A0A044UMA2_ONCVO Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A044UMA2, Species ONCVO (Onchocerca volvulus), Gene n/a, Length 91 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
1M39.2Very low48.5Very low217 Ų217137.2 Ų137.2100%1.06966%0.662SS**  099.60-162.7161.7163.300107.3L3M1-L3 HydrophobicContact CE-CD1 3.42Å; M1-L3 VanDerWaalsContact CE-CD1 3.42Å; M1-L3 HydrophobicContact CG-CD1 3.96Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 HydrophobicContact SD-CD1 4.37Å
2K29.2Very low49.9Very low217 Ų217129.3 Ų129.394%0.94363%0.625SS**  trans-85.483178-80.2-178176.1178.80108.2
3L35.4Very low51.2Low112 Ų112119.6 Ų119.659%0.58658%0.578SS**  trans-98.3146.5161.9-72.9158.7000106M1M1-L3 HydrophobicContact CE-CD1 3.42Å; M1-L3 VanDerWaalsContact CE-CD1 3.42Å; M1-L3 HydrophobicContact CG-CD1 3.96Å; M1-L3 HydrophobicContact CG-CG 4.37Å; M1-L3 PolarHBondContact O-N 3.31Å; M1-L3 HydrophobicContact SD-CD1 4.37Å
4F39.9Very low52.4Low197 Ų197111.1 Ų111.186%0.86454%0.537SS*.  trans8462.8-172.3-43.2-69.2000115.7
5S39.4Very low53.5Low112 Ų112103.7 Ų103.778%0.78350%0.501SS*.  trans-129.713.7161.9-178.30000113.3
6N46.5Very low54.3Low148 Ų148104.2 Ų104.279%0.79150%0.496SS*.SBendtrans-109.4117.1165.8-81.2-17.4000107.1I8N6-I8 VanDerWaalsContact C-N 3.28Å; N6-I8 PolarHBondContact O-N 2.78Å
7K53.7Low55Low198 Ų19898.6 Ų98.686%0.86147%0.47SS*.  trans-56.197.7169-76.1-178.3177.3-1770107.2K9K7-K9 PolarHBondContact O-N 3.19Å; K7-K9 VanDerWaalsContact O-N 3.1Å
8I57.4Low55.5Low98 Ų9899.3 Ų99.350%0.50347%0.471SS..  trans-61.9114.3173.9-64.3-179.1000105.9N6 F64N6-I8 VanDerWaalsContact C-N 3.28Å; N6-I8 PolarHBondContact O-N 2.78Å; I8-F64 HydrophobicContact CB-CE1 4.33Å; I8-F64 HydrophobicContact CG2-CD1 3.39Å; I8-F64 HydrophobicContact CG2-CE1 2.87Å; I8-F64 HydrophobicContact CG2-CZ 3.61Å
9K62.8Low55.9Low127 Ų12795 Ų9555%0.55245%0.452SS*.  trans-89.7109.5178.6-68.7-177.2-177.9177.50107.6K7 P65K7-K9 PolarHBondContact O-N 3.19Å; K7-K9 VanDerWaalsContact O-N 3.1Å; K9-P65 WeakPolarHBondContact O-CD 3.16Å
10W65Low56Low64 Ų6494.4 Ų94.424%0.24246%0.464CS..  trans-78.3141.1169.3-67.293.7000109.8D42 F44 L62 F64 L91W10-D42 HydrophobicContact CH2-CB 4.02Å; W10-D42 WeakPolarHBondContact CZ3-O 3.33Å; W10-F44 AromaticContact CH2-CD2 3.79Å; W10-F44 HydrophobicContact CH2-CD2 3.79Å; W10-F44 AromaticContact CH2-CE2 3.58Å; W10-F44 HydrophobicContact CH2-CE2 3.58Å; W10-F44 HydrophobicContact CZ2-CE2 4.22Å; W10-F44 HydrophobicContact CZ3-CD2 4.01Å; W10-F44 HydrophobicContact CZ3-CE2 4.27Å; W10-L62 HydrophobicContact CB-CD1 3.85Å; W10-L62 HydrophobicContact CB-CG 4.45Å; W10-L62 HydrophobicContact CD2-CD2 4.07Å; W10-L62 HydrophobicContact CD2-CG 4.19Å; W10-L62 HydrophobicContact CE3-CD1 4.19Å; W10-L62 HydrophobicContact CE3-CD2 3.71Å; W10-L62 HydrophobicContact CE3-CG 3.54Å; W10-L62 HydrophobicContact CG-CD1 4.46Å; W10-L62 HydrophobicContact CZ3-CD2 4.01Å; W10-L62 HydrophobicContact CZ3-CG 4.05Å; W10-F64 HydrophobicContact CD2-CD1 4.04Å; W10-F64 AromaticContact CD2-CE1 3.29Å; W10-F64 HydrophobicContact CD2-CE1 3.29Å; W10-F64 AromaticContact CD2-CZ 3.89Å; W10-F64 HydrophobicContact CD2-CZ 3.89Å; W10-F64 AromaticContact CE2-CE1 3.26Å; W10-F64 AromaticContact CE2-CZ 3.49Å; W10-F64 VanDerWaalsContact CE2-CZ 3.49Å; W10-F64 AromaticContact CE3-CD1 3.9Å; W10-F64 HydrophobicContact CE3-CD1 3.9Å; W10-F64 AromaticContact CE3-CE1 3.41Å; W10-F64 HydrophobicContact CE3-CE1 3.41Å; W10-F64 VanDerWaalsContact CE3-CE1 3.41Å; W10-F64 HydrophobicContact CE3-CE2 4.46Å; W10-F64 AromaticContact CE3-CZ 3.84Å; W10-F64 HydrophobicContact CE3-CZ 3.84Å; W10-F64 AromaticContact CG-CE1 3.98Å; W10-F64 HydrophobicContact CG-CE1 3.98Å; W10-F64 AromaticContact CH2-CE1 3.6Å; W10-F64 HydrophobicContact CH2-CE1 3.6Å; W10-F64 AromaticContact CH2-CE2 3.61Å; W10-F64 HydrophobicContact CH2-CE2 3.61Å; W10-F64 AromaticContact CH2-CZ 3.09Å; W10-F64 HydrophobicContact CH2-CZ 3.09Å; W10-F64 AromaticContact CZ2-CE1 3.46Å; W10-F64 HydrophobicContact CZ2-CE1 3.46Å; W10-F64 VanDerWaalsContact CZ2-CE1 3.46Å; W10-F64 HydrophobicContact CZ2-CE2 4.09Å; W10-F64 AromaticContact CZ2-CZ 3.12Å; W10-F64 HydrophobicContact CZ2-CZ 3.12Å; W10-F64 HydrophobicContact CZ3-CD1 4.21Å; W10-F64 HydrophobicContact CZ3-CD2 4.32Å; W10-F64 AromaticContact CZ3-CE1 3.58Å; W10-F64 HydrophobicContact CZ3-CE1 3.58Å; W10-F64 AromaticContact CZ3-CE2 3.83Å; W10-F64 HydrophobicContact CZ3-CE2 3.83Å; W10-F64 AromaticContact CZ3-CZ 3.47Å; W10-F64 HydrophobicContact CZ3-CZ 3.47Å; W10-F64 VanDerWaalsContact CZ3-CZ 3.47Å; W10-F64 AromaticContact NE1-CE1 3.8Å; W10-L91 HydrophobicContact CB-CD1 4.3Å
11E64.9Low56.2Low19 Ų1993.9 Ų93.99%0.08946%0.463CS..EExtended strand (participates in β ladder)trans-121.7131.9171.7-68-175157.200108.7Y13 C63 P65 C89 R90E11-Y13 HydrophobicContact CB-CD2 4.37Å; E11-Y13 HydrophobicContact CB-CE2 3.55Å; E11-Y13 PolarHBondContact OE2-OH 3.17Å; E11-C63 PolarHBondContact N-O 2.81Å; E11-C63 PolarHBondContact O-N 2.91Å; E11-P65 HydrophobicContact CG-CG 4.1Å; E11-C89 WeakPolarHBondContact CA-O 3.48Å; E11-R90 HydrophobicContact CG-CG 4.31Å; E11-R90 IonicContact OE1-NE 3.38Å; E11-R90 PolarHBondContact OE1-NE 3.25Å; E11-R90 IonicContact OE1-NH2 3.84Å
12I66.1Low57.2Low43 Ų4389.4 Ų89.422%0.22144%0.443CS..EExtended strand (participates in β ladder)trans-94126.3172.8-63.4169.3000107.7I61 L62 S88 C89 L91I12-I61 WeakPolarHBondContact CA-O 3.38Å; I12-L62 HydrophobicContact CD1-CD1 4.18Å; I12-L62 HydrophobicContact CG1-CD1 3.33Å; I12-S88 VanDerWaalsContact O-CA 3.28Å; I12-S88 WeakPolarHBondContact O-CA 3.03Å; I12-C89 PolarHBondContact N-O 2.78Å; I12-C89 PolarHBondContact O-N 3.43Å; I12-C89 VanDerWaalsContact O-N 3.08Å; I12-L91 HydrophobicContact CD1-CD1 4.22Å; I12-L91 HydrophobicContact CD1-CD2 4.09Å; I12-L91 HydrophobicContact CD1-CG 4.17Å
13Y66.2Low58.6Low3 Ų385.4 Ų85.41%0.01243%0.426CS..EExtended strand (participates in β ladder)trans-109.7124.6173.6-64.7-86.8000109.5E11 C60 I61 C63 K68 L86 F87E11-Y13 HydrophobicContact CB-CD2 4.37Å; E11-Y13 HydrophobicContact CB-CE2 3.55Å; E11-Y13 PolarHBondContact OE2-OH 3.17Å; Y13-C60 CarbonylContact O-C 3.53Å; Y13-C60 VanDerWaalsContact O-CA 3.31Å; Y13-C60 WeakPolarHBondContact O-CA 3.46Å; Y13-I61 PolarHBondContact N-O 2.93Å; Y13-I61 PolarHBondContact O-N 3.24Å; Y13-C63 WeakPolarHBondContact CD2-SG 3.32Å; Y13-C63 WeakPolarHBondContact CE2-SG 3.46Å; Y13-K68 HydrophobicContact CE1-CB 3.85Å; Y13-K68 HydrophobicContact CE1-CD 4.18Å; Y13-K68 HydrophobicContact CE1-CG 3.86Å; Y13-K68 WeakPolarHBondContact OH-CB 3.31Å; Y13-L86 HydrophobicContact CD1-CD1 3.76Å; Y13-L86 HydrophobicContact CD1-CD2 4.26Å; Y13-L86 HydrophobicContact CD1-CG 4.12Å; Y13-L86 HydrophobicContact CE1-CD2 4.5Å; Y13-L86 HydrophobicContact CG-CD1 4.43Å; Y13-F87 WeakPolarHBondContact CA-O 3.49Å
14G67.5Low59.8Low0 Ų087.6 Ų87.60%043%0.428CS..EExtended strand (participates in β ladder)trans-109.6142.1172.500000111.1V59 L85 F87G14-V59 CarbonylContact C-O 3.55Å; G14-V59 VanDerWaalsContact CA-O 3.3Å; G14-V59 WeakPolarHBondContact CA-O 3.5Å; G14-L85 VanDerWaalsContact O-O 3.09Å; G14-F87 PolarHBondContact N-O 3.44Å
