G124 WeakPolarHBondContact O-CA 3.3Å; R120-G124 PolarHBondContact O-N 3.24Å; G124-K126 PolarHBondContact O-N 2.93Å
125E95.3Very high93.9Very high92 Ų9272.1 Ų72.143%0.4338%0.383SS..  trans-60126.6-178.2-172.5-158.5138.300111.8R120 S123 P127R120-E125 HydrophobicContact CB-CB 4.3Å; R120-E125 WeakPolarHBondContact CB-O 3.49Å; R120-E125 HydrophobicContact CG-CB 4.12Å; R120-E125 IonicContact CZ-OE1 2.73Å; R120-E125 IonicContact NE-OE1 2.96Å; R120-E125 PolarHBondContact NE-OE1 3.24Å; R120-E125 IonicContact NE-OE2 3.75Å; R120-E125 IonicContact NH2-OE1 3.01Å; R120-E125 PolarHBondContact NH2-OE1 3.04Å; R120-E125 PolarHBondContact O-N 2.69Å; S123-E125 PolarHBondContact O-N 3.24Å; S123-E125 WeakPolarHBondContact OG-CB 3.42Å; S123-E125 PolarHBondContact OG-N 2.88Å; E125-P127 HydrophobicContact CG-CG 3.82Å; E125-P127 WeakPolarHBondContact OE1-CG 3.25Å
126K95.1Very high94.4Very high128 Ų12873 Ų7356%0.55739%0.392SS*.  trans-132.978.9179.6-71.3169.4170-169.60110.8G124 Y128 A136 F137G124-K126 PolarHBondContact O-N 2.93Å; K126-Y128 PolarHBondContact O-N 3.01Å; K126-A136 HydrophobicContact CB-CB 3.68Å; K126-A136 HydrophobicContact CD-CB 4.24Å; K126-A136 WeakPolarHBondContact CD-O 3.41Å; K126-F137 CarbonylContact C-O 3.57Å; K126-F137 WeakPolarHBondContact CA-O 2.98Å
127P93.8Very high94.7Very high66 Ų6667.6 Ų67.643%0.42937%0.373SS..  trans-73.2-11.3-171.9-19.734.3000115E125E125-P127 HydrophobicContact CG-CG 3.82Å; E125-P127 WeakPolarHBondContact OE1-CG 3.25Å
128Y96.1Very high94.9Very high77 Ų7766 Ų6630%0.30237%0.366SS..EExtended strand (participates in β ladder)trans-110.2101.4-170.9-54.8-77.7000109.6K126 A136 F137 S139 H140K126-Y128 PolarHBondContact O-N 3.01Å; Y128-A136 CarbonylContact O-C 3.34Å; Y128-A136 WeakPolarHBondContact O-CA 3.37Å; Y128-F137 WeakPolarHBondContact CD2-O 3.47Å; Y128-F137 PolarHBondContact N-O 3.35Å; Y128-F137 PolarHBondContact O-N 2.99Å; Y128-S139 VanDerWaalsContact CD2-CA 3.5Å; Y128-H140 HydrophobicContact CD1-CB 4.13Å; Y128-H140 HydrophobicContact CE1-CB 3.95Å
129E97.4Very high94.9Very high128 Ų12865.5 Ų65.560%0.59837%0.365SS*.EExtended strand (participates in β ladder)trans-95.2143.7-179.7-163.5174.9147.400111.8G134E129-G134 WeakPolarHBondContact OE1-CA 3.48Å
130C97.2Very high95Very high0 Ų065 Ų650%036%0.364CS..  trans-81.4116169.4-165.40000109.8Q132 C133 G134 T135 F137 L143C130-Q132 PolarHBondContact O-N 2.81Å; C130-C133 PolarHBondContact O-N 3.27Å; C130-G134 VanDerWaalsContact O-CA 3.3Å; C130-G134 WeakPolarHBondContact O-CA 3.4Å; C130-G134 PolarHBondContact O-N 3.49Å; C130-T135 WeakPolarHBondContact CB-O 3.13Å; C130-T135 PolarHBondContact N-O 3.17Å; C130-F137 HydrophobicContact CB-CE2 4.44Å; C130-L143 HydrophobicContact CB-CD1 3.72Å
