A0A087XE85_POEFO Loading...

Diphthamide biosynthesis protein 3

AlphaFold DB , UniProt , Accession A0A087XE85, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 83 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
1M52.1Low79.6Confident232 Ų232105.7 Ų105.7100%1.14354%0.541SS*.  0970-94.8150.1171.100106.5V3M1-V3 PolarHBondContact O-N 3.08Å
2S53.7Low80.4Confident97 Ų97104.9 Ų104.968%0.67854%0.539SS*.  trans-74.1106.2168.9-390000105.4
3V71.8Confident81Confident118 Ų11898 Ų9872%0.71550%0.503SS*.  trans-90.7113.7177.9176.40000106.1M1M1-V3 PolarHBondContact O-N 3.08Å
4F82.1Confident81.7Confident87 Ų87100.8 Ų100.838%0.38251%0.512SS..  trans-65.6135.9169.2-58.6-75.1000108.5V45 I54 K56F4-V45 HydrophobicContact CE1-CG1 4.31Å; F4-V45 HydrophobicContact CE1-CG2 3.99Å; F4-I54 HydrophobicContact CD1-CD1 4Å; F4-I54 HydrophobicContact CD1-CG1 4.22Å; F4-I54 HydrophobicContact CE1-CD1 4.03Å; F4-K56 HydrophobicContact CB-CB 4.45Å; F4-K56 HydrophobicContact CD1-CB 3.91Å; F4-K56 HydrophobicContact CE1-CB 4.34Å; F4-K56 HydrophobicContact CG-CB 4.1Å
5H82.8Confident82.2Confident103 Ų10399.7 Ų99.748%0.47750%0.503SS..SBendtrans-71.4-42.7177.1-170.4-60.1000110.5I54 V55H5-I54 PolarHBondContact N-O 3.1Å; H5-V55 HydrophobicContact CB-CG1 4.33Å
6D85.8Confident82.6Confident96 Ų9696.9 Ų96.951%0.51349%0.49SS..  trans-156163.9-178.1-119-77000111V8 V55 K56D6-V8 HydrophobicContact CB-CG2 4.38Å; D6-V55 HydrophobicContact CB-CG1 4.33Å; D6-V55 WeakPolarHBondContact O-CA 3.23Å; D6-K56 PolarHBondContact O-N 3.41Å
7E90.6Very high82.7Confident118 Ų118101.1 Ų101.155%0.55151%0.507SS*.EExtended strand (participates in β ladder)trans-111.3119.6171.7-57.6-173.392.900107.9K56 I58E7-K56 CarbonylContact C-O 3.56Å; E7-K56 WeakPolarHBondContact CA-O 3.16Å; E7-K56 HydrophobicContact CG-CB 4.09Å; E7-K56 HydrophobicContact CG-CD 4.24Å; E7-K56 WeakPolarHBondContact OE1-CD 3.46Å; E7-K56 IonicContact OE1-NZ 3.93Å; E7-K56 PolarHBondContact OE1-NZ 3.43Å; E7-I58 HydrophobicContact CB-CD1 4.22Å; E7-I58 HydrophobicContact CB-CG1 4.16Å
8V90.5Very high83Confident18 Ų18105.7 Ų105.711%0.10953%0.527CS..EExtended strand (participates in β ladder)trans-126.3135.3-172.9-176.20000109D6 D12 F13 F24 K56 V57 I58D6-V8 HydrophobicContact CB-CG2 4.38Å; V8-D12 HydrophobicContact CG1-CB 4.26Å; V8-F13 HydrophobicContact CB-CE2 3.83Å; V8-F13 HydrophobicContact CG1-CD2 4.12Å; V8-F13 HydrophobicContact CG1-CE2 3.58Å; V8-F24 HydrophobicContact CG1-CD2 3.97Å; V8-F24 HydrophobicContact CG1-CE1 4.44Å; V8-F24 HydrophobicContact CG1-CE2 3.62Å; V8-F24 HydrophobicContact CG1-CZ 3.89Å; V8-F24 HydrophobicContact CG2-CE1 4.22Å; V8-F24 HydrophobicContact CG2-CZ 4.25Å; V8-K56 PolarHBondContact N-O 3.14Å; V8-V57 CarbonylContact O-C 3.54Å; V8-V57 WeakPolarHBondContact O-CA 3.35Å; V8-I58 PolarHBondContact O-N 3.4Å
9E90.7Very high83Confident120 Ų120104.1 Ų104.156%0.56152%0.523SS*.EExtended strand (participates in β ladder)trans-72.7140.6178.4-64176.2114.200110.9E11 D12 F13 I58E9-E11 PolarHBondContact O-N 3.25Å; E9-E11 VanDerWaalsContact O-N 3.09Å; E9-D12 PolarHBondContact O-N 3.38Å; E9-F13 WeakPolarHBondContact O-CD2 3.25Å; E9-I58 WeakPolarHBondContact CA-O 3.37Å; E9-I58 HydrophobicContact CG-CB 4.29Å
10I88.3Confident83.3Confident24 Ų24104.5 Ų104.512%0.12352%0.523CS..G310 helixtrans-58.3-24179.3-168.867.4000112.7D12 F13 Y22 L39 V57 I58 F64I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.46Å; I10-F13 HydrophobicContact CD1-CB 4.49Å; I10-F13 WeakPolarHBondContact O-CB 3.2Å; I10-F13 PolarHBondContact O-N 2.89Å; I10-Y22 HydrophobicContact CD1-CD1 3.52Å; I10-Y22 HydrophobicContact CD1-CD2 3.94Å; I10-Y22 HydrophobicContact CD1-CE1 3.78Å; I10-Y22 HydrophobicContact CD1-CE2 4.2Å; I10-Y22 HydrophobicContact CD1-CG 3.6Å; I10-Y22 HydrophobicContact CG1-CD1 4.08Å; I10-Y22 HydrophobicContact CG1-CE1 3.89Å; I10-L39 HydrophobicContact CD1-CD1 3.61Å; I10-V57 HydrophobicContact CB-CG1 3.99Å; I10-V57 HydrophobicContact CD1-CG1 3.61Å; I10-V57 HydrophobicContact CG1-CG1 4.37Å; I10-I58 PolarHBondContact N-O 3.31Å; I10-F64 HydrophobicContact CG1-CE2 4.38Å; I10-F64 HydrophobicContact CG1-CZ 3.96Å