15F69.2Low61Low1 Ų180.5 Ų80.50%0.00440%0.397CS..EExtended strand (participates in β ladder)trans-149.4149.7171.360.2-70.3000111.2L17 F28 F58 V59 I61 F71 I75F15-L17 HydrophobicContact CD2-CD1 4.34Å; F15-L17 HydrophobicContact CD2-CD2 3.8Å; F15-L17 HydrophobicContact CD2-CG 3.71Å; F15-L17 HydrophobicContact CE2-CD1 3.63Å; F15-L17 HydrophobicContact CE2-CD2 3.75Å; F15-L17 HydrophobicContact CE2-CG 3.51Å; F15-L17 HydrophobicContact CZ-CD1 4.45Å; F15-F28 AromaticContact CE2-CE1 3.78Å; F15-F28 HydrophobicContact CE2-CE1 3.78Å; F15-F28 AromaticContact CE2-CZ 3.9Å; F15-F28 HydrophobicContact CE2-CZ 3.9Å; F15-F28 AromaticContact CZ-CE1 3.69Å; F15-F28 HydrophobicContact CZ-CE1 3.69Å; F15-F28 AromaticContact CZ-CZ 3.99Å; F15-F28 HydrophobicContact CZ-CZ 3.99Å; F15-F58 VanDerWaalsContact O-CD2 3.27Å; F15-F58 WeakPolarHBondContact O-CD2 3.44Å; F15-V59 HydrophobicContact CD1-CB 4.1Å; F15-V59 HydrophobicContact CD1-CG1 4.5Å; F15-V59 WeakPolarHBondContact CD1-O 3.44Å; F15-V59 HydrophobicContact CD2-CB 4.48Å; F15-V59 HydrophobicContact CE1-CB 3.45Å; F15-V59 VanDerWaalsContact CE1-CB 3.45Å; F15-V59 HydrophobicContact CE1-CG1 3.46Å; F15-V59 VanDerWaalsContact CE1-CG1 3.46Å; F15-V59 HydrophobicContact CE1-CG2 4.49Å; F15-V59 HydrophobicContact CE2-CB 3.99Å; F15-V59 HydrophobicContact CE2-CG1 4.39Å; F15-V59 HydrophobicContact CE2-CG2 4.21Å; F15-V59 HydrophobicContact CZ-CB 3.41Å; F15-V59 VanDerWaalsContact CZ-CB 3.41Å; F15-V59 HydrophobicContact CZ-CG1 3.41Å; F15-V59 VanDerWaalsContact CZ-CG1 3.41Å; F15-V59 HydrophobicContact CZ-CG2 4Å; F15-V59 PolarHBondContact N-O 2.83Å; F15-V59 PolarHBondContact O-N 2.84Å; F15-I61 HydrophobicContact CD1-CD1 4.32Å; F15-I61 HydrophobicContact CE1-CD1 3.34Å; F15-I61 HydrophobicContact CE1-CG1 3.94Å; F15-I61 HydrophobicContact CZ-CD1 3.88Å; F15-F71 AromaticContact CD1-CE1 3.68Å; F15-F71 HydrophobicContact CD1-CE1 3.68Å; F15-F71 AromaticContact CD1-CZ 3.56Å; F15-F71 HydrophobicContact CD1-CZ 3.56Å; F15-F71 HydrophobicContact CD2-CZ 4.4Å; F15-F71 AromaticContact CE1-CE1 3.98Å; F15-F71 HydrophobicContact CE1-CE1 3.98Å; F15-F71 HydrophobicContact CE1-CE2 4.34Å; F15-F71 AromaticContact CE1-CZ 3.35Å; F15-F71 HydrophobicContact CE1-CZ 3.35Å; F15-F71 HydrophobicContact CE2-CZ 4.13Å; F15-F71 HydrophobicContact CG-CE1 4.11Å; F15-F71 HydrophobicContact CG-CZ 4.13Å; F15-F71 HydrophobicContact CZ-CE2 4.47Å; F15-F71 AromaticContact CZ-CZ 3.64Å; F15-F71 HydrophobicContact CZ-CZ 3.64Å; F15-I75 HydrophobicContact CD2-CD1 4.15Å; F15-I75 HydrophobicContact CE2-CD1 4.5Å; F15-I75 HydrophobicContact CG-CD1 4.35Å
16W65.9Low62Low111 Ų11182.5 Ų82.542%0.4239%0.388SS..EExtended strand (participates in β ladder)trans-93.7134.5173.8-67.591.6000109.2E56 F58W16-E56 HydrophobicContact CE3-CB 4.1Å; W16-E56 HydrophobicContact CZ3-CB 4.46Å; W16-F58 AromaticContact CD1-CD2 3.91Å; W16-F58 HydrophobicContact CD2-CB 4.01Å; W16-F58 AromaticContact CD2-CD2 3.77Å; W16-F58 HydrophobicContact CD2-CD2 3.77Å; W16-F58 HydrophobicContact CD2-CG 4.16Å; W16-F58 AromaticContact CE2-CD2 3.58Å; W16-F58 AromaticContact CE2-CG 3.9Å; W16-F58 HydrophobicContact CE3-CB 3.76Å; W16-F58 HydrophobicContact CE3-CD2 4.39Å; W16-F58 HydrophobicContact CE3-CG 4.4Å; W16-F58 AromaticContact CG-CD2 3.97Å; W16-F58 HydrophobicContact CG-CD2 3.97Å; W16-F58 HydrophobicContact CH2-CB 3.81Å; W16-F58 HydrophobicContact CH2-CG 4.2Å; W16-F58 HydrophobicContact CZ2-CB 4.04Å; W16-F58 HydrophobicContact CZ2-CD1 4.45Å; W16-F58 HydrophobicContact CZ2-CD2 4.07Å; W16-F58 AromaticContact CZ2-CG 3.92Å; W16-F58 HydrophobicContact CZ2-CG 3.92Å; W16-F58 HydrophobicContact CZ3-CB 3.67Å; W16-F58 HydrophobicContact CZ3-CG 4.43Å; W16-F58 AromaticContact NE1-CD2 3.67Å
17L66.4Low62.8Low10 Ų1078.3 Ų78.35%0.05236%0.364CS..EExtended strand (participates in β ladder)trans-118125.2173-71.7179.3000109.1F15 V19 F25 F28 E56 I57 V59 V81F15-L17 HydrophobicContact CD2-CD1 4.34Å; F15-L17 HydrophobicContact CD2-CD2 3.8Å; F15-L17 HydrophobicContact CD2-CG 3.71Å; F15-L17 HydrophobicContact CE2-CD1 3.63Å; F15-L17 HydrophobicContact CE2-CD2 3.75Å; F15-L17 HydrophobicContact CE2-CG 3.51Å; F15-L17 HydrophobicContact CZ-CD1 4.45Å; L17-V19 HydrophobicContact CB-CG2 4.17Å; L17-V19 PolarHBondContact O-N 2.83Å; L17-F25 HydrophobicContact CD1-CD2 3.6Å; L17-F25 HydrophobicContact CD1-CE2 3.77Å; L17-F28 HydrophobicContact CD1-CD1 4.3Å; L17-F28 HydrophobicContact CD1-CE1 4.37Å; L17-E56 CarbonylContact O-C 3.58Å; L17-E56 WeakPolarHBondContact O-CA 3.18Å; L17-I57 PolarHBondContact N-O 3.16Å; L17-I57 PolarHBondContact O-N 2.67Å; L17-V59 HydrophobicContact CD1-CG2 3.99Å; L17-V59 HydrophobicContact CG-CG2 4.43Å; L17-V81 HydrophobicContact CD2-CG2 3.68Å
18F65.2Low63.5Low110 Ų11069.6 Ų69.648%0.48233%0.326SS..EExtended strand (participates in β ladder)trans-77112.2163.5-171.6-97.2000108.3A20 E55 E56F18-A20 HydrophobicContact CD1-CB 4.24Å; F18-A20 HydrophobicContact CE1-CB 3.96Å; F18-A20 PolarHBondContact O-N 2.94Å; F18-E55 HydrophobicContact CE2-CB 3.89Å; F18-E55 HydrophobicContact CZ-CB 4.14Å; F18-E55 WeakPolarHBondContact CZ-OE2 3.35Å; F18-E56 HydrophobicContact CD2-CG 4Å
19V62.6Low63.9Low18 Ų1866.6 Ų66.611%0.10931%0.31CS..  trans-10086.8-178-175.80000108.4L17 N21 F25 E55 I57L17-V19 HydrophobicContact CB-CG2 4.17Å; L17-V19 PolarHBondContact O-N 2.83Å; V19-N21 PolarHBondContact O-N 3.29Å; V19-F25 HydrophobicContact CG1-CB 4.16Å; V19-F25 HydrophobicContact CG2-CB 4.29Å; V19-F25 HydrophobicContact CG2-CD2 4.36Å; V19-E55 PolarHBondContact N-O 3.39Å; V19-I57 HydrophobicContact CB-CD1 4.27Å; V19-I57 HydrophobicContact CB-CG1 4.43Å; V19-I57 HydrophobicContact CG2-CB 4.18Å; V19-I57 HydrophobicContact CG2-CD1 3.65Å; V19-I57 HydrophobicContact CG2-CG1 3.76Å
20A58.4Low64Low83 Ų8364.7 Ų64.769%0.68631%0.306SS*.SBendtrans-66.9-20.1170.700000112.3F18F18-A20 HydrophobicContact CD1-CB 4.24Å; F18-A20 HydrophobicContact CE1-CB 3.96Å; F18-A20 PolarHBondContact O-N 2.94Å
21N59.8Low64Low84 Ų8466.8 Ų66.845%0.44931%0.314SS..  trans-159122.3-179.8-176.3-15.4000110.7V19 F23 Y24V19-N21 PolarHBondContact O-N 3.29Å; N21-F23 PolarHBondContact O-N 3.38Å; N21-F23 VanDerWaalsContact O-N 3.07Å; N21-F23 WeakPolarHBondContact OD1-CB 3.3Å; N21-F23 PolarHBondContact OD1-N 3.08Å; N21-F23 VanDerWaalsContact OD1-N 3.14Å; N21-Y24 HydrophobicContact CB-CD2 3.9Å; N21-Y24 HydrophobicContact CB-CE2 4.22Å; N21-Y24 PolarHBondContact O-N 3.33Å; N21-Y24 VanDerWaalsContact O-N 3.16Å
22D60.9Low64.1Low123 Ų12365.9 Ų65.966%0.65831%0.31SS*.Hα-helixtrans-52.9-30.1-178.4-62.6-26.8000113.5Y24 F25 Y26D22-Y24 VanDerWaalsContact C-N 3.34Å; D22-Y24 PolarHBondContact O-N 3.26Å; D22-F25 PolarHBondContact O-N 3.33Å; D22-Y26 PolarHBondContact O-N 3.29Å
23F58.2Low63.9Low133 Ų13366.2 Ų66.258%0.58332%0.315SS*.Hα-helixtrans-59.3-43-179.4-178.3-95000112.5N21 F25 Y26 E27N21-F23 PolarHBondContact O-N 3.38Å; N21-F23 VanDerWaalsContact O-N 3.07Å; N21-F23 WeakPolarHBondContact OD1-CB 3.3Å; N21-F23 PolarHBondContact OD1-N 3.08Å; N21-F23 VanDerWaalsContact OD1-N 3.14Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 2.9Å; F23-Y26 PolarHBondContact O-N 3.04Å; F23-E27 PolarHBondContact O-N 2.84Å; F23-E27 VanDerWaalsContact O-N 3.09Å