131D95.7Very high94.8Very high118 Ų11868.4 Ų68.463%0.63139%0.391SS*.THydrogen-bonded Turntrans-53-33.3172.447.3-5.6000114.4K147D131-K147 WeakPolarHBondContact OD1-CE 3.18Å; D131-K147 IonicContact OD1-NZ 2.89Å; D131-K147 PolarHBondContact OD1-NZ 3.47Å; D131-K147 IonicContact OD2-NZ 2.86Å; D131-K147 PolarHBondContact OD2-NZ 2.7Å
132Q95.1Very high94.8Very high123 Ų12369.7 Ų69.758%0.57539%0.387SS*.THydrogen-bonded Turntrans-80.5-31.3-177.7-61.2-174.122.800115C130C130-Q132 PolarHBondContact O-N 2.81Å
133C96.6Very high94.9Very high56 Ų5667.9 Ų67.938%0.37838%0.379SS..THydrogen-bonded Turntrans-137.65.2-170.969.80000114.8C130 T135 H146 H150C130-C133 PolarHBondContact O-N 3.27Å; C133-T135 PolarHBondContact O-N 3.4Å; C133-T135 VanDerWaalsContact O-N 3.08Å; C133-T135 PolarHBondContact SG-OG1 3.21Å; C133-H146 PolarHBondContact SG-NE2 3.35Å; C133-H150 PolarHBondContact SG-NE2 3.15Å
134G95.1Very high95.1Very high41 Ų4167.9 Ų67.942%0.42337%0.37SS..  trans67.83.6-179.600000115.1E129 C130 A136E129-G134 WeakPolarHBondContact OE1-CA 3.48Å; C130-G134 VanDerWaalsContact O-CA 3.3Å; C130-G134 WeakPolarHBondContact O-CA 3.4Å; C130-G134 PolarHBondContact O-N 3.49Å; G134-A136 PolarHBondContact O-N 3.15Å
135T96.6Very high95.2Very high62 Ų6273.6 Ų73.638%0.3838%0.375SS..  trans-72122.2-177.9-60.20000110.3C130 C133 F137C130-T135 WeakPolarHBondContact CB-O 3.13Å; C130-T135 PolarHBondContact N-O 3.17Å; C133-T135 PolarHBondContact O-N 3.4Å; C133-T135 VanDerWaalsContact O-N 3.08Å; C133-T135 PolarHBondContact SG-OG1 3.21Å; T135-F137 HydrophobicContact CG2-CE1 4.2Å; T135-F137 HydrophobicContact CG2-CE2 3.72Å; T135-F137 HydrophobicContact CG2-CZ 3.48Å; T135-F137 VanDerWaalsContact CG2-CZ 3.48Å; T135-F137 WeakPolarHBondContact O-CD2 3.18Å; T135-F137 WeakPolarHBondContact O-CE2 3.21Å
136A96.6Very high95.2Very high30 Ų3070.9 Ų70.925%0.24836%0.362CS..EExtended strand (participates in β ladder)trans-96.5142.7-178.800000113.6K126 Y128 G134K126-A136 HydrophobicContact CB-CB 3.68Å; K126-A136 HydrophobicContact CD-CB 4.24Å; K126-A136 WeakPolarHBondContact CD-O 3.41Å; Y128-A136 CarbonylContact O-C 3.34Å; Y128-A136 WeakPolarHBondContact O-CA 3.37Å; G134-A136 PolarHBondContact O-N 3.15Å
137F95.4Very high95.3Very high36 Ų3667.6 Ų67.616%0.15835%0.348CS..EExtended strand (participates in β ladder)trans-127.5148.8-175.4-60-87.8000112.2K126 Y128 C130 T135 S139 R142 L143 H146K126-F137 CarbonylContact C-O 3.57Å; K126-F137 WeakPolarHBondContact CA-O 2.98Å; Y128-F137 WeakPolarHBondContact CD2-O 3.47Å; Y128-F137 PolarHBondContact N-O 3.35Å; Y128-F137 PolarHBondContact O-N 2.99Å; C130-F137 HydrophobicContact CB-CE2 4.44Å; T135-F137 HydrophobicContact CG2-CE1 4.2Å; T135-F137 HydrophobicContact CG2-CE2 3.72Å; T135-F137 HydrophobicContact CG2-CZ 3.48Å; T135-F137 VanDerWaalsContact CG2-CZ 3.48Å; T135-F137 WeakPolarHBondContact O-CD2 3.18Å; T135-F137 WeakPolarHBondContact O-CE2 3.21Å; F137-S139 VanDerWaalsContact C-N 3.3Å; F137-S139 