11E87.8Confident83.6Confident150 Ų15099.8 Ų99.870%0.70150%0.501SS*.G310 helixtrans-67.3-23177.2-61.7-178.691.400113.4E9E9-E11 PolarHBondContact O-N 3.25Å; E9-E11 VanDerWaalsContact O-N 3.09Å
12D88.9Confident85.5Confident96 Ų9689.4 Ų89.451%0.51345%0.449SS..G310 helixtrans-90-5.9176.5-146.3-118000112.1V8 E9 I10 F24V8-D12 HydrophobicContact CG1-CB 4.26Å; E9-D12 PolarHBondContact O-N 3.38Å; I10-D12 VanDerWaalsContact C-N 3.26Å; I10-D12 PolarHBondContact O-N 3.46Å; D12-F24 HydrophobicContact CB-CE2 4.28Å; D12-F24 VanDerWaalsContact OD1-CE2 3.28Å; D12-F24 WeakPolarHBondContact OD1-CE2 3.45Å
13F88.3Confident87.3Confident15 Ų1588.1 Ų88.17%0.06643%0.43CS..SBendtrans-82.5143.4173.4-76.6-115.5000111V8 E9 I10 Y22 F24 I34 A46 V55 V57V8-F13 HydrophobicContact CB-CE2 3.83Å; V8-F13 HydrophobicContact CG1-CD2 4.12Å; V8-F13 HydrophobicContact CG1-CE2 3.58Å; E9-F13 WeakPolarHBondContact O-CD2 3.25Å; I10-F13 HydrophobicContact CD1-CB 4.49Å; I10-F13 WeakPolarHBondContact O-CB 3.2Å; I10-F13 PolarHBondContact O-N 2.89Å; F13-Y22 HydrophobicContact CB-CD1 3.99Å; F13-Y22 HydrophobicContact CB-CG 4.41Å; F13-F24 HydrophobicContact CD1-CB 3.55Å; F13-F24 HydrophobicContact CD2-CB 4.28Å; F13-F24 HydrophobicContact CD2-CD2 4.18Å; F13-F24 HydrophobicContact CE1-CB 3.35Å; F13-F24 HydrophobicContact CE1-CG 4.31Å; F13-F24 HydrophobicContact CE2-CB 4.12Å; F13-F24 HydrophobicContact CE2-CD2 4.23Å; F13-F24 HydrophobicContact CE2-CG 4.26Å; F13-F24 HydrophobicContact CG-CB 4.01Å; F13-F24 HydrophobicContact CG-CD2 4.46Å; F13-F24 HydrophobicContact CZ-CB 3.65Å; F13-F24 HydrophobicContact CZ-CG 4.13Å; F13-I34 HydrophobicContact CE1-CG2 4.37Å; F13-A46 HydrophobicContact CE1-CB 3.89Å; F13-A46 HydrophobicContact CZ-CB 4.08Å; F13-V55 HydrophobicContact CZ-CG2 4.22Å; F13-V57 HydrophobicContact CE1-CG2 4.31Å; F13-V57 HydrophobicContact CE2-CG1 4.24Å; F13-V57 HydrophobicContact CE2-CG2 4.21Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å
14E91Very high88.2Confident137 Ų13784.1 Ų84.164%0.6440%0.403SS*.EExtended strand (participates in β ladder)trans-81.8118.3167.7-72.6-163.8103.600109.8Y22 Y23E14-Y22 CarbonylContact O-C 3.58Å; E14-Y22 WeakPolarHBondContact O-CA 3.49Å; E14-Y23 PolarHBondContact N-O 3.49Å; E14-Y23 PolarHBondContact O-N 2.68Å
15F88.6Confident88.6Confident85 Ų8584.1 Ų84.137%0.37341%0.412SS..EExtended strand (participates in β ladder)trans-83.4129.4172.5-177.3-117.1000111.1E17 Y22 K36F15-E17 HydrophobicContact CD1-CG 4.02Å; F15-E17 HydrophobicContact CE1-CB 4.38Å; F15-E17 HydrophobicContact CE1-CG 3.82Å; F15-Y22 HydrophobicContact CB-CD1 3.85Å; F15-Y22 HydrophobicContact CB-CE1 3.63Å; F15-Y22 AromaticContact CD2-CD1 3.87Å; F15-Y22 HydrophobicContact CD2-CD1 3.87Å; F15-Y22 AromaticContact CD2-CD2 3.97Å; F15-Y22 HydrophobicContact CD2-CD2 3.97Å; F15-Y22 AromaticContact CD2-CE1 3.53Å; F15-Y22 HydrophobicContact CD2-CE1 3.53Å; F15-Y22 AromaticContact CD2-CE2 3.61Å; F15-Y22 HydrophobicContact CD2-CE2 3.61Å; F15-Y22 HydrophobicContact CD2-CG 4.08Å; F15-Y22 AromaticContact CD2-CZ 3.37Å; F15-Y22 HydrophobicContact CE2-CD2 4.43Å; F15-Y22 AromaticContact CE2-CE2 3.89Å; F15-Y22 HydrophobicContact CE2-CE2 3.89Å; F15-Y22 AromaticContact CE2-CZ 3.92Å; F15-Y22 HydrophobicContact CG-CD1 4.31Å; F15-Y22 AromaticContact CG-CE1 3.86Å; F15-Y22 HydrophobicContact CG-CE1 3.86Å; F15-K36 HydrophobicContact CE2-CB 4.42Å