24Y60.7Low63.8Low158 Ų15869.3 Ų69.362%0.6234%0.337SS*.Hα-helixtrans-71.4-30.8-177.8-67.7-63.9000112.4N21 D22 F28N21-Y24 HydrophobicContact CB-CD2 3.9Å; N21-Y24 HydrophobicContact CB-CE2 4.22Å; N21-Y24 PolarHBondContact O-N 3.33Å; N21-Y24 VanDerWaalsContact O-N 3.16Å; D22-Y24 VanDerWaalsContact C-N 3.34Å; D22-Y24 PolarHBondContact O-N 3.26Å; Y24-F28 WeakPolarHBondContact O-CB 3.42Å; Y24-F28 PolarHBondContact O-N 3.21Å
25F64.7Low63.6Low48 Ų4872.7 Ų72.721%0.21136%0.355CS..Hα-helixtrans-64.3-47.8175.6176.5-109.2000111.1L17 V19 D22 F23 E27 F28 L29 I57 V59L17-F25 HydrophobicContact CD1-CD2 3.6Å; L17-F25 HydrophobicContact CD1-CE2 3.77Å; V19-F25 HydrophobicContact CG1-CB 4.16Å; V19-F25 HydrophobicContact CG2-CB 4.29Å; V19-F25 HydrophobicContact CG2-CD2 4.36Å; D22-F25 PolarHBondContact O-N 3.33Å; F23-F25 VanDerWaalsContact C-N 3.32Å; F23-F25 PolarHBondContact O-N 2.9Å; F25-E27 PolarHBondContact O-N 3.47Å; F25-F28 WeakPolarHBondContact O-CB 3.31Å; F25-F28 PolarHBondContact O-N 2.95Å; F25-L29 HydrophobicContact CD1-CD1 4.02Å; F25-L29 HydrophobicContact CE1-CD1 3.39Å; F25-L29 HydrophobicContact CE1-CG 4.2Å; F25-L29 HydrophobicContact CE2-CD1 4.15Å; F25-L29 HydrophobicContact CE2-CD2 4.35Å; F25-L29 HydrophobicContact CE2-CG 4.17Å; F25-L29 HydrophobicContact CZ-CD1 3.48Å; F25-L29 VanDerWaalsContact CZ-CD1 3.48Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 HydrophobicContact CZ-CG 3.99Å; F25-L29 WeakPolarHBondContact O-CG 3.28Å; F25-L29 PolarHBondContact O-N 3.16Å; F25-I57 HydrophobicContact CE2-CG2 4.34Å; F25-I57 HydrophobicContact CZ-CG2 4.32Å; F25-V59 HydrophobicContact CE2-CG2 3.7Å; F25-V59 HydrophobicContact CZ-CG2 4.23Å
26Y60.7Low63.1Low153 Ų15373.2 Ų73.260%0.636%0.357SS*.Hα-helixtrans-65.4-41.3179.5-170.2-105.1000112D22 F23 F28 L29 L30D22-Y26 PolarHBondContact O-N 3.29Å; F23-Y26 PolarHBondContact O-N 3.04Å; Y26-F28 VanDerWaalsContact C-N 3.34Å; Y26-F28 PolarHBondContact O-N 3.42Å; Y26-L29 PolarHBondContact O-N 3.17Å; Y26-L30 HydrophobicContact CD1-CD1 3.66Å; Y26-L30 HydrophobicContact CD1-CG 4.12Å; Y26-L30 HydrophobicContact CE1-CD1 3.28Å; Y26-L30 HydrophobicContact CE1-CD2 4.34Å; Y26-L30 HydrophobicContact CE1-CG 3.81Å; Y26-L30 WeakPolarHBondContact O-CB 3.27Å; Y26-L30 WeakPolarHBondContact O-CG 3.28Å; Y26-L30 PolarHBondContact O-N 3.02Å
27E62.6Low62.5Low60 Ų6071.5 Ų71.528%0.2837%0.367SS..Hα-helixtrans-64.2-39.9175.4-167.7-179-179.900112F23 F25 L30 R31F23-E27 PolarHBondContact O-N 2.84Å; F23-E27 VanDerWaalsContact O-N 3.09Å; F25-E27 PolarHBondContact O-N 3.47Å; E27-L30 PolarHBondContact O-N 2.84Å; E27-R31 WeakPolarHBondContact O-CB 3.4Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.43Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 IonicContact OE1-CZ 3.19Å; E27-R31 IonicContact OE1-NE 3.18Å; E27-R31 PolarHBondContact OE1-NE 3.15Å; E27-R31 IonicContact OE1-NH2 2.63Å; E27-R31 PolarHBondContact OE1-NH2 3.44Å
28F68.2Low61.9Low16 Ų1677 Ų777%0.0740%0.395CS..Hα-helixtrans-59.8-49.9174.1169.8-94.7000111.2F15 L17 Y24 F25 Y26 L30 R31 L32 F71 Y74 T79F15-F28 AromaticContact CE2-CE1 3.78Å; F15-F28 HydrophobicContact CE2-CE1 3.78Å; F15-F28 AromaticContact CE2-CZ 3.9Å; F15-F28 HydrophobicContact CE2-CZ 3.9Å; F15-F28 AromaticContact CZ-CE1 3.69Å; F15-F28 HydrophobicContact CZ-CE1 3.69Å; F15-F28 AromaticContact CZ-CZ 3.99Å; F15-F28 HydrophobicContact CZ-CZ 3.99Å; L17-F28 HydrophobicContact CD1-CD1 4.3Å; L17-F28 HydrophobicContact CD1-CE1 4.37Å; Y24-F28 WeakPolarHBondContact O-CB 3.42Å; Y24-F28 PolarHBondContact O-N 3.21Å; F25-F28 WeakPolarHBondContact O-CB 3.31Å; F25-F28 PolarHBondContact O-N 2.95Å; Y26-F28 VanDerWaalsContact C-N 3.34Å; Y26-F28 PolarHBondContact O-N 3.42Å; F28-L30 PolarHBondContact O-N 3.45Å; F28-R31 PolarHBondContact O-N 3.42Å; F28-L32 HydrophobicContact CE1-CD1 4.44Å; F28-L32 HydrophobicContact CE2-CD1 4.31Å; F28-L32 HydrophobicContact CZ-CD1 3.92Å; F28-L32 WeakPolarHBondContact O-CB 3.18Å; F28-L32 PolarHBondContact O-N 2.84Å; F28-F71 HydrophobicContact CZ-CE2 4.31Å; F28-F71 HydrophobicContact CZ-CZ 4.4Å; F28-Y74 AromaticContact CD2-CE1 3.95Å; F28-Y74 HydrophobicContact CD2-CE1 3.95Å; F28-Y74 AromaticContact CE2-CD1 4Å; F28-Y74 HydrophobicContact CE2-CD1 4Å; F28-Y74 AromaticContact CE2-CE1 3.79Å; F28-Y74 HydrophobicContact CE2-CE1 3.79Å; F28-T79 HydrophobicContact CD2-CG2 4.48Å
29L66.4Low61.2Low34 Ų3476.4 Ų76.418%0.17840%0.397CS..Hα-helixtrans-60.1-45.8177.5-71.5-178.7000111.7F25 Y26 R31 L32 C33 F45F25-L29 HydrophobicContact CD1-CD1 4.02Å; F25-L29 HydrophobicContact CE1-CD1 3.39Å; F25-L29 HydrophobicContact CE1-CG 4.2Å; F25-L29 HydrophobicContact CE2-CD1 4.15Å; F25-L29 HydrophobicContact CE2-CD2 4.35Å; F25-L29 HydrophobicContact CE2-CG 4.17Å; F25-L29 HydrophobicContact CZ-CD1 3.48Å; F25-L29 VanDerWaalsContact CZ-CD1 3.48Å; F25-L29 HydrophobicContact CZ-CD2 4.29Å; F25-L29 HydrophobicContact CZ-CG 3.99Å; F25-L29 WeakPolarHBondContact O-CG 3.28Å; F25-L29 PolarHBondContact O-N 3.16Å; Y26-L29 PolarHBondContact O-N 3.17Å; L29-R31 PolarHBondContact O-N 2.93Å; L29-L32 WeakPolarHBondContact O-CB 3.35Å; L29-L32 PolarHBondContact O-N 3.26Å; L29-C33 WeakPolarHBondContact O-CB 3.47Å; L29-C33 PolarHBondContact O-N 3.49Å; L29-C33 PolarHBondContact O-SG 2.82Å; L29-F45 HydrophobicContact CD2-CD1 3.91Å; L29-F45 HydrophobicContact CD2-CE1 3.64Å
30L64.7Low60.6Low87 Ų8781 Ų8146%0.45543%0.43SS..Hα-helixtrans-61.2-43178.8-79.5-179.9000112.5Y26 E27 F28 C33 S34Y26-L30 HydrophobicContact CD1-CD1 3.66Å; Y26-L30 HydrophobicContact CD1-CG 4.12Å; Y26-L30 HydrophobicContact CE1-CD1 3.28Å; Y26-L30 HydrophobicContact CE1-CD2 4.34Å; Y26-L30 HydrophobicContact CE1-CG 3.81Å; Y26-L30 WeakPolarHBondContact O-CB 3.27Å; Y26-L30 WeakPolarHBondContact O-CG 3.28Å; Y26-L30 PolarHBondContact O-N 3.02Å; E27-L30 PolarHBondContact O-N 2.84Å; F28-L30 PolarHBondContact O-N 3.45Å; L30-C33 WeakPolarHBondContact O-CB 3.41Å; L30-C33 PolarHBondContact O-N 3.38Å; L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.18Å
31R64.6Low60.3Low108 Ų10878.5 Ų78.541%0.40841%0.405SS..Hα-helixtrans-66.7-41.2176.4-72.1175.9-179.6-158.60.4111.1E27 F28 L29 C33 S34 D35 Y74E27-R31 WeakPolarHBondContact O-CB 3.4Å; E27-R31 VanDerWaalsContact O-CG 3.31Å; E27-R31 WeakPolarHBondContact O-CG 3.43Å; E27-R31 PolarHBondContact O-N 3.46Å; E27-R31 IonicContact OE1-CZ 3.19Å; E27-R31 IonicContact OE1-NE 3.18Å; E27-R31 PolarHBondContact OE1-NE 3.15Å; E27-R31 IonicContact OE1-NH2 2.63Å; E27-R31 PolarHBondContact OE1-NH2 3.44Å; F28-R31 PolarHBondContact O-N 3.42Å; L29-R31 PolarHBondContact O-N 2.93Å; R31-C33 VanDerWaalsContact C-N 3.34Å; R31-C33 PolarHBondContact O-N 3.36Å; R31-S34 PolarHBondContact O-N 3.03Å; R31-S34 VanDerWaalsContact O-N 3.16Å; R31-D35 WeakPolarHBondContact O-CB 3.17Å; R31-D35 VanDerWaalsContact O-CG 3.32Å; R31-D35 PolarHBondContact O-N 3.32Å; R31-Y74 VanDerWaalsContact CB-OH 3.31Å; R31-Y74 WeakPolarHBondContact CB-OH 3.45Å