PolarHBondContact O-N 3.47Å; F137-R142 HydrophobicContact CB-CB 4.23Å; F137-R142 HydrophobicContact CD1-CB 3.94Å; F137-R142 HydrophobicContact CG-CB 4.33Å; F137-L143 HydrophobicContact CB-CB 4.35Å; F137-L143 HydrophobicContact CD2-CB 3.87Å; F137-L143 HydrophobicContact CD2-CD1 3.81Å; F137-L143 HydrophobicContact CD2-CG 4.45Å; F137-L143 HydrophobicContact CE2-CD1 3.94Å; F137-L143 HydrophobicContact CG-CB 4.28Å; F137-H146 HydrophobicContact CE1-CB 3.95Å; F137-H146 HydrophobicContact CE2-CB 3.87Å; F137-H146 AromaticContact CE2-CD2 3.38Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.34Å; F137-H146 AromaticContact CE2-CG 3.68Å; F137-H146 HydrophobicContact CZ-CB 3.38Å; F137-H146 AromaticContact CZ-CD2 3.4Å; F137-H146 VanDerWaalsContact CZ-CD2 3.4Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H146 AromaticContact CZ-CG 3.22Å; F137-H146 AromaticContact CZ-ND1 3.77Å; F137-H146 AromaticContact CZ-NE2 3.98Å
138A93Very high95.4Very high10 Ų1073.4 Ų73.48%0.08336%0.361CS..SBendtrans-76.9-11.8176.900000114R120R120-A138 HydrophobicContact CB-CB 4.06Å; R120-A138 VanDerWaalsContact CD-O 3.28Å; R120-A138 WeakPolarHBondContact CD-O 3.25Å; R120-A138 PolarHBondContact NH1-O 3.05Å
139S93.2Very high95.4Very high10 Ų1074.3 Ų74.37%0.0738%0.375CS..SBendtrans-146.8146.7177.870.50000113.2Y128 F137 C141 R142 L143Y128-S139 VanDerWaalsContact CD2-CA 3.5Å; F137-S139 VanDerWaalsContact C-N 3.3Å; F137-S139 PolarHBondContact O-N 3.47Å; S139-C141 VanDerWaalsContact C-N 3.34Å; S139-C141 PolarHBondContact O-N 2.79Å; S139-R142 PolarHBondContact O-N 3.44Å; S139-R142 VanDerWaalsContact O-N 3.14Å; S139-R142 WeakPolarHBondContact OG-CD 3.22Å; S139-R142 VanDerWaalsContact OG-CG 3.32Å; S139-R142 WeakPolarHBondContact OG-CG 3.34Å; S139-L143 PolarHBondContact O-N 2.87Å
140H93.3Very high95.1Very high94 Ų9471.4 Ų71.444%0.43536%0.361SS..Hα-helixtrans-57.1-43.3178.1178.7-101.5000112.7Y128 R142 L143 Q144Y128-H140 HydrophobicContact CD1-CB 4.13Å; Y128-H140 HydrophobicContact CE1-CB 3.95Å; H140-R142 VanDerWaalsContact C-N 3.25Å; H140-R142 PolarHBondContact O-N 3.46Å; H140-L143 WeakPolarHBondContact O-CB 3.42Å; H140-L143 PolarHBondContact O-N 2.78Å; H140-L143 VanDerWaalsContact O-N 3.16Å; H140-Q144 WeakPolarHBondContact CE1-CG 3.26Å; H140-Q144 PolarHBondContact CE1-NE2 3.18Å; H140-Q144 PolarHBondContact NE2-NE2 3.13Å; H140-Q144 WeakPolarHBondContact O-CG 3.36Å; H140-Q144 PolarHBondContact O-N 3.47Å
141C91.7Very high94.2Very high101 Ų10179.6 Ų79.668%0.68241%0.412SS*.Hα-helixtrans-60.4-34.1178.8-58.10000112.9S139 R145S139-C141 VanDerWaalsContact C-N 3.34Å; S139-C141 PolarHBondContact O-N 2.79Å; C141-R145 PolarHBondContact O-N 3.44Å; C141-R145 VanDerWaalsContact O-N 3.1Å