16D88.7Confident88.9Confident54 Ų5479.7 Ų79.729%0.28939%0.392SS..EExtended strand (participates in β ladder)trans-106.6112.2174.9-172.1-87.8000109.8E18 T19 E20 A21 Y23D16-E18 VanDerWaalsContact C-N 3.25Å; D16-E18 PolarHBondContact O-N 2.9Å; D16-E18 WeakPolarHBondContact OD1-CB 3.25Å; D16-E18 PolarHBondContact OD1-N 3.15Å; D16-T19 WeakPolarHBondContact CB-OG1 3.32Å; D16-T19 VanDerWaalsContact CG-OG1 3.31Å; D16-T19 WeakPolarHBondContact OD1-CB 3.4Å; D16-T19 PolarHBondContact OD1-N 2.74Å; D16-T19 PolarHBondContact OD1-OG1 2.92Å; D16-E20 VanDerWaalsContact O-CA 3.27Å; D16-E20 WeakPolarHBondContact O-CA 3.47Å; D16-E20 PolarHBondContact O-N 2.96Å; D16-A21 PolarHBondContact N-O 3.08Å; D16-A21 PolarHBondContact O-N 2.84Å; D16-Y23 HydrophobicContact CB-CD2 3.98Å; D16-Y23 HydrophobicContact CB-CE2 3.63Å
17E84.1Confident88.9Confident169 Ų16980.2 Ų80.279%0.7940%0.401SS*.THydrogen-bonded Turntrans-70.1-21.7-177.7-56-171.89300112.9F15F15-E17 HydrophobicContact CD1-CG 4.02Å; F15-E17 HydrophobicContact CE1-CB 4.38Å; F15-E17 HydrophobicContact CE1-CG 3.82Å
18E87.4Confident88.7Confident184 Ų18477.6 Ų77.686%0.8640%0.395SS*.THydrogen-bonded Turntrans-76.7-36.2-178.8-59.3-170.67700111.6D16D16-E18 VanDerWaalsContact C-N 3.25Å; D16-E18 PolarHBondContact O-N 2.9Å; D16-E18 WeakPolarHBondContact OD1-CB 3.25Å; D16-E18 PolarHBondContact OD1-N 3.15Å
19T84.7Confident88.4Confident75 Ų7580.1 Ų80.146%0.4642%0.424SS..THydrogen-bonded Turntrans-106.2-5.1-178.556.10000113.8D16 A21 Y23D16-T19 WeakPolarHBondContact CB-OG1 3.32Å; D16-T19 VanDerWaalsContact CG-OG1 3.31Å; D16-T19 WeakPolarHBondContact OD1-CB 3.4Å; D16-T19 PolarHBondContact OD1-N 2.74Å; D16-T19 PolarHBondContact OD1-OG1 2.92Å; T19-A21 PolarHBondContact O-N 3.37Å; T19-Y23 PolarHBondContact OG1-OH 2.69Å
20E87.3Confident88.4Confident112 Ų11277.7 Ų77.752%0.52342%0.415SS..THydrogen-bonded Turntrans50.441.9-174.2-60.1-174.393.300111.9D16 K36D16-E20 VanDerWaalsContact O-CA 3.27Å; D16-E20 WeakPolarHBondContact O-CA 3.47Å; D16-E20 PolarHBondContact O-N 2.96Å; E20-K36 HydrophobicContact CB-CB 4.46Å; E20-K36 VanDerWaalsContact O-CB 3.31Å; E20-K36 WeakPolarHBondContact O-CB 3.44Å; E20-K36 PolarHBondContact O-N 3.44Å
21A90.2Very high88.6Confident6 Ų683.6 Ų83.65%0.0544%0.436CS..EExtended strand (participates in β ladder)trans-129.9147.9-174.800000112D16 T19 Y23 I34D16-A21 PolarHBondContact N-O 3.08Å; D16-A21 PolarHBondContact O-N 2.84Å; T19-A21 PolarHBondContact O-N 3.37Å; A21-Y23 HydrophobicContact CB-CE2 3.84Å; A21-I34 CarbonylContact C-O 3.54Å; A21-I34 WeakPolarHBondContact CA-O 3.33Å
22Y91.3Very high88.8Confident13 Ų1376.7 Ų76.75%0.05140%0.404CS..EExtended strand (participates in β ladder)trans-100131.9176.6-67.2-90.5000110I10 F13 E14 F15 C33 I34 K36 L39 F64I10-Y22 HydrophobicContact CD1-CD1 3.52Å; I10-Y22 HydrophobicContact CD1-CD2 3.94Å; I10-Y22 HydrophobicContact CD1-CE1 3.78Å; I10-Y22 HydrophobicContact CD1-CE2 4.2Å; I10-Y22 HydrophobicContact CD1-CG 3.6Å; I10-Y22 HydrophobicContact CG1-CD1 4.08Å; I10-Y22 HydrophobicContact CG1-CE1 3.89Å; F13-Y22 HydrophobicContact CB-CD1 3.99Å; F13-Y22 HydrophobicContact CB-CG 4.41Å; E14-Y22 CarbonylContact O-C 3.58Å; E14-Y22 WeakPolarHBondContact O-CA 3.49Å; F15-Y22 HydrophobicContact CB-CD1 3.85Å; F15-Y22 HydrophobicContact CB-CE1 3.63Å; F15-Y22 AromaticContact CD2-CD1 3.87Å; F15-Y22 HydrophobicContact CD2-CD1 3.87Å; F15-Y22 AromaticContact CD2-CD2 3.97Å; F15-Y22 HydrophobicContact CD2-CD2 3.97Å; F15-Y22 AromaticContact CD2-CE1 3.53Å; F15-Y22 HydrophobicContact CD2-CE1 3.53Å; F15-Y22 AromaticContact CD2-CE2 3.61Å; F15-Y22 HydrophobicContact CD2-CE2 3.61Å; F15-Y22 HydrophobicContact CD2-CG 4.08Å; F15-Y22 AromaticContact CD2-CZ 3.37Å; F15-Y22 HydrophobicContact CE2-CD2 4.43Å; F15-Y22 AromaticContact CE2-CE2 3.89Å; F15-Y22 HydrophobicContact CE2-CE2 3.89Å; F15-Y22 AromaticContact CE2-CZ 3.92Å; F15-Y22 HydrophobicContact CG-CD1 4.31Å; F15-Y22 AromaticContact CG-CE1 3.86Å; F15-Y22 HydrophobicContact CG-CE1 3.86Å; Y22-C33 WeakPolarHBondContact O-CA 3.38Å; Y22-I34 PolarHBondContact N-O 3.28Å; Y22-I34 PolarHBondContact O-N 3.09Å; Y22-I34 VanDerWaalsContact O-N 3.09Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.48Å; Y22-L39 