32L66.3Low59.9Low1 Ų179.3 Ų79.31%0.00541%0.409CS..Hα-helixtrans-57.2-49.8174.7-155.289.9000110.8F28 L29 S34 F36 F45 I61 F71F28-L32 HydrophobicContact CE1-CD1 4.44Å; F28-L32 HydrophobicContact CE2-CD1 4.31Å; F28-L32 HydrophobicContact CZ-CD1 3.92Å; F28-L32 WeakPolarHBondContact O-CB 3.18Å; F28-L32 PolarHBondContact O-N 2.84Å; L29-L32 WeakPolarHBondContact O-CB 3.35Å; L29-L32 PolarHBondContact O-N 3.26Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 2.89Å; L32-F36 HydrophobicContact CD1-CD2 4.32Å; L32-F36 HydrophobicContact CD1-CE2 3.65Å; L32-F36 HydrophobicContact CD2-CD2 4.35Å; L32-F36 HydrophobicContact CD2-CE2 4.22Å; L32-F36 HydrophobicContact CG-CD2 3.73Å; L32-F36 HydrophobicContact CG-CE2 3.56Å; L32-F36 WeakPolarHBondContact O-CB 3.38Å; L32-F36 WeakPolarHBondContact O-CD2 3.44Å; L32-F36 PolarHBondContact O-N 2.95Å; L32-F36 VanDerWaalsContact O-N 3.14Å; L32-F45 HydrophobicContact CB-CZ 4.47Å; L32-F45 HydrophobicContact CD2-CE1 3.62Å; L32-F45 HydrophobicContact CD2-CZ 3.77Å; L32-I61 HydrophobicContact CD2-CD1 3.51Å; L32-I61 HydrophobicContact CD2-CG1 4.31Å; L32-F71 HydrophobicContact CD1-CD2 3.94Å; L32-F71 HydrophobicContact CD1-CE2 3.59Å; L32-F71 HydrophobicContact CD2-CE2 4.12Å; L32-F71 HydrophobicContact CG-CE2 4.48Å
33C63.1Low59.6Low49 Ų4974.9 Ų74.933%0.33139%0.385SS..Hα-helixtrans-57.5-47.2173.9-66.40000111.5L29 L30 R31 F36 A37 F45L29-C33 WeakPolarHBondContact O-CB 3.47Å; L29-C33 PolarHBondContact O-N 3.49Å; L29-C33 PolarHBondContact O-SG 2.82Å; L30-C33 WeakPolarHBondContact O-CB 3.41Å; L30-C33 PolarHBondContact O-N 3.38Å; R31-C33 VanDerWaalsContact C-N 3.34Å; R31-C33 PolarHBondContact O-N 3.36Å; C33-F36 PolarHBondContact O-N 2.59Å; C33-A37 WeakPolarHBondContact O-CA 3.39Å; C33-A37 WeakPolarHBondContact O-CB 3.19Å; C33-A37 PolarHBondContact O-N 3.15Å; C33-F45 WeakPolarHBondContact SG-CE2 3.26Å; C33-F45 WeakPolarHBondContact SG-CZ 3.33Å
34S64.5Low59.3Low68 Ų6873.5 Ų73.548%0.47638%0.379SS..Hα-helixtrans-64.2-46.9-176.6-176.30000112L30 R31 L32 F36 I38L30-S34 WeakPolarHBondContact O-CB 3.46Å; L30-S34 PolarHBondContact O-N 3.18Å; R31-S34 PolarHBondContact O-N 3.03Å; R31-S34 VanDerWaalsContact O-N 3.16Å; L32-S34 VanDerWaalsContact C-N 3.35Å; L32-S34 PolarHBondContact O-N 2.89Å; S34-F36 VanDerWaalsContact C-N 3.3Å; S34-F36 PolarHBondContact O-N 3.14Å; S34-I38 WeakPolarHBondContact O-CD1 3.23Å; S34-I38 WeakPolarHBondContact O-CG1 3.36Å
35D62.1Low59Low72 Ų7269.4 Ų69.439%0.38537%0.365SS..Hα-helixtrans-67.3-34.4-176.9-69.7-18.2000110.7R31 Y74R31-D35 WeakPolarHBondContact O-CB 3.17Å; R31-D35 VanDerWaalsContact O-CG 3.32Å; R31-D35 PolarHBondContact O-N 3.32Å; D35-Y74 WeakPolarHBondContact OD2-CE2 3.4Å
36F58.8Low58.4Low11 Ų1172.7 Ų72.75%0.04838%0.379CS..Hα-helixtrans-93.2-23.2-179.3-65.3-52.6000115.5L32 C33 S34 I38 D39 I41 I43 L67 I70L32-F36 HydrophobicContact CD1-CD2 4.32Å; L32-F36 HydrophobicContact CD1-CE2 3.65Å; L32-F36 HydrophobicContact CD2-CD2 4.35Å; L32-F36 HydrophobicContact CD2-CE2 4.22Å; L32-F36 HydrophobicContact CG-CD2 3.73Å; L32-F36 HydrophobicContact CG-CE2 3.56Å; L32-F36 WeakPolarHBondContact O-CB 3.38Å; L32-F36 WeakPolarHBondContact O-CD2 3.44Å; L32-F36 PolarHBondContact O-N 2.95Å; L32-F36 VanDerWaalsContact O-N 3.14Å; C33-F36 PolarHBondContact O-N 2.59Å; S34-F36 VanDerWaalsContact C-N 3.3Å; S34-F36 PolarHBondContact O-N 3.14Å; F36-I38 PolarHBondContact O-N 2.79Å; F36-D39 PolarHBondContact O-N 2.92Å; F36-D39 VanDerWaalsContact O-N 3.1Å; F36-I41 HydrophobicContact CD1-CD1 4.31Å; F36-I43 HydrophobicContact CB-CD1 3.18Å; F36-I43 HydrophobicContact CB-CG1 4.04Å; F36-I43 HydrophobicContact CD1-CD1 4.44Å; F36-I43 HydrophobicContact CD2-CD1 3.16Å; F36-I43 HydrophobicContact CE2-CD1 4.13Å; F36-I43 HydrophobicContact CG-CD1 3.36Å; F36-L67 HydrophobicContact CD1-CD2 3.35Å; F36-L67 HydrophobicContact CE1-CD2 2.9Å; F36-L67 HydrophobicContact CE1-CG 4.35Å; F36-L67 HydrophobicContact CE2-CD2 4.37Å; F36-L67 HydrophobicContact CG-CD2 4.3Å; F36-L67 HydrophobicContact CZ-CD2 3.49Å; F36-L67 VanDerWaalsContact CZ-CD2 3.49Å; F36-I70 HydrophobicContact CE1-CB 4.45Å; F36-I70 HydrophobicContact CE1-CG2 3.86Å; F36-I70 HydrophobicContact CZ-CG2 3.98Å
37A54.7Low57.7Low75 Ų7574.5 Ų74.562%0.6239%0.393SS*.Hα-helixtrans-62.8-26.1170.800000111.5C33 D39C33-A37 WeakPolarHBondContact O-CA 3.39Å; C33-A37 WeakPolarHBondContact O-CB 3.19Å; C33-A37 PolarHBondContact O-N 3.15Å; A37-D39 VanDerWaalsContact C-N 3.26Å; A37-D39 PolarHBondContact O-N 2.78Å
38I52.2Low57.1Low126 Ų12673.5 Ų73.565%0.64639%0.389SS*.THydrogen-bonded Turntrans-65.9-29.6175.3-67167000111.4S34 F36S34-I38 WeakPolarHBondContact O-CD1 3.23Å; S34-I38 WeakPolarHBondContact O-CG1 3.36Å; F36-I38 PolarHBondContact O-N 2.79Å
39D51.4Low56Low98 Ų9881.2 Ų81.252%0.52443%0.429SS..THydrogen-bonded Turntrans-98.815.2-173.2-78.4-20.3000114.8F36 A37 I41F36-D39 PolarHBondContact O-N 2.92Å; F36-D39 VanDerWaalsContact O-N 3.1Å; A37-D39 VanDerWaalsContact C-N 3.26Å; A37-D39 PolarHBondContact O-N 2.78Å; D39-I41 HydrophobicContact CB-CD1 4.05Å; D39-I41 HydrophobicContact CB-CG1 4.01Å; D39-I41 PolarHBondContact O-N 3.24Å
40S49.4Very low55Low113 Ų11381.5 Ų81.579%0.7944%0.44SS*.THydrogen-bonded Turntrans5825.5-178.5-44.10000113.7
41I52.5Low53.9Low31 Ų3185.2 Ų85.216%0.15946%0.455CS..  trans-87.2113.7176.9-57.3-179.4000107.2F36 D39 I43 F64 L67F36-I41 HydrophobicContact CD1-CD1 4.31Å; D39-I41 HydrophobicContact CB-CD1 4.05Å; D39-I41 HydrophobicContact CB-CG1 4.01Å; D39-I41 PolarHBondContact O-N 3.24Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 HydrophobicContact CB-CG1 4.43Å; I41-I43 HydrophobicContact CG2-CG1 3.78Å; I41-I43 PolarHBondContact O-N 3.1Å; I41-F64 HydrophobicContact CG2-CD2 4.13Å; I41-L67 HydrophobicContact CD1-CD1 3.71Å; I41-L67 HydrophobicContact CD1-CD2 3.8Å; I41-L67 HydrophobicContact CD1-CG 3.89Å; I41-L67 HydrophobicContact CG2-CD1 3.66Å
42D51.6Low53.2Low101 Ų10186.3 Ų86.354%0.5447%0.468SS..  trans-64.297.3165.6-70-39.3000108.2W10 F44 F64W10-D42 HydrophobicContact CH2-CB 4.02Å; W10-D42 WeakPolarHBondContact CZ3-O 3.33Å; D42-F44 HydrophobicContact CB-CE2 3.95Å; D42-F64 HydrophobicContact CB-CE2 4.38Å
43I54Low52.4Low31 Ų3190.9 Ų90.916%0.15949%0.492CS..  trans-88.7115170.8-63-165.4000108.4F36 I41 F45 I61F36-I43 HydrophobicContact CB-CD1 3.18Å; F36-I43 HydrophobicContact CB-CG1 4.04Å; F36-I43 HydrophobicContact CD1-CD1 4.44Å; F36-I43 HydrophobicContact CD2-CD1 3.16Å; F36-I43 HydrophobicContact CE2-CD1 4.13Å; F36-I43 HydrophobicContact CG-CD1 3.36Å; I41-I43 VanDerWaalsContact C-N 3.34Å; I41-I43 HydrophobicContact CB-CG1 4.43Å; I41-I43 HydrophobicContact CG2-CG1 3.78Å; I41-I43 PolarHBondContact O-N 3.1Å; I43-F45 HydrophobicContact CB-CE2 4.15Å; I43-F45 HydrophobicContact CG2-CD2 3.77Å; I43-F45 HydrophobicContact CG2-CE1 4.25Å; I43-F45 HydrophobicContact CG2-CE2 3.4Å; I43-F45 VanDerWaalsContact CG2-CE2 3.4Å; I43-F45 HydrophobicContact CG2-CG 4.31Å; I43-F45 HydrophobicContact CG2-CZ 3.7Å; I43-I61 HydrophobicContact CG2-CG2 3.96Å