142R94.3Very high94.1Very high108 Ų10877.7 Ų77.741%0.40840%0.401SS..Hα-helixtrans-70.3-42.6176.2-74.1176-178.5166.80.5111.3F137 S139 H140 R145 H146F137-R142 HydrophobicContact CB-CB 4.23Å; F137-R142 HydrophobicContact CD1-CB 3.94Å; F137-R142 HydrophobicContact CG-CB 4.33Å; S139-R142 PolarHBondContact O-N 3.44Å; S139-R142 VanDerWaalsContact O-N 3.14Å; S139-R142 WeakPolarHBondContact OG-CD 3.22Å; S139-R142 VanDerWaalsContact OG-CG 3.32Å; S139-R142 WeakPolarHBondContact OG-CG 3.34Å; H140-R142 VanDerWaalsContact C-N 3.25Å; H140-R142 PolarHBondContact O-N 3.46Å; R142-R145 PolarHBondContact O-N 3.31Å; R142-H146 WeakPolarHBondContact O-CB 3.42Å; R142-H146 PolarHBondContact O-N 3.47Å
143L96.1Very high94Very high13 Ų1375.3 Ų75.37%0.06839%0.392CS..Hα-helixtrans-58.1-49172.6171.462.4000111.1C130 F137 S139 H140 R145 H146 K147C130-L143 HydrophobicContact CB-CD1 3.72Å; F137-L143 HydrophobicContact CB-CB 4.35Å; F137-L143 HydrophobicContact CD2-CB 3.87Å; F137-L143 HydrophobicContact CD2-CD1 3.81Å; F137-L143 HydrophobicContact CD2-CG 4.45Å; F137-L143 HydrophobicContact CE2-CD1 3.94Å; F137-L143 HydrophobicContact CG-CB 4.28Å; S139-L143 PolarHBondContact O-N 2.87Å; H140-L143 WeakPolarHBondContact O-CB 3.42Å; H140-L143 PolarHBondContact O-N 2.78Å; H140-L143 VanDerWaalsContact O-N 3.16Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.32Å; L143-H146 CarbonylContact O-C 3.5Å; L143-H146 WeakPolarHBondContact O-CA 2.88Å; L143-H146 WeakPolarHBondContact O-CB 3.36Å; L143-H146 PolarHBondContact O-N 3.06Å; L143-K147 HydrophobicContact CD1-CG 4.15Å; L143-K147 PolarHBondContact O-N 3.15Å
144Q96Very high93.9Very high80 Ų8076.4 Ų76.437%0.37439%0.393SS..Hα-helixtrans-60.7-39.6-179.7-69.8-59.4-2600112.8H140 K147H140-Q144 WeakPolarHBondContact CE1-CG 3.26Å; H140-Q144 PolarHBondContact CE1-NE2 3.18Å; H140-Q144 PolarHBondContact NE2-NE2 3.13Å; H140-Q144 WeakPolarHBondContact O-CG 3.36Å; H140-Q144 PolarHBondContact O-N 3.47Å; Q144-K147 PolarHBondContact O-N 3.41Å
145R95.6Very high93.8Very high172 Ų17278.5 Ų78.565%0.64939%0.391SS*.Hα-helixtrans-65.4-41.3173.5-176.917663.8-176.93.9111.7C141 R142 L143 R148C141-R145 PolarHBondContact O-N 3.44Å; C141-R145 VanDerWaalsContact O-N 3.1Å; R142-R145 PolarHBondContact O-N 3.31Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.32Å; R145-R148 WeakPolarHBondContact O-CB 3.41Å; R145-R148 PolarHBondContact O-N 3.26Å
146H96.5Very high93.6Very high35 Ų3579.5 Ų79.516%0.16239%0.391CS..Hα-helixtrans-64.1-39.5176.6169.369.4000112.3C133 F137 R142 L143 R148 T149 H150C133-H146 PolarHBondContact SG-NE2 3.35Å; F137-H146 HydrophobicContact CE1-CB 3.95Å; F137-H146 HydrophobicContact CE2-CB 3.87Å; F137-H146 AromaticContact CE2-CD2 3.38Å; F137-H146 WeakPolarHBondContact CE2-CD2 3.34Å; F137-H146 AromaticContact CE2-CG 3.68Å; F137-H146 HydrophobicContact CZ-CB 3.38Å; F137-H146 AromaticContact CZ-CD2 3.4Å; F137-H146 VanDerWaalsContact CZ-CD2 3.4Å; F137-H146 WeakPolarHBondContact CZ-CD2 