HydrophobicContact CD2-CD1 3.43Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.43Å; Y22-L39 HydrophobicContact CE2-CD1 3.48Å; Y22-L39 VanDerWaalsContact CE2-CD1 3.48Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; Y22-F64 AromaticContact CE2-CE1 3.87Å; Y22-F64 HydrophobicContact CE2-CE1 3.87Å; Y22-F64 HydrophobicContact CE2-CZ 4.21Å; Y22-F64 AromaticContact CZ-CE1 3.84Å; Y22-F64 AromaticContact CZ-CZ 3.83Å; Y22-F64 VanDerWaalsContact OH-CE1 3.26Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.48Å; Y22-F64 VanDerWaalsContact OH-CZ 3.31Å; Y22-F64 WeakPolarHBondContact OH-CZ 3.4Å
23Y92.2Very high88.9Confident70 Ų7074.7 Ų74.728%0.27540%0.396SS..EExtended strand (participates in β ladder)trans-119.1137-177.1-64.8-82.9000112E14 D16 T19 A21 F32 C33E14-Y23 PolarHBondContact N-O 3.49Å; E14-Y23 PolarHBondContact O-N 2.68Å; D16-Y23 HydrophobicContact CB-CD2 3.98Å; D16-Y23 HydrophobicContact CB-CE2 3.63Å; T19-Y23 PolarHBondContact OG1-OH 2.69Å; A21-Y23 HydrophobicContact CB-CE2 3.84Å; Y23-F32 VanDerWaalsContact CA-O 3.29Å; Y23-F32 WeakPolarHBondContact CA-O 2.77Å; Y23-C33 HydrophobicContact CD1-CB 3.99Å; Y23-C33 HydrophobicContact CE1-CB 3.78Å
24F91.4Very high89Confident34 Ų3474.3 Ų74.315%0.14940%0.395CS..EExtended strand (participates in β ladder)trans-134.4134.7176.9-173.3-99.3000111.8V8 D12 F13 C26 R31 F32V8-F24 HydrophobicContact CG1-CD2 3.97Å; V8-F24 HydrophobicContact CG1-CE1 4.44Å; V8-F24 HydrophobicContact CG1-CE2 3.62Å; V8-F24 HydrophobicContact CG1-CZ 3.89Å; V8-F24 HydrophobicContact CG2-CE1 4.22Å; V8-F24 HydrophobicContact CG2-CZ 4.25Å; D12-F24 HydrophobicContact CB-CE2 4.28Å; D12-F24 VanDerWaalsContact OD1-CE2 3.28Å; D12-F24 WeakPolarHBondContact OD1-CE2 3.45Å; F13-F24 HydrophobicContact CD1-CB 3.55Å; F13-F24 HydrophobicContact CD2-CB 4.28Å; F13-F24 HydrophobicContact CD2-CD2 4.18Å; F13-F24 HydrophobicContact CE1-CB 3.35Å; F13-F24 HydrophobicContact CE1-CG 4.31Å; F13-F24 HydrophobicContact CE2-CB 4.12Å; F13-F24 HydrophobicContact CE2-CD2 4.23Å; F13-F24 HydrophobicContact CE2-CG 4.26Å; F13-F24 HydrophobicContact CG-CB 4.01Å; F13-F24 HydrophobicContact CG-CD2 4.46Å; F13-F24 HydrophobicContact CZ-CB 3.65Å; F13-F24 HydrophobicContact CZ-CG 4.13Å; F24-C26 PolarHBondContact O-N 3.2Å; F24-R31 CarbonylContact O-C 3.43Å; F24-R31 WeakPolarHBondContact O-CA 3.31Å; F24-R31 WeakPolarHBondContact O-CB 3.34Å; F24-F32 HydrophobicContact CB-CB 4.3Å; F24-F32 HydrophobicContact CB-CD2 4.45Å; F24-F32 AromaticContact CD1-CD2 3.93Å; F24-F32 HydrophobicContact CD1-CD2 3.93Å; F24-F32 HydrophobicContact CD1-CE2 4.39Å; F24-F32 PolarHBondContact N-O 3.49Å; F24-F32 VanDerWaalsContact N-O 3.07Å; F24-F32 PolarHBondContact O-N 2.88Å
25P90.6Very high89Confident88 Ų8870.3 Ų70.357%0.57138%0.38SS*.EExtended strand (participates in β ladder)trans-62.6120.8-179.725.7-34.7000111.7
26C88.4Confident89Confident9 Ų968.9 Ų68.96%0.06137%0.374CS..  trans-88.8140.3175.7-171.40000110.2F24 C28 G29 D30 F32 C48 C51F24-C26 PolarHBondContact O-N 3.2Å; C26-C28 PolarHBondContact O-N 3.28Å; C26-C28 PolarHBondContact SG-SG 3Å; C26-G29 PolarHBondContact O-N 3.37Å; C26-D30 WeakPolarHBondContact CA-O 3.46Å; C26-D30 VanDerWaalsContact CB-O 3.26Å; C26-D30 WeakPolarHBondContact CB-O 3.44Å; C26-D30 PolarHBondContact N-O 3.28Å; C26-F32 HydrophobicContact CB-CD2 3.71Å; C26-F32 HydrophobicContact CB-CE2 3.47Å; C26-F32 VanDerWaalsContact CB-CE2 3.47Å; C26-F32 HydrophobicContact CB-CZ 4.06Å; C26-F32 WeakPolarHBondContact SG-CE2 3.41Å; C26-F32 WeakPolarHBondContact SG-CZ 3.37Å; C26-C48 HydrophobicContact CB-CB 4.45Å; C26-C51 PolarHBondContact SG-SG 3.29Å
27P86Confident89Confident108 Ų10873 Ų7370%0.70139%0.391SS*.THydrogen-bonded Turntrans-62-9.817723.6-36000114.9G29P27-G29 VanDerWaalsContact C-N 3.31Å