44F52.8Low52.1Low103 Ų10396.7 Ų96.745%0.45251%0.512SS..EExtended strand (participates in β ladder)trans-93.4108.2165.8-65-86.1000108.3W10 D42 F46 L62W10-F44 AromaticContact CH2-CD2 3.79Å; W10-F44 HydrophobicContact CH2-CD2 3.79Å; W10-F44 AromaticContact CH2-CE2 3.58Å; W10-F44 HydrophobicContact CH2-CE2 3.58Å; W10-F44 HydrophobicContact CZ2-CE2 4.22Å; W10-F44 HydrophobicContact CZ3-CD2 4.01Å; W10-F44 HydrophobicContact CZ3-CE2 4.27Å; D42-F44 HydrophobicContact CB-CE2 3.95Å; F44-F46 HydrophobicContact CB-CD2 4.36Å; F44-F46 HydrophobicContact CB-CE2 3.79Å; F44-F46 HydrophobicContact CB-CZ 4.38Å; F44-F46 PolarHBondContact O-N 2.91Å; F44-L62 HydrophobicContact CB-CB 4.18Å; F44-L62 HydrophobicContact CB-CD2 4.24Å; F44-L62 HydrophobicContact CD2-CD2 4.06Å; F44-L62 HydrophobicContact CG-CD2 4.46Å; F44-L62 PolarHBondContact N-O 3.41Å; F44-L62 PolarHBondContact O-N 3.42Å; F44-L62 VanDerWaalsContact O-N 3.15Å
45F54.5Low52Low73 Ų7399 Ų9932%0.3252%0.515SS..EExtended strand (participates in β ladder)trans-74.6115.9164.4-66.2-88000107.7L29 L32 C33 I43 I61L29-F45 HydrophobicContact CD2-CD1 3.91Å; L29-F45 HydrophobicContact CD2-CE1 3.64Å; L32-F45 HydrophobicContact CB-CZ 4.47Å; L32-F45 HydrophobicContact CD2-CE1 3.62Å; L32-F45 HydrophobicContact CD2-CZ 3.77Å; C33-F45 WeakPolarHBondContact SG-CE2 3.26Å; C33-F45 WeakPolarHBondContact SG-CZ 3.33Å; I43-F45 HydrophobicContact CB-CE2 4.15Å; I43-F45 HydrophobicContact CG2-CD2 3.77Å; I43-F45 HydrophobicContact CG2-CE1 4.25Å; I43-F45 HydrophobicContact CG2-CE2 3.4Å; I43-F45 VanDerWaalsContact CG2-CE2 3.4Å; I43-F45 HydrophobicContact CG2-CG 4.31Å; I43-F45 HydrophobicContact CG2-CZ 3.7Å; F45-I61 HydrophobicContact CE1-CG1 4.48Å
46F51.7Low52Low117 Ų11799.2 Ų99.251%0.51351%0.514SS..EExtended strand (participates in β ladder)trans-93.1105.4161.8-69.9-85.8000106F44 I48 C60 L62F44-F46 HydrophobicContact CB-CD2 4.36Å; F44-F46 HydrophobicContact CB-CE2 3.79Å; F44-F46 HydrophobicContact CB-CZ 4.38Å; F44-F46 PolarHBondContact O-N 2.91Å; F46-I48 PolarHBondContact O-N 3.1Å; F46-I48 VanDerWaalsContact O-N 3.1Å; F46-C60 HydrophobicContact CB-CB 4.36Å; F46-C60 PolarHBondContact N-O 3.07Å; F46-L62 HydrophobicContact CD2-CB 4.17Å; F46-L62 HydrophobicContact CE2-CB 3.86Å; F46-L62 HydrophobicContact CE2-CD2 4Å
47E46.8Very low52.3Low190 Ų190100.8 Ų100.889%0.88852%0.523SS*.EExtended strand (participates in β ladder)trans-53.6117.7163.2-176.6179.1-173.800107.2
48I49.9Very low52.9Low40 Ų4098.8 Ų98.821%0.20550%0.5CS..  trans-85.1130.3178.9-55.4-164.1000108.5F46 G50 F58 V59 C60F46-I48 PolarHBondContact O-N 3.1Å; F46-I48 VanDerWaalsContact O-N 3.1Å; I48-G50 VanDerWaalsContact C-N 3.26Å; I48-G50 PolarHBondContact O-N 3.14Å; I48-F58 HydrophobicContact CB-CD1 4.41Å; I48-F58 WeakPolarHBondContact CB-O 3.48Å; I48-F58 VanDerWaalsContact CD1-C 3.48Å; I48-F58 HydrophobicContact CD1-CB 3.98Å; I48-F58 HydrophobicContact CD1-CD1 3.03Å; I48-F58 HydrophobicContact CD1-CD2 4.2Å; I48-F58 HydrophobicContact CD1-CE1 3.11Å; I48-F58 HydrophobicContact CD1-CE2 4.3Å; I48-F58 HydrophobicContact CD1-CG 3.49Å; I48-F58 VanDerWaalsContact CD1-CG 3.49Å; I48-F58 HydrophobicContact CD1-CZ 3.7Å; I48-F58 WeakPolarHBondContact CD1-O 3.12Å; I48-F58 HydrophobicContact CG1-CD1 4.3Å; I48-F58 WeakPolarHBondContact CG1-O 3.31Å; I48-F58 HydrophobicContact CG2-CB 4.11Å; I48-F58 HydrophobicContact CG2-CD1 3.64Å; I48-F58 HydrophobicContact CG2-CE1 4.4Å; I48-F58 HydrophobicContact CG2-CG 4.29Å; I48-V59 VanDerWaalsContact CD1-C 3.4Å; I48-C60 HydrophobicContact CD1-CB 3.45Å; I48-C60 VanDerWaalsContact CD1-CB 3.45Å; I48-C60 VanDerWaalsContact CD1-N 3.26Å; I48-C60 WeakPolarHBondContact CD1-SG 3.22Å; I48-C60 HydrophobicContact CG1-CB 3.69Å
49I43.6Very low53.6Low177 Ų17793.2 Ų93.291%0.90847%0.471SS*.  trans-6485.6162.6-54.1167000107.9
50G46.2Very low54.4Low40 Ų4089.4 Ų89.441%0.41245%0.453SS..  trans-123.2109.1175.700000108.8I48 L52I48-G50 VanDerWaalsContact C-N 3.26Å; I48-G50 PolarHBondContact O-N 3.14Å; G50-L52 PolarHBondContact O-N 3.47Å
51Q40.9Very low55.3Low166 Ų16684.2 Ų84.278%0.77642%0.416SS*.  trans-55.6128.8169-161.8171.81400107.3I53Q51-I53 HydrophobicContact CB-CD1 4.25Å; Q51-I53 HydrophobicContact CB-CG1 4.14Å; Q51-I53 HydrophobicContact CG-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.28Å
52L50.6Low55.9Low130 Ų13083.5 Ų83.568%0.68141%0.412SS*.  trans-5881.3171.9-89.8154.5000108.9G50G50-L52 PolarHBondContact O-N 3.47Å
53I48.7Very low56.6Low97 Ų9778.9 Ų78.950%0.49739%0.388SS..SBendtrans-97.5100.1169.9-60.3168.1000102.6Q51Q51-I53 HydrophobicContact CB-CD1 4.25Å; Q51-I53 HydrophobicContact CB-CG1 4.14Å; Q51-I53 HydrophobicContact CG-CG1 4.29Å; Q51-I53 PolarHBondContact O-N 3.28Å
54F57.2Low57Low172 Ų17279.2 Ų79.275%0.75439%0.388SS*.SBendtrans73.739.3178.7-49.3-77.7000118.2E56F54-E56 PolarHBondContact O-N 2.91Å
55E62.5Low57.4Low115 Ų11577.3 Ų77.354%0.53739%0.386SS..SBendtrans6418.8175.6-55.6177172.200114.4F18 V19F18-E55 HydrophobicContact CE2-CB 3.89Å; F18-E55 HydrophobicContact CZ-CB 4.14Å; F18-E55 WeakPolarHBondContact CZ-OE2 3.35Å; V19-E55 PolarHBondContact N-O 3.39Å
56E62.6Low57.6Low77 Ų7778.5 Ų78.536%0.3640%0.401SS..EExtended strand (participates in β ladder)trans-103.5134.4179.3-67179.5-176.600111.7W16 L17 F18 F54W16-E56 HydrophobicContact CE3-CB 4.1Å; W16-E56 HydrophobicContact CZ3-CB 4.46Å; L17-E56 CarbonylContact O-C 3.58Å; L17-E56 WeakPolarHBondContact O-CA 3.18Å; F18-E56 HydrophobicContact CD2-CG 4Å; F54-E56 PolarHBondContact O-N 2.91Å
57I63.8Low58.1Low45 Ų4573.1 Ų73.123%0.23138%0.378CS..EExtended strand (participates in β ladder)trans-111.1125.4172.7-57.5-173.2000108.1L17 V19 F25 V59L17-I57 PolarHBondContact N-O 3.16Å; L17-I57 PolarHBondContact O-N 2.67Å; V19-I57 HydrophobicContact CB-CD1 4.27Å; V19-I57 HydrophobicContact CB-CG1 4.43Å; V19-I57 HydrophobicContact CG2-CB 4.18Å; V19-I57 HydrophobicContact CG2-CD1 3.65Å; V19-I57 HydrophobicContact CG2-CG1 3.76Å; F25-I57 HydrophobicContact CE2-CG2 4.34Å; F25-I57 HydrophobicContact CZ-CG2 4.32Å; I57-V59 HydrophobicContact CG2-CG2 3.96Å