3.29Å; F137-H146 AromaticContact CZ-CG 3.22Å; F137-H146 AromaticContact CZ-ND1 3.77Å; F137-H146 AromaticContact CZ-NE2 3.98Å; R142-H146 WeakPolarHBondContact O-CB 3.42Å; R142-H146 PolarHBondContact O-N 3.47Å; L143-H146 CarbonylContact O-C 3.5Å; L143-H146 WeakPolarHBondContact O-CA 2.88Å; L143-H146 WeakPolarHBondContact O-CB 3.36Å; L143-H146 PolarHBondContact O-N 3.06Å; H146-R148 PolarHBondContact O-N 3.27Å; H146-T149 WeakPolarHBondContact O-CB 3.48Å; H146-T149 PolarHBondContact O-N 3.32Å; H146-T149 PolarHBondContact O-OG1 3.39Å; H146-H150 AromaticContact CD2-NE2 3.67Å; H146-H150 AromaticContact CE1-CE1 3.66Å; H146-H150 AromaticContact CE1-NE2 3.4Å; H146-H150 PolarHBondContact CE1-NE2 3.01Å; H146-H150 AromaticContact NE2-CE1 3.63Å; H146-H150 AromaticContact NE2-NE2 2.96Å; H146-H150 PolarHBondContact NE2-NE2 2.91Å
147K96.1Very high93.5Very high59 Ų5982.8 Ų82.826%0.25740%0.401SS..Hα-helixtrans-56-26.6177.2-75.2-167.8165.6-150.80113.3D131 L143 Q144 T149 H150D131-K147 WeakPolarHBondContact OD1-CE 3.18Å; D131-K147 IonicContact OD1-NZ 2.89Å; D131-K147 PolarHBondContact OD1-NZ 3.47Å; D131-K147 IonicContact OD2-NZ 2.86Å; D131-K147 PolarHBondContact OD2-NZ 2.7Å; L143-K147 HydrophobicContact CD1-CG 4.15Å; L143-K147 PolarHBondContact O-N 3.15Å; Q144-K147 PolarHBondContact O-N 3.41Å; K147-T149 PolarHBondContact O-N 3.26Å; K147-H150 PolarHBondContact O-N 3.24Å
148R95.8Very high93.3Very high188 Ų18886.1 Ų86.171%0.70942%0.418SS*.THydrogen-bonded Turntrans-73.3-8.2175.1-57.4176.7-176.2177.7-3.1114.3R145 H146 H150 T151R145-R148 WeakPolarHBondContact O-CB 3.41Å; R145-R148 PolarHBondContact O-N 3.26Å; H146-R148 PolarHBondContact O-N 3.27Å; R148-H150 VanDerWaalsContact C-N 3.31Å; R148-T151 PolarHBondContact O-OG1 2.77Å
149T96Very high93.3Very high96 Ų9692 Ų9259%0.58944%0.444SS*.THydrogen-bonded Turntrans-87.4-6.1173.7690000112.3H146 K147H146-T149 WeakPolarHBondContact O-CB 3.48Å; H146-T149 PolarHBondContact O-N 3.32Å; H146-T149 PolarHBondContact O-OG1 3.39Å; K147-T149 PolarHBondContact O-N 3.26Å
150H90.9Very high93.3Very high67 Ų6798.8 Ų98.831%0.3148%0.475SS..  trans-102.71.4178.7-55.9-54.5000113.6C133 H146 K147 R148C133-H150 PolarHBondContact SG-NE2 3.15Å; H146-H150 AromaticContact CD2-NE2 3.67Å; H146-H150 AromaticContact CE1-CE1 3.66Å; H146-H150 AromaticContact CE1-NE2 3.4Å; H146-H150 PolarHBondContact CE1-NE2 3.01Å; H146-H150 AromaticContact NE2-CE1 3.63Å; H146-H150 AromaticContact NE2-NE2 2.96Å; H146-H150 PolarHBondContact NE2-NE2 2.91Å; K147-H150 PolarHBondContact O-N 3.24Å; R148-H150 VanDerWaalsContact C-N 3.31Å
151T78Confident93.4Very high173 Ų17399.3 Ų99.3100%1.06148%0.479SS*.  trans-80.60164.949.50000109.6R148R148-T151 PolarHBondContact O-OG1 2.77Å

Retrieved 151 of 151 residues in 76.9 ms (Link to these results)

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