28C85.6Confident89.2Confident63 Ų6367.9 Ų67.943%0.42637%0.369SS..THydrogen-bonded Turntrans-79.6-12.517568.80000113.5C26 C51C26-C28 PolarHBondContact O-N 3.28Å; C26-C28 PolarHBondContact SG-SG 3Å; C28-C51 HydrophobicContact CB-CB 3.88Å; C28-C51 VanDerWaalsContact SG-SG 3.6Å
29G84.9Confident89.3Confident71 Ų7159.2 Ų59.273%0.73233%0.329SS*.SBendtrans105.5-9-176.200000114.9C26 P27C26-G29 PolarHBondContact O-N 3.37Å; P27-G29 VanDerWaalsContact C-N 3.31Å
30D91.2Very high89.3Confident69 Ų6959.5 Ų59.537%0.36933%0.325SS..SBendtrans-98.3-167170.8-85.5-87.4000111.5C26 S50C26-D30 WeakPolarHBondContact CA-O 3.46Å; C26-D30 VanDerWaalsContact CB-O 3.26Å; C26-D30 WeakPolarHBondContact CB-O 3.44Å; C26-D30 PolarHBondContact N-O 3.28Å; D30-S50 WeakPolarHBondContact OD2-CB 3.48Å; D30-S50 PolarHBondContact OD2-OG 2.8Å
31R91.1Very high89.3Confident148 Ų14860.1 Ų60.156%0.55833%0.332SS*.EExtended strand (participates in β ladder)trans-126.6140.4178.1-56.9176.2-172.8-166.2-3.3110F24F24-R31 CarbonylContact O-C 3.43Å; F24-R31 WeakPolarHBondContact O-CA 3.31Å; F24-R31 WeakPolarHBondContact O-CB 3.34Å
32F92.1Very high89Confident4 Ų461.1 Ų61.12%0.01834%0.343CS..EExtended strand (participates in β ladder)trans-67.2144.7163.2-63.6-84.2000108.9Y23 F24 C26 A46 C48 L53 V55Y23-F32 VanDerWaalsContact CA-O 3.29Å; Y23-F32 WeakPolarHBondContact CA-O 2.77Å; F24-F32 HydrophobicContact CB-CB 4.3Å; F24-F32 HydrophobicContact CB-CD2 4.45Å; F24-F32 AromaticContact CD1-CD2 3.93Å; F24-F32 HydrophobicContact CD1-CD2 3.93Å; F24-F32 HydrophobicContact CD1-CE2 4.39Å; F24-F32 PolarHBondContact N-O 3.49Å; F24-F32 VanDerWaalsContact N-O 3.07Å; F24-F32 PolarHBondContact O-N 2.88Å; C26-F32 HydrophobicContact CB-CD2 3.71Å; C26-F32 HydrophobicContact CB-CE2 3.47Å; C26-F32 VanDerWaalsContact CB-CE2 3.47Å; C26-F32 HydrophobicContact CB-CZ 4.06Å; C26-F32 WeakPolarHBondContact SG-CE2 3.41Å; C26-F32 WeakPolarHBondContact SG-CZ 3.37Å; F32-A46 HydrophobicContact CB-CB 3.95Å; F32-A46 WeakPolarHBondContact CD1-O 3.49Å; F32-C48 HydrophobicContact CD1-CB 3.51Å; F32-C48 HydrophobicContact CE1-CB 3.59Å; F32-C48 HydrophobicContact CG-CB 4.1Å; F32-C48 HydrophobicContact CZ-CB 4.28Å; F32-L53 HydrophobicContact CE1-CB 3.81Å; F32-L53 WeakPolarHBondContact CE1-O 3.39Å; F32-L53 HydrophobicContact CZ-CB 3.96Å; F32-V55 HydrophobicContact CB-CG2 4.46Å; F32-V55 HydrophobicContact CD1-CG1 4.43Å; F32-V55 HydrophobicContact CD1-CG2 3.97Å; F32-V55 HydrophobicContact CD2-CG1 4.46Å; F32-V55 HydrophobicContact CD2-CG2 4.21Å; F32-V55 HydrophobicContact CE1-CG1 3.87Å; F32-V55 HydrophobicContact CE1-CG2 4.24Å; F32-V55 HydrophobicContact CE2-CG1 3.85Å; F32-V55 HydrophobicContact CE2-CG2 4.43Å; F32-V55 HydrophobicContact CG-CG2 3.96Å; F32-V55 HydrophobicContact CZ-CG1 3.55Å; F32-V55 HydrophobicContact CZ-CG2 4.47Å
33C91.4Very high88.9Confident54 Ų5465.7 Ų65.737%0.36537%0.365SS..EExtended strand (participates in β ladder)trans-128.8143.2171.756.20000110.2Y22 Y23 T47Y22-C33 WeakPolarHBondContact O-CA 3.38Å; Y23-C33 HydrophobicContact CD1-CB 3.99Å; Y23-C33 HydrophobicContact CE1-CB 3.78Å; C33-T47 PolarHBondContact N-O 3.09Å; C33-T47 VanDerWaalsContact N-O 3.08Å; C33-T47 PolarHBondContact O-N 2.79Å; C33-T47 VanDerWaalsContact O-N 3.16Å
34I91.1Very high88.7Confident8 Ų864.7 Ų64.74%0.04136%0.362CS..EExtended strand (participates in β ladder)trans-145.9137.1169.5-171.7169000108.4F13 A21 Y22 D38 L39 A46 V57F13-I34 HydrophobicContact CE1-CG2 4.37Å; A21-I34 CarbonylContact C-O 3.54Å; A21-I34 WeakPolarHBondContact CA-O 3.33Å; Y22-I34 PolarHBondContact N-O 3.28Å; Y22-I34 PolarHBondContact O-N 3.09Å; Y22-I34 VanDerWaalsContact O-N 3.09Å; I34-D38 HydrophobicContact CG1-CB 3.97Å; I34-L39 HydrophobicContact CD1-CD2 3.87Å; I34-L39 HydrophobicContact CD1-CG 4.01Å; I34-L39 HydrophobicContact CG1-CG 4.33Å; I34-L39 HydrophobicContact CG2-CD1 4.41Å; I34-A46 HydrophobicContact CB-CB 3.91Å; I34-A46 HydrophobicContact CG2-CB 4.09Å; I34-V57 HydrophobicContact CD1-CG2 4.09Å; I34-V57 HydrophobicContact CG2-CG2 4.36Å