58F67.9Low58.6Low32 Ų3268.5 Ų68.514%0.1436%0.355CS..EExtended strand (participates in β ladder)trans-84.1134.5168.1-171.5-134.4000108.4F15 W16 I48 F87F15-F58 VanDerWaalsContact O-CD2 3.27Å; F15-F58 WeakPolarHBondContact O-CD2 3.44Å; W16-F58 AromaticContact CD1-CD2 3.91Å; W16-F58 HydrophobicContact CD2-CB 4.01Å; W16-F58 AromaticContact CD2-CD2 3.77Å; W16-F58 HydrophobicContact CD2-CD2 3.77Å; W16-F58 HydrophobicContact CD2-CG 4.16Å; W16-F58 AromaticContact CE2-CD2 3.58Å; W16-F58 AromaticContact CE2-CG 3.9Å; W16-F58 HydrophobicContact CE3-CB 3.76Å; W16-F58 HydrophobicContact CE3-CD2 4.39Å; W16-F58 HydrophobicContact CE3-CG 4.4Å; W16-F58 AromaticContact CG-CD2 3.97Å; W16-F58 HydrophobicContact CG-CD2 3.97Å; W16-F58 HydrophobicContact CH2-CB 3.81Å; W16-F58 HydrophobicContact CH2-CG 4.2Å; W16-F58 HydrophobicContact CZ2-CB 4.04Å; W16-F58 HydrophobicContact CZ2-CD1 4.45Å; W16-F58 HydrophobicContact CZ2-CD2 4.07Å; W16-F58 AromaticContact CZ2-CG 3.92Å; W16-F58 HydrophobicContact CZ2-CG 3.92Å; W16-F58 HydrophobicContact CZ3-CB 3.67Å; W16-F58 HydrophobicContact CZ3-CG 4.43Å; W16-F58 AromaticContact NE1-CD2 3.67Å; I48-F58 HydrophobicContact CB-CD1 4.41Å; I48-F58 WeakPolarHBondContact CB-O 3.48Å; I48-F58 VanDerWaalsContact CD1-C 3.48Å; I48-F58 HydrophobicContact CD1-CB 3.98Å; I48-F58 HydrophobicContact CD1-CD1 3.03Å; I48-F58 HydrophobicContact CD1-CD2 4.2Å; I48-F58 HydrophobicContact CD1-CE1 3.11Å; I48-F58 HydrophobicContact CD1-CE2 4.3Å; I48-F58 HydrophobicContact CD1-CG 3.49Å; I48-F58 VanDerWaalsContact CD1-CG 3.49Å; I48-F58 HydrophobicContact CD1-CZ 3.7Å; I48-F58 WeakPolarHBondContact CD1-O 3.12Å; I48-F58 HydrophobicContact CG1-CD1 4.3Å; I48-F58 WeakPolarHBondContact CG1-O 3.31Å; I48-F58 HydrophobicContact CG2-CB 4.11Å; I48-F58 HydrophobicContact CG2-CD1 3.64Å; I48-F58 HydrophobicContact CG2-CE1 4.4Å; I48-F58 HydrophobicContact CG2-CG 4.29Å; F58-F87 HydrophobicContact CE1-CE1 4.19Å; F58-F87 HydrophobicContact CE1-CZ 4.17Å; F58-F87 AromaticContact CE2-CE1 3.72Å; F58-F87 HydrophobicContact CE2-CE1 3.72Å; F58-F87 HydrophobicContact CE2-CZ 4.35Å; F58-F87 HydrophobicContact CZ-CD1 4.45Å; F58-F87 AromaticContact CZ-CE1 3.23Å; F58-F87 HydrophobicContact CZ-CE1 3.23Å; F58-F87 AromaticContact CZ-CZ 3.45Å; F58-F87 HydrophobicContact CZ-CZ 3.45Å; F58-F87 VanDerWaalsContact CZ-CZ 3.45Å
59V67.7Low59Low9 Ų970.8 Ų70.86%0.05537%0.37CS..EExtended strand (participates in β ladder)trans-128.2131-178.1-175.30000110G14 F15 L17 F25 I48 I57 I61G14-V59 CarbonylContact C-O 3.55Å; G14-V59 VanDerWaalsContact CA-O 3.3Å; G14-V59 WeakPolarHBondContact CA-O 3.5Å; F15-V59 HydrophobicContact CD1-CB 4.1Å; F15-V59 HydrophobicContact CD1-CG1 4.5Å; F15-V59 WeakPolarHBondContact CD1-O 3.44Å; F15-V59 HydrophobicContact CD2-CB 4.48Å; F15-V59 HydrophobicContact CE1-CB 3.45Å; F15-V59 VanDerWaalsContact CE1-CB 3.45Å; F15-V59 HydrophobicContact CE1-CG1 3.46Å; F15-V59 VanDerWaalsContact CE1-CG1 3.46Å; F15-V59 HydrophobicContact CE1-CG2 4.49Å; F15-V59 HydrophobicContact CE2-CB 3.99Å; F15-V59 HydrophobicContact CE2-CG1 4.39Å; F15-V59 HydrophobicContact CE2-CG2 4.21Å; F15-V59 HydrophobicContact CZ-CB 3.41Å; F15-V59 VanDerWaalsContact CZ-CB 3.41Å; F15-V59 HydrophobicContact CZ-CG1 3.41Å; F15-V59 VanDerWaalsContact CZ-CG1 3.41Å; F15-V59 HydrophobicContact CZ-CG2 4Å; F15-V59 PolarHBondContact N-O 2.83Å; F15-V59 PolarHBondContact O-N 2.84Å; L17-V59 HydrophobicContact CD1-CG2 3.99Å; L17-V59 HydrophobicContact CG-CG2 4.43Å; F25-V59 HydrophobicContact CE2-CG2 3.7Å; F25-V59 HydrophobicContact CZ-CG2 4.23Å; I48-V59 VanDerWaalsContact CD1-C 3.4Å; I57-V59 HydrophobicContact CG2-CG2 3.96Å; V59-I61 HydrophobicContact CG1-CG1 4.34Å
60C67.4Low59.8Low19 Ų1966.1 Ų66.113%0.12835%0.347CS..EExtended strand (participates in β ladder)trans-117.6125-179.4-95.30000108.6Y13 F46 I48Y13-C60 CarbonylContact O-C 3.53Å; Y13-C60 VanDerWaalsContact O-CA 3.31Å; Y13-C60 WeakPolarHBondContact O-CA 3.46Å; F46-C60 HydrophobicContact CB-CB 4.36Å; F46-C60 PolarHBondContact N-O 3.07Å; I48-C60 HydrophobicContact CD1-CB 3.45Å; I48-C60 VanDerWaalsContact CD1-CB 3.45Å; I48-C60 VanDerWaalsContact CD1-N 3.26Å; I48-C60 WeakPolarHBondContact CD1-SG 3.22Å; I48-C60 HydrophobicContact CG1-CB 3.69Å
61I67.3Low60.6Low4 Ų464.6 Ų64.62%0.02133%0.329CS..EExtended strand (participates in β ladder)trans-117.7119.1178.6-63164.5000107.3I12 Y13 F15 L32 I43 F45 V59 C63 F71I12-I61 WeakPolarHBondContact CA-O 3.38Å; Y13-I61 PolarHBondContact N-O 2.93Å; Y13-I61 PolarHBondContact O-N 3.24Å; F15-I61 HydrophobicContact CD1-CD1 4.32Å; F15-I61 HydrophobicContact CE1-CD1 3.34Å; F15-I61 HydrophobicContact CE1-CG1 3.94Å; F15-I61 HydrophobicContact CZ-CD1 3.88Å; L32-I61 HydrophobicContact CD2-CD1 3.51Å; L32-I61 HydrophobicContact CD2-CG1 4.31Å; I43-I61 HydrophobicContact CG2-CG2 3.96Å; F45-I61 HydrophobicContact CE1-CG1 4.48Å; V59-I61 HydrophobicContact CG1-CG1 4.34Å; I61-C63 HydrophobicContact CG2-CB 4.02Å; I61-F71 HydrophobicContact CD1-CD2 4.21Å; I61-F71 HydrophobicContact CD1-CE1 4.37Å; I61-F71 HydrophobicContact CD1-CE2 3.25Å; I61-F71 HydrophobicContact CD1-CZ 3.37Å
62L65.8Low61.5Low15 Ų1561.7 Ų61.78%0.07931%0.313CS..EExtended strand (participates in β ladder)trans-90123167.7-177.977.5000108.1W10 I12 F44 F46 L91W10-L62 HydrophobicContact CB-CD1 3.85Å; W10-L62 HydrophobicContact CB-CG 4.45Å; W10-L62 HydrophobicContact CD2-CD2 4.07Å; W10-L62 HydrophobicContact CD2-CG 4.19Å; W10-L62 HydrophobicContact CE3-CD1 4.19Å; W10-L62 HydrophobicContact CE3-CD2 3.71Å; W10-L62 HydrophobicContact CE3-CG 3.54Å; W10-L62 HydrophobicContact CG-CD1 4.46Å; W10-L62 HydrophobicContact CZ3-CD2 4.01Å; W10-L62 HydrophobicContact CZ3-CG 4.05Å; I12-L62 HydrophobicContact CD1-CD1 4.18Å; I12-L62 HydrophobicContact CG1-CD1 3.33Å; F44-L62 HydrophobicContact CB-CB 4.18Å; F44-L62 HydrophobicContact CB-CD2 4.24Å; F44-L62 HydrophobicContact CD2-CD2 4.06Å; F44-L62 HydrophobicContact CG-CD2 4.46Å; F44-L62 PolarHBondContact N-O 3.41Å; F44-L62 PolarHBondContact O-N 3.42Å; F44-L62 VanDerWaalsContact O-N 3.15Å; F46-L62 HydrophobicContact CD2-CB 4.17Å; F46-L62 HydrophobicContact CE2-CB 3.86Å; F46-L62 HydrophobicContact CE2-CD2 4Å; L62-L91 HydrophobicContact CD1-CD1 3.93Å
63C65.7Low62.1Low4 Ų459.4 Ų59.43%0.02730%0.302CS..EExtended strand (participates in β ladder)trans-153.4169.5-177.376.60000113.6E11 Y13 I61 L67E11-C63 PolarHBondContact N-O 2.81Å; E11-C63 PolarHBondContact O-N 2.91Å; Y13-C63 WeakPolarHBondContact CD2-SG 3.32Å; Y13-C63 WeakPolarHBondContact CE2-SG 3.46Å; I61-C63 HydrophobicContact CG2-CB 4.02Å; C63-L67 HydrophobicContact CB-CD1 3.22Å; C63-L67 HydrophobicContact CB-CG 4.47Å; C63-L67 VanDerWaalsContact SG-CB 3.51Å; C63-L67 WeakPolarHBondContact SG-CD1 3.44Å
64F62.7Low62.6Low39 Ų3956.3 Ų56.317%0.17128%0.284CS..  trans-87.5138.5178-62.9-55.8000111.6I8 W10 I41 D42 L67I8-F64 HydrophobicContact CB-CE1 4.33Å; I8-F64 HydrophobicContact CG2-CD1 3.39Å; I8-F64 HydrophobicContact CG2-CE1 2.87Å; I8-F64 HydrophobicContact CG2-CZ 3.61Å; W10-F64 HydrophobicContact CD2-CD1 4.04Å; W10-F64 AromaticContact CD2-CE1 3.29Å; W10-F64 HydrophobicContact CD2-CE1 3.29Å; W10-F64 AromaticContact CD2-CZ 3.89Å; W10-F64 HydrophobicContact CD2-CZ 3.89Å; W10-F64 AromaticContact CE2-CE1 3.26Å; W10-F64 AromaticContact CE2-CZ 3.49Å; W10-F64 VanDerWaalsContact CE2-CZ 3.49Å; W10-F64 AromaticContact CE3-CD1 3.9Å; W10-F64 HydrophobicContact CE3-CD1 3.9Å; W10-F64 AromaticContact CE3-CE1 3.41Å; W10-F64 HydrophobicContact CE3-CE1 3.41Å; W10-F64 VanDerWaalsContact CE3-CE1 3.41Å; W10-F64 HydrophobicContact CE3-CE2 4.46Å; W10-F64 AromaticContact CE3-CZ 3.84Å; W10-F64 HydrophobicContact CE3-CZ 3.84Å; W10-F64 AromaticContact CG-CE1 3.98Å; W10-F64 HydrophobicContact CG-CE1 3.98Å; W10-F64 AromaticContact CH2-CE1 3.6Å; W10-F64 HydrophobicContact CH2-CE1 3.6Å; W10-F64 AromaticContact CH2-CE2 3.61Å; W10-F64 HydrophobicContact CH2-CE2 3.61Å; W10-F64 AromaticContact CH2-CZ 3.09Å; W10-F64 HydrophobicContact CH2-CZ 3.09Å; W10-F64 AromaticContact CZ2-CE1 3.46Å; W10-F64 HydrophobicContact CZ2-CE1 3.46Å; W10-F64 VanDerWaalsContact CZ2-CE1 3.46Å; W10-F64 HydrophobicContact CZ2-CE2 4.09Å; W10-F64 AromaticContact CZ2-CZ 3.12Å; W10-F64 HydrophobicContact CZ2-CZ 3.12Å; W10-F64 HydrophobicContact CZ3-CD1 4.21Å; W10-F64 HydrophobicContact CZ3-CD2 4.32Å; W10-F64 AromaticContact CZ3-CE1 3.58Å; W10-F64 HydrophobicContact CZ3-CE1 3.58Å; W10-F64 AromaticContact CZ3-CE2 3.83Å; W10-F64 HydrophobicContact CZ3-CE2 3.83Å; W10-F64 AromaticContact CZ3-CZ 3.47Å; W10-F64 HydrophobicContact CZ3-CZ 3.47Å; W10-F64 VanDerWaalsContact CZ3-CZ 3.47Å; W10-F64 AromaticContact NE1-CE1 3.8Å; I41-F64 HydrophobicContact CG2-CD2 4.13Å; D42-F64 HydrophobicContact CB-CE2 4.38Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 VanDerWaalsContact O-CD1 3.29Å; F64-L67 WeakPolarHBondContact O-CD1 3.41Å; F64-L67 WeakPolarHBondContact O-CG 3.29Å; F64-L67 PolarHBondContact O-N 3.49Å