35T90.9Very high88.7Confident53 Ų5365.2 Ų65.233%0.32537%0.368SS..EExtended strand (participates in β ladder)trans-81152.7178.671.20000110.3E37 D38 L39T35-E37 PolarHBondContact O-N 3.26Å; T35-D38 WeakPolarHBondContact O-CB 3.31Å; T35-D38 PolarHBondContact O-N 2.76Å; T35-D38 WeakPolarHBondContact OG1-CB 3.31Å; T35-D38 PolarHBondContact OG1-N 2.78Å; T35-D38 PolarHBondContact OG1-OD2 2.82Å; T35-L39 PolarHBondContact O-N 3.19Å
36K87.9Confident88.8Confident54 Ų5461 Ų6124%0.23534%0.341CS..Hα-helixtrans-59.5-39169.5-179.4-168.9162.5-1580110.9F15 E20 Y22 D38 L39 E40 F64F15-K36 HydrophobicContact CE2-CB 4.42Å; E20-K36 HydrophobicContact CB-CB 4.46Å; E20-K36 VanDerWaalsContact O-CB 3.31Å; E20-K36 WeakPolarHBondContact O-CB 3.44Å; E20-K36 PolarHBondContact O-N 3.44Å; Y22-K36 HydrophobicContact CE2-CB 4.12Å; Y22-K36 HydrophobicContact CE2-CG 4.48Å; K36-D38 VanDerWaalsContact C-N 3.29Å; K36-D38 PolarHBondContact O-N 2.81Å; K36-L39 WeakPolarHBondContact O-CB 3.27Å; K36-L39 PolarHBondContact O-N 2.98Å; K36-L39 VanDerWaalsContact O-N 3.09Å; K36-E40 VanDerWaalsContact CE-OE2 3.31Å; K36-E40 WeakPolarHBondContact CE-OE2 3.32Å; K36-E40 HydrophobicContact CG-CG 4.34Å; K36-E40 IonicContact NZ-OE2 2.76Å; K36-E40 WeakPolarHBondContact O-CG 3.41Å; K36-E40 PolarHBondContact O-N 2.85Å; K36-F64 HydrophobicContact CG-CD1 4.34Å; K36-F64 HydrophobicContact CG-CE1 4.31Å
37E88.3Confident88.9Confident140 Ų14063.9 Ų63.965%0.65436%0.358SS*.Hα-helixtrans-58.1-42.4177.2-173.9176.610500111.1T35 L39 E40 N41T35-E37 PolarHBondContact O-N 3.26Å; E37-L39 PolarHBondContact O-N 2.93Å; E37-E40 PolarHBondContact O-N 3.04Å; E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.01Å
38D90Very high89.1Confident62 Ų6258.8 Ų58.833%0.33233%0.325SS..Hα-helixtrans-57.5-49.2173.5-81.6-69.2000111.3I34 T35 K36 E40 N41 G42 E43I34-D38 HydrophobicContact CG1-CB 3.97Å; T35-D38 WeakPolarHBondContact O-CB 3.31Å; T35-D38 PolarHBondContact O-N 2.76Å; T35-D38 WeakPolarHBondContact OG1-CB 3.31Å; T35-D38 PolarHBondContact OG1-N 2.78Å; T35-D38 PolarHBondContact OG1-OD2 2.82Å; K36-D38 VanDerWaalsContact C-N 3.29Å; K36-D38 PolarHBondContact O-N 2.81Å; D38-E40 VanDerWaalsContact C-N 3.32Å; D38-E40 PolarHBondContact O-N 2.89Å; D38-N41 CarbonylContact O-C 3.55Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 PolarHBondContact O-N 2.61Å; D38-N41 VanDerWaalsContact O-N 3.08Å; D38-G42 PolarHBondContact O-N 3.02Å; D38-G42 VanDerWaalsContact O-N 3.14Å; D38-E43 CarbonylContact C-O 3.58Å; D38-E43 HydrophobicContact CB-CB 3.87Å; D38-E43 WeakPolarHBondContact O-CA 3.39Å; D38-E43 WeakPolarHBondContact O-CB 3.45Å; D38-E43 PolarHBondContact O-N 3.16Å
39L87.9Confident89.2Confident2 Ų260.4 Ų60.41%0.0134%0.335CS..Hα-helixtrans-60.7-39.7177.8-68.6163.7000112.3I10 Y22 I34 T35 K36 E37 N41 G42 E43 V57 Y59 F64I10-L39 HydrophobicContact CD1-CD1 3.61Å; Y22-L39 HydrophobicContact CD2-CD1 3.43Å; Y22-L39 VanDerWaalsContact CD2-CD1 3.43Å; Y22-L39 HydrophobicContact CE2-CD1 3.48Å; Y22-L39 VanDerWaalsContact CE2-CD1 3.48Å; Y22-L39 HydrophobicContact CG-CD1 4.32Å; I34-L39 HydrophobicContact CD1-CD2 3.87Å; I34-L39 HydrophobicContact CD1-CG 4.01Å; I34-L39 HydrophobicContact CG1-CG 4.33Å; I34-L39 HydrophobicContact CG2-CD1 4.41Å; T35-L39 PolarHBondContact O-N 3.19Å; K36-L39 WeakPolarHBondContact O-CB 3.27Å; K36-L39 PolarHBondContact O-N 2.98Å; K36-L39 VanDerWaalsContact O-N 3.09Å; E37-L39 PolarHBondContact O-N 2.93Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 2.9Å; L39-G42 PolarHBondContact O-N 3.09Å; L39-G42 VanDerWaalsContact O-N 3.1Å; L39-E43 WeakPolarHBondContact CA-O 3.41Å; L39-V57 HydrophobicContact CD2-CB 4.38Å; L39-V57 HydrophobicContact CD2-CG1 4.11Å; L39-Y59 HydrophobicContact CB-CE2 4.14Å; L39-Y59 HydrophobicContact CD2-CD1 3.59Å; L39-Y59 HydrophobicContact CD2-CD2 4.25Å; L39-Y59 HydrophobicContact CD2-CE1 3.63Å; L39-Y59 HydrophobicContact CD2-CE2 4.22Å; L39-Y59 HydrophobicContact CD2-CG 3.92Å; L39-Y59 WeakPolarHBondContact O-CE2 3.28Å; L39-Y59 VanDerWaalsContact O-CZ 3.3Å; L39-Y59 PolarHBondContact O-OH 3.38Å; L39-F64 HydrophobicContact CB-CD1 4.04Å; L39-F64 HydrophobicContact CB-CE1 4.2Å; L39-F64 HydrophobicContact CD1-CE1 3.91Å; L39-F64 HydrophobicContact CD1-CZ 4.19Å