65P61.5Low62.7Low62 Ų6248.3 Ų48.340%0.40325%0.249SC..THydrogen-bonded Turntrans-56.1143.6165.3-7.315.3000109.6K9 E11K9-P65 WeakPolarHBondContact O-CD 3.16Å; E11-P65 HydrophobicContact CG-CG 4.1Å
66P59.4Low62.7Low98 Ų9846.1 Ų46.164%0.63624%0.244SC*.THydrogen-bonded Turncis-100.72720.238.6-35.7000115K68 T69P66-K68 PolarHBondContact O-N 2.63Å; P66-T69 PolarHBondContact O-N 3.18Å
67L61.4Low62.6Low4 Ų448.8 Ų48.82%0.02126%0.26CS..Hα-helixtrans-52.7-22.9-172.1-79.2174.7000116.6F36 I41 C63 F64 T69 I70 F71F36-L67 HydrophobicContact CD1-CD2 3.35Å; F36-L67 HydrophobicContact CE1-CD2 2.9Å; F36-L67 HydrophobicContact CE1-CG 4.35Å; F36-L67 HydrophobicContact CE2-CD2 4.37Å; F36-L67 HydrophobicContact CG-CD2 4.3Å; F36-L67 HydrophobicContact CZ-CD2 3.49Å; F36-L67 VanDerWaalsContact CZ-CD2 3.49Å; I41-L67 HydrophobicContact CD1-CD1 3.71Å; I41-L67 HydrophobicContact CD1-CD2 3.8Å; I41-L67 HydrophobicContact CD1-CG 3.89Å; I41-L67 HydrophobicContact CG2-CD1 3.66Å; C63-L67 HydrophobicContact CB-CD1 3.22Å; C63-L67 HydrophobicContact CB-CG 4.47Å; C63-L67 VanDerWaalsContact SG-CB 3.51Å; C63-L67 WeakPolarHBondContact SG-CD1 3.44Å; F64-L67 WeakPolarHBondContact O-CB 3.35Å; F64-L67 VanDerWaalsContact O-CD1 3.29Å; F64-L67 WeakPolarHBondContact O-CD1 3.41Å; F64-L67 WeakPolarHBondContact O-CG 3.29Å; F64-L67 PolarHBondContact O-N 3.49Å; L67-T69 PolarHBondContact O-N 3.28Å; L67-T69 VanDerWaalsContact O-N 3.14Å; L67-I70 HydrophobicContact CD2-CD1 4.41Å; L67-I70 PolarHBondContact O-N 2.94Å; L67-F71 WeakPolarHBondContact O-CB 3Å; L67-F71 PolarHBondContact O-N 3.42Å
68K56.8Low62.2Low94 Ų9454 Ų5441%0.40928%0.277SS..Hα-helixtrans-44.7-45.5172.9-164.8162.8-177.2167.70113.9Y13 P66 K72 L86Y13-K68 HydrophobicContact CE1-CB 3.85Å; Y13-K68 HydrophobicContact CE1-CD 4.18Å; Y13-K68 HydrophobicContact CE1-CG 3.86Å; Y13-K68 WeakPolarHBondContact OH-CB 3.31Å; P66-K68 PolarHBondContact O-N 2.63Å; K68-K72 WeakPolarHBondContact O-CB 3.45Å; K68-K72 PolarHBondContact O-N 3.5Å; K68-L86 HydrophobicContact CG-CD2 4.11Å
69T59.2Low61.5Low87 Ų8754.4 Ų54.453%0.53428%0.283SS..Hα-helixtrans-74.5-47.1-173.4-45.10000110.4P66 L67 F71 K72 D73P66-T69 PolarHBondContact O-N 3.18Å; L67-T69 PolarHBondContact O-N 3.28Å; L67-T69 VanDerWaalsContact O-N 3.14Å; T69-F71 VanDerWaalsContact C-N 3.33Å; T69-F71 PolarHBondContact O-N 3.09Å; T69-K72 PolarHBondContact O-N 3.43Å; T69-D73 WeakPolarHBondContact O-CB 3.4Å; T69-D73 VanDerWaalsContact O-CG 3.23Å; T69-D73 PolarHBondContact O-N 3.47Å
70I60.7Low60.6Low80 Ų8061.5 Ų61.541%0.4133%0.325SS..Hα-helixtrans-62.3-44.8179-60.1171.7000110F36 L67 D73 Y74F36-I70 HydrophobicContact CE1-CB 4.45Å; F36-I70 HydrophobicContact CE1-CG2 3.86Å; F36-I70 HydrophobicContact CZ-CG2 3.98Å; L67-I70 HydrophobicContact CD2-CD1 4.41Å; L67-I70 PolarHBondContact O-N 2.94Å; I70-D73 PolarHBondContact O-N 3.24Å; I70-Y74 WeakPolarHBondContact O-CB 3.31Å; I70-Y74 PolarHBondContact O-N 3.45Å
71F61.9Low59.8Low7 Ų761.8 Ų61.83%0.03133%0.327CS..Hα-helixtrans-65.4-43.7-179.4-164.5-103.3000112F15 F28 L32 I61 L67 T69 Y74 I75 L86F15-F71 AromaticContact CD1-CE1 3.68Å; F15-F71 HydrophobicContact CD1-CE1 3.68Å; F15-F71 AromaticContact CD1-CZ 3.56Å; F15-F71 HydrophobicContact CD1-CZ 3.56Å; F15-F71 HydrophobicContact CD2-CZ 4.4Å; F15-F71 AromaticContact CE1-CE1 3.98Å; F15-F71 HydrophobicContact CE1-CE1 3.98Å; F15-F71 HydrophobicContact CE1-CE2 4.34Å; F15-F71 AromaticContact CE1-CZ 3.35Å; F15-F71 HydrophobicContact CE1-CZ 3.35Å; F15-F71 HydrophobicContact CE2-CZ 4.13Å; F15-F71 HydrophobicContact CG-CE1 4.11Å; F15-F71 HydrophobicContact CG-CZ 4.13Å; F15-F71 HydrophobicContact CZ-CE2 4.47Å; F15-F71 AromaticContact CZ-CZ 3.64Å; F15-F71 HydrophobicContact CZ-CZ 3.64Å; F28-F71 HydrophobicContact CZ-CE2 4.31Å; F28-F71 HydrophobicContact CZ-CZ 4.4Å; L32-F71 HydrophobicContact CD1-CD2 3.94Å; L32-F71 HydrophobicContact CD1-CE2 3.59Å; L32-F71 HydrophobicContact CD2-CE2 4.12Å; L32-F71 HydrophobicContact CG-CE2 4.48Å; I61-F71 HydrophobicContact CD1-CD2 4.21Å; I61-F71 HydrophobicContact CD1-CE1 4.37Å; I61-F71 HydrophobicContact CD1-CE2 3.25Å; I61-F71 HydrophobicContact CD1-CZ 3.37Å; L67-F71 WeakPolarHBondContact O-CB 3Å; L67-F71 PolarHBondContact O-N 3.42Å; T69-F71 VanDerWaalsContact C-N 3.33Å; T69-F71 PolarHBondContact O-N 3.09Å; F71-Y74 PolarHBondContact O-N 3.35Å; F71-I75 HydrophobicContact CD1-CD1 3.62Å; F71-I75 HydrophobicContact CD1-CG1 4.45Å; F71-I75 HydrophobicContact CE1-CD1 3.08Å; F71-I75 HydrophobicContact CE1-CG1 4.19Å; F71-I75 HydrophobicContact CE2-CD1 4.23Å; F71-I75 HydrophobicContact CG-CD1 4.39Å; F71-I75 HydrophobicContact CZ-CD1 3.4Å; F71-I75 VanDerWaalsContact CZ-CD1 3.4Å; F71-I75 HydrophobicContact CZ-CG1 4.27Å; F71-I75 WeakPolarHBondContact O-CB 3.45Å; F71-I75 WeakPolarHBondContact O-CG1 3.3Å; F71-I75 PolarHBondContact O-N 2.9Å; F71-L86 HydrophobicContact CD1-CD1 3.95Å; F71-L86 HydrophobicContact CE1-CD1 4.1Å
72K61Low58.8Low105 Ų10566.8 Ų66.846%0.45736%0.362SS..Hα-helixtrans-61-49.5175.6-172.9179.7179.7-1740110.9K68 T69 Y74 I75 T76 F84K68-K72 WeakPolarHBondContact O-CB 3.45Å; K68-K72 PolarHBondContact O-N 3.5Å; T69-K72 PolarHBondContact O-N 3.43Å; K72-Y74 VanDerWaalsContact C-N 3.34Å; K72-Y74 PolarHBondContact O-N 3.47Å; K72-I75 PolarHBondContact O-N 2.82Å; K72-T76 WeakPolarHBondContact O-CB 3.14Å; K72-T76 WeakPolarHBondContact O-CG2 3.44Å; K72-T76 PolarHBondContact O-N 3.16Å; K72-T76 PolarHBondContact O-OG1 2.84Å; K72-F84 HydrophobicContact CG-CE2 4.48Å
73D63.1Low58Low82 Ų8272.2 Ų72.244%0.43939%0.391SS..Hα-helixtrans-64.3-39.8-179-69.5-14.6000111.7T69 I70 T76 N77T69-D73 WeakPolarHBondContact O-CB 3.4Å; T69-D73 VanDerWaalsContact O-CG 3.23Å; T69-D73 PolarHBondContact O-N 3.47Å; I70-D73 PolarHBondContact O-N 3.24Å; D73-T76 WeakPolarHBondContact CA-OG1 3.34Å; D73-T76 PolarHBondContact O-OG1 3.35Å; D73-N77 VanDerWaalsContact O-CB 3.28Å; D73-N77 WeakPolarHBondContact O-CB 3.33Å; D73-N77 VanDerWaalsContact O-CG 3.3Å; D73-N77 PolarHBondContact O-N 2.88Å; D73-N77 VanDerWaalsContact O-N 3.15Å; D73-N77 PolarHBondContact O-ND2 3.14Å