40E85.6Confident89.3Confident82 Ų8260.6 Ų60.638%0.38333%0.325SS..Hα-helixtrans-66.1-33.2175.3-71.2178.7103.500112.3K36 E37 D38 G42 F64K36-E40 VanDerWaalsContact CE-OE2 3.31Å; K36-E40 WeakPolarHBondContact CE-OE2 3.32Å; K36-E40 HydrophobicContact CG-CG 4.34Å; K36-E40 IonicContact NZ-OE2 2.76Å; K36-E40 WeakPolarHBondContact O-CG 3.41Å; K36-E40 PolarHBondContact O-N 2.85Å; E37-E40 PolarHBondContact O-N 3.04Å; D38-E40 VanDerWaalsContact C-N 3.32Å; D38-E40 PolarHBondContact O-N 2.89Å; E40-G42 PolarHBondContact O-N 3.08Å; E40-F64 HydrophobicContact CG-CB 4.38Å; E40-F64 HydrophobicContact CG-CD1 4.48Å
41N87.2Confident89Confident125 Ų12559.3 Ų59.367%0.66832%0.321SS*.Hα-helixtrans-75.3-9.9173.4-79.7-82.4000113.2E37 D38 L39E37-N41 PolarHBondContact O-N 3.06Å; E37-N41 PolarHBondContact O-ND2 3.01Å; D38-N41 CarbonylContact O-C 3.55Å; D38-N41 WeakPolarHBondContact O-CB 3.26Å; D38-N41 PolarHBondContact O-N 2.61Å; D38-N41 VanDerWaalsContact O-N 3.08Å; L39-N41 VanDerWaalsContact C-N 3.32Å; L39-N41 PolarHBondContact O-N 2.9Å
42G83.9Confident88.5Confident27 Ų2757 Ų5728%0.27833%0.328SS..THydrogen-bonded Turntrans97.24.7-177.400000114.4D38 L39 E40 Y59D38-G42 PolarHBondContact O-N 3.02Å; D38-G42 VanDerWaalsContact O-N 3.14Å; L39-G42 PolarHBondContact O-N 3.09Å; L39-G42 VanDerWaalsContact O-N 3.1Å; E40-G42 PolarHBondContact O-N 3.08Å; G42-Y59 VanDerWaalsContact CA-OH 3.23Å; G42-Y59 WeakPolarHBondContact CA-OH 3.31Å
43E88.7Confident88.3Confident109 Ų10959.4 Ų59.451%0.50934%0.341SS..  trans-81.5125.6177.8-69.1-80.986.800109.8D38 L39D38-E43 CarbonylContact C-O 3.58Å; D38-E43 HydrophobicContact CB-CB 3.87Å; D38-E43 WeakPolarHBondContact O-CA 3.39Å; D38-E43 WeakPolarHBondContact O-CB 3.45Å; D38-E43 PolarHBondContact O-N 3.16Å; L39-E43 WeakPolarHBondContact CA-O 3.41Å
44E89.3Confident88.3Confident48 Ų4858.6 Ų58.622%0.22433%0.332CS..  trans-122.926.6-17167.6-17274.500111.9K56 V57 Y59 K61E44-K56 HydrophobicContact CG-CG 4.25Å; E44-K56 CarbonylContact O-C 3.53Å; E44-K56 WeakPolarHBondContact O-CA 3.43Å; E44-K56 WeakPolarHBondContact OE2-CE 3.42Å; E44-K56 IonicContact OE2-NZ 3.91Å; E44-V57 PolarHBondContact O-N 3.19Å; E44-Y59 HydrophobicContact CB-CD1 4.33Å; E44-Y59 HydrophobicContact CB-CE1 3.72Å; E44-K61 IonicContact OE1-NZ 3.08Å; E44-K61 PolarHBondContact OE1-NZ 2.87Å; E44-K61 VanDerWaalsContact OE1-NZ 3.08Å
45V90.9Very high88.3Confident45 Ų4558.4 Ų58.427%0.27333%0.331SS..EExtended strand (participates in β ladder)trans-116.3100.3-170.7-172.70000109.8F4 I54F4-V45 HydrophobicContact CE1-CG1 4.31Å; F4-V45 HydrophobicContact CE1-CG2 3.99Å; V45-I54 HydrophobicContact CG1-CB 3.73Å; V45-I54 HydrophobicContact CG1-CD1 4.3Å; V45-I54 HydrophobicContact CG1-CG2 3.72Å
46A91.6Very high88.3Confident0 Ų058.3 Ų58.30%033%0.327CS..EExtended strand (participates in β ladder)trans-83.3130.5173.900000109.7F13 F32 I34 I54 V55 V57F13-A46 HydrophobicContact CE1-CB 3.89Å; F13-A46 HydrophobicContact CZ-CB 4.08Å; F32-A46 HydrophobicContact CB-CB 3.95Å; F32-A46 WeakPolarHBondContact CD1-O 3.49Å; I34-A46 HydrophobicContact CB-CB 3.91Å; I34-A46 HydrophobicContact CG2-CB 4.09Å; A46-I54 VanDerWaalsContact O-CA 3.31Å; A46-I54 WeakPolarHBondContact O-CA 3.4Å; A46-V55 HydrophobicContact CB-CG2 3.81Å; A46-V55 PolarHBondContact N-O 2.95Å; A46-V55 PolarHBondContact O-N 3.38Å; A46-V57 HydrophobicContact CB-CG2 3.73Å
47T90.8Very high88.4Confident69 Ų6955.8 Ų55.842%0.42332%0.315SS..EExtended strand (participates in β ladder)trans-115.8138.7-172.4-42.70000109.8C33 I54C33-T47 PolarHBondContact N-O 3.09Å; C33-T47 VanDerWaalsContact N-O 3.08Å; C33-T47 PolarHBondContact O-N 2.79Å; C33-T47 VanDerWaalsContact O-N 3.16Å; T47-I54 HydrophobicContact CG2-CG2 3.89Å