74Y59.8Low57.4Low32 Ų3275.3 Ų75.313%0.12540%0.404CS..Hα-helixtrans-63.2-48.7178-169.4-86.3000111.6F28 R31 D35 I70 F71 K72 N77 R78F28-Y74 AromaticContact CD2-CE1 3.95Å; F28-Y74 HydrophobicContact CD2-CE1 3.95Å; F28-Y74 AromaticContact CE2-CD1 4Å; F28-Y74 HydrophobicContact CE2-CD1 4Å; F28-Y74 AromaticContact CE2-CE1 3.79Å; F28-Y74 HydrophobicContact CE2-CE1 3.79Å; R31-Y74 VanDerWaalsContact CB-OH 3.31Å; R31-Y74 WeakPolarHBondContact CB-OH 3.45Å; D35-Y74 WeakPolarHBondContact OD2-CE2 3.4Å; I70-Y74 WeakPolarHBondContact O-CB 3.31Å; I70-Y74 PolarHBondContact O-N 3.45Å; F71-Y74 PolarHBondContact O-N 3.35Å; K72-Y74 VanDerWaalsContact C-N 3.34Å; K72-Y74 PolarHBondContact O-N 3.47Å; Y74-N77 PolarHBondContact O-N 3.1Å; Y74-R78 WeakPolarHBondContact O-CB 3.49Å; Y74-R78 PolarHBondContact O-N 3.49Å
75I58.9Low56.7Low4 Ų479.6 Ų79.62%0.02143%0.428CS..Hα-helixtrans-63.7-50.5178.5-71.5-178.6000110.6F15 F71 K72 N77 R78 T79 F84F15-I75 HydrophobicContact CD2-CD1 4.15Å; F15-I75 HydrophobicContact CE2-CD1 4.5Å; F15-I75 HydrophobicContact CG-CD1 4.35Å; F71-I75 HydrophobicContact CD1-CD1 3.62Å; F71-I75 HydrophobicContact CD1-CG1 4.45Å; F71-I75 HydrophobicContact CE1-CD1 3.08Å; F71-I75 HydrophobicContact CE1-CG1 4.19Å; F71-I75 HydrophobicContact CE2-CD1 4.23Å; F71-I75 HydrophobicContact CG-CD1 4.39Å; F71-I75 HydrophobicContact CZ-CD1 3.4Å; F71-I75 VanDerWaalsContact CZ-CD1 3.4Å; F71-I75 HydrophobicContact CZ-CG1 4.27Å; F71-I75 WeakPolarHBondContact O-CB 3.45Å; F71-I75 WeakPolarHBondContact O-CG1 3.3Å; F71-I75 PolarHBondContact O-N 2.9Å; K72-I75 PolarHBondContact O-N 2.82Å; I75-N77 PolarHBondContact O-N 3.3Å; I75-N77 VanDerWaalsContact O-N 3.17Å; I75-R78 PolarHBondContact O-N 3.17Å; I75-T79 PolarHBondContact O-N 2.92Å; I75-T79 PolarHBondContact O-OG1 3.15Å; I75-F84 HydrophobicContact CG2-CB 4.26Å; I75-F84 HydrophobicContact CG2-CD1 3.95Å; I75-F84 HydrophobicContact CG2-CG 4.08Å
76T61.2Low56.5Low69 Ų6978.7 Ų78.742%0.42342%0.42SS..Hα-helixtrans-61.8-28.9-176.645.80000113.3K72 D73 F84K72-T76 WeakPolarHBondContact O-CB 3.14Å; K72-T76 WeakPolarHBondContact O-CG2 3.44Å; K72-T76 PolarHBondContact O-N 3.16Å; K72-T76 PolarHBondContact O-OG1 2.84Å; D73-T76 WeakPolarHBondContact CA-OG1 3.34Å; D73-T76 PolarHBondContact O-OG1 3.35Å; T76-F84 HydrophobicContact CG2-CE1 3.6Å; T76-F84 HydrophobicContact CG2-CZ 3.66Å
77N60.8Low56.4Low133 Ų13378.2 Ų78.271%0.71141%0.408SS*.Hα-helixtrans-93.7-13.7-175.5-73.2-41.5000114.4D73 Y74 I75D73-N77 VanDerWaalsContact O-CB 3.28Å; D73-N77 WeakPolarHBondContact O-CB 3.33Å; D73-N77 VanDerWaalsContact O-CG 3.3Å; D73-N77 PolarHBondContact O-N 2.88Å; D73-N77 VanDerWaalsContact O-N 3.15Å; D73-N77 PolarHBondContact O-ND2 3.14Å; Y74-N77 PolarHBondContact O-N 3.1Å; I75-N77 PolarHBondContact O-N 3.3Å; I75-N77 VanDerWaalsContact O-N 3.17Å
78R55.2Low56.1Low155 Ų15580.7 Ų80.759%0.58543%0.425SS*.Hα-helixtrans-128.9-22-168.4-68.8-168.1169.3-165.8-1.6116.1Y74 I75Y74-R78 WeakPolarHBondContact O-CB 3.49Å; Y74-R78 PolarHBondContact O-N 3.49Å; I75-R78 PolarHBondContact O-N 3.17Å
79T53.9Low55.9Low41 Ų4179.3 Ų79.325%0.25243%0.427SS..  trans-108.5130.3-176.942.90000110.8F28 I75 V81F28-T79 HydrophobicContact CD2-CG2 4.48Å; I75-T79 PolarHBondContact O-N 2.92Å; I75-T79 PolarHBondContact O-OG1 3.15Å; T79-V81 VanDerWaalsContact CB-CG2 3.49Å; T79-V81 HydrophobicContact CG2-CG2 4.23Å; T79-V81 PolarHBondContact O-N 3.44Å
80V48.5Very low55.7Low157 Ų15783.4 Ų83.495%0.95243%0.433SS*.  trans-67.655.3159.9-1690000108
81V51.1Low55.4Low26 Ų2687.8 Ų87.816%0.15846%0.456CS..  trans-103.7101.1175.5169.30000103.8L17 T79 D83 F84L17-V81 HydrophobicContact CD2-CG2 3.68Å; T79-V81 VanDerWaalsContact CB-CG2 3.49Å; T79-V81 HydrophobicContact CG2-CG2 4.23Å; T79-V81 PolarHBondContact O-N 3.44Å; V81-D83 PolarHBondContact O-N 3.46Å; V81-F84 HydrophobicContact CG1-CB 4.19Å
82S46.4Very low55.1Low109 Ų10991.9 Ų91.976%0.76248%0.477SS*.SBendtrans-64.2-26-175.251.40000112
83D49Very low54.7Low129 Ų12991.2 Ų91.269%0.6948%0.478SS*.  trans-146.6106.8-179.7-64.9-67.1000110.4V81V81-D83 PolarHBondContact O-N 3.46Å
84F53.1Low54.3Low69 Ų6991.7 Ų91.730%0.30348%0.481SS..  trans-101.6124.5165.964.2-87.3000108.6K72 I75 T76 V81 L86K72-F84 HydrophobicContact CG-CE2 4.48Å; I75-F84 HydrophobicContact CG2-CB 4.26Å; I75-F84 HydrophobicContact CG2-CD1 3.95Å; I75-F84 HydrophobicContact CG2-CG 4.08Å; T76-F84 HydrophobicContact CG2-CE1 3.6Å; T76-F84 HydrophobicContact CG2-CZ 3.66Å; V81-F84 HydrophobicContact CG1-CB 4.19Å; F84-L86 HydrophobicContact CD2-CB 4.25Å
85L48.5Very low54Low129 Ų12995.2 Ų95.268%0.67550%0.501SS*.  trans-102.888.2170.7-143.7127.2000108.6G14 F87G14-L85 VanDerWaalsContact O-O 3.09Å; L85-F87 PolarHBondContact O-N 2.85Å
86L56.5Low53.6Low43 Ų43100.9 Ų100.923%0.22553%0.532CS..  trans-74.4106177.3-170.375.2000109.2Y13 K68 F71 F84Y13-L86 HydrophobicContact CD1-CD1 3.76Å; Y13-L86 HydrophobicContact CD1-CD2 4.26Å; Y13-L86 HydrophobicContact CD1-CG 4.12Å; Y13-L86 HydrophobicContact CE1-CD2 4.5Å; Y13-L86 HydrophobicContact CG-CD1 4.43Å; K68-L86 HydrophobicContact CG-CD2 4.11Å; F71-L86 HydrophobicContact CD1-CD1 3.95Å; F71-L86 HydrophobicContact CE1-CD1 4.1Å; F84-L86 HydrophobicContact CD2-CB 4.25Å
87F57.2Low53.1Low87 Ų87103 Ų10338%0.38254%0.539SS..EExtended strand (participates in β ladder)trans-99.6145.8162.870.6-98.6000110.2Y13 G14 F58 L85Y13-F87 WeakPolarHBondContact CA-O 3.49Å; G14-F87 PolarHBondContact N-O 3.44Å; F58-F87 HydrophobicContact CE1-CE1 4.19Å; F58-F87 HydrophobicContact CE1-CZ 4.17Å; F58-F87 AromaticContact CE2-CE1 3.72Å; F58-F87 HydrophobicContact CE2-CE1 3.72Å; F58-F87 HydrophobicContact CE2-CZ 4.35Å; F58-F87 HydrophobicContact CZ-CD1 4.45Å; F58-F87 AromaticContact CZ-CE1 3.23Å; F58-F87 HydrophobicContact CZ-CE1 3.23Å; F58-F87 AromaticContact CZ-CZ 3.45Å; F58-F87 HydrophobicContact CZ-CZ 3.45Å; F58-F87 VanDerWaalsContact CZ-CZ 3.45Å; L85-F87 PolarHBondContact O-N 2.85Å
88S56Low52.6Low56 Ų56100.9 Ų100.939%0.39253%0.526SS..EExtended strand (participates in β ladder)trans-121.8121.3173.1590000108.8I12I12-S88 VanDerWaalsContact O-CA 3.28Å; I12-S88 WeakPolarHBondContact O-CA 3.03Å
89C51.9Low52.4Low65 Ų6596.7 Ų96.744%0.43952%0.522SS..EExtended strand (participates in β ladder)trans-107.3139.4169.7-167.20000109.8E11 I12E11-C89 WeakPolarHBondContact CA-O 3.48Å; I12-C89 PolarHBondContact N-O 2.78Å; I12-C89 PolarHBondContact O-N 3.43Å; I12-C89 VanDerWaalsContact O-N 3.08Å
90R54.6Low52.3Low174 Ų174101.3 Ų101.366%0.65754%0.544SS*.EExtended strand (participates in β ladder)trans-96.1126.6170.7-72-1791731681.9108.3E11E11-R90 HydrophobicContact CG-CG 4.31Å; E11-R90 IonicContact OE1-NE 3.38Å; E11-R90 PolarHBondContact OE1-NE 3.25Å; E11-R90 IonicContact OE1-NH2 3.84Å
91L54.6Low52.6Low172 Ų17296.3 Ų96.390%0.90151%0.507SS*.  trans-75.60169.3-67.6173.5000111.3W10 I12 L62W10-L91 HydrophobicContact CB-CD1 4.3Å; I12-L91 HydrophobicContact CD1-CD1 4.22Å; I12-L91 HydrophobicContact CD1-CD2 4.09Å; I12-L91 HydrophobicContact CD1-CG 4.17Å; L62-L91 HydrophobicContact CD1-CD1 3.93Å

Retrieved 91 of 91 residues in 186.9 ms (Link to these results)

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