48C91.1Very high88.6Confident1 Ų152.2 Ų52.21%0.00730%0.3CS..  trans-102.4127.2176.5179.20000111C26 F32 S50 C51 S52 L53C26-C48 HydrophobicContact CB-CB 4.45Å; F32-C48 HydrophobicContact CD1-CB 3.51Å; F32-C48 HydrophobicContact CE1-CB 3.59Å; F32-C48 HydrophobicContact CG-CB 4.1Å; F32-C48 HydrophobicContact CZ-CB 4.28Å; C48-S50 VanDerWaalsContact C-N 3.32Å; C48-S50 PolarHBondContact O-N 2.88Å; C48-C51 WeakPolarHBondContact CB-SG 3.15Å; C48-C51 PolarHBondContact SG-SG 3.34Å; C48-S52 WeakPolarHBondContact O-CA 3.37Å; C48-S52 PolarHBondContact O-N 2.86Å; C48-L53 PolarHBondContact N-O 3.38Å
49P87.9Confident88.5Confident98 Ų9850.4 Ų50.464%0.63629%0.289SS*.THydrogen-bonded Turntrans-66.9-27.5-176.225.7-34.2000114.1
50S86.1Confident88.3Confident75 Ų7554.1 Ų54.152%0.52431%0.309SS..THydrogen-bonded Turntrans-86.2-37.4-178-85.10000115.6D30 C48D30-S50 WeakPolarHBondContact OD2-CB 3.48Å; D30-S50 PolarHBondContact OD2-OG 2.8Å; C48-S50 VanDerWaalsContact C-N 3.32Å; C48-S50 PolarHBondContact O-N 2.88Å
51C84.4Confident88Confident41 Ų4154.2 Ų54.228%0.27731%0.308SS..THydrogen-bonded Turntrans-109.9-5.3-173.758.60000113.3C26 C28 C48 L53C26-C51 PolarHBondContact SG-SG 3.29Å; C28-C51 HydrophobicContact CB-CB 3.88Å; C28-C51 VanDerWaalsContact SG-SG 3.6Å; C48-C51 WeakPolarHBondContact CB-SG 3.15Å; C48-C51 PolarHBondContact SG-SG 3.34Å; C51-L53 HydrophobicContact CB-CD1 4.14Å; C51-L53 HydrophobicContact CB-CG 3.98Å; C51-L53 PolarHBondContact O-N 2.68Å; C51-L53 VanDerWaalsContact SG-CB 3.55Å; C51-L53 VanDerWaalsContact SG-CG 3.57Å
52S80.7Confident87.6Confident100 Ų10055.3 Ų55.370%0.69931%0.309SS*.  trans53.416.8-173.5-49.70000113.5C48C48-S52 WeakPolarHBondContact O-CA 3.37Å; C48-S52 PolarHBondContact O-N 2.86Å
53L88.8Confident87Confident55 Ų5559.7 Ų59.729%0.28833%0.326SS..  trans-69.9152.2172-68175000108.6F32 C48 C51F32-L53 HydrophobicContact CE1-CB 3.81Å; F32-L53 WeakPolarHBondContact CE1-O 3.39Å; F32-L53 HydrophobicContact CZ-CB 3.96Å; C48-L53 PolarHBondContact N-O 3.38Å; C51-L53 HydrophobicContact CB-CD1 4.14Å; C51-L53 HydrophobicContact CB-CG 3.98Å; C51-L53 PolarHBondContact O-N 2.68Å; C51-L53 VanDerWaalsContact SG-CB 3.55Å; C51-L53 VanDerWaalsContact SG-CG 3.57Å
54I90.9Very high86.2Confident36 Ų3655.3 Ų55.319%0.18531%0.305CS..EExtended strand (participates in β ladder)trans-126135.9173.652.7170.9000108.8F4 H5 V45 A46 T47F4-I54 HydrophobicContact CD1-CD1 4Å; F4-I54 HydrophobicContact CD1-CG1 4.22Å; F4-I54 HydrophobicContact CE1-CD1 4.03Å; H5-I54 PolarHBondContact N-O 3.1Å; V45-I54 HydrophobicContact CG1-CB 3.73Å; V45-I54 HydrophobicContact CG1-CD1 4.3Å; V45-I54 HydrophobicContact CG1-CG2 3.72Å; A46-I54 VanDerWaalsContact O-CA 3.31Å; A46-I54 WeakPolarHBondContact O-CA 3.4Å; T47-I54 HydrophobicContact CG2-CG2 3.89Å
55V91.2Very high85.1Confident4 Ų460 Ų602%0.02433%0.328CS..EExtended strand (participates in β ladder)trans-116.5150.6169.6-63.40000108.8H5 D6 F13 F32 A46H5-V55 HydrophobicContact CB-CG1 4.33Å; D6-V55 HydrophobicContact CB-CG1 4.33Å; D6-V55 WeakPolarHBondContact O-CA 3.23Å; F13-V55 HydrophobicContact CZ-CG2 4.22Å; F32-V55 HydrophobicContact CB-CG2 4.46Å; F32-V55 HydrophobicContact CD1-CG1 4.43Å; F32-V55 HydrophobicContact CD1-CG2 3.97Å; F32-V55 HydrophobicContact CD2-CG1 4.46Å; F32-V55 HydrophobicContact CD2-CG2 4.21Å; F32-V55 HydrophobicContact CE1-CG1 3.87Å; F32-V55 HydrophobicContact CE1-CG2 4.24Å; F32-V55 HydrophobicContact CE2-CG1 3.85Å; F32-V55 HydrophobicContact CE2-CG2 4.43Å; F32-V55 HydrophobicContact CG-CG2 3.96Å; F32-V55 HydrophobicContact CZ-CG1 3.55Å; F32-V55 HydrophobicContact CZ-CG2 4.47Å; A46-V55 HydrophobicContact CB-CG2 3.81Å; A46-V55 PolarHBondContact N-O 2.95Å; A46-V55 PolarHBondContact O-N 3.38Å
56K91.2Very high83.3Confident52 Ų5261.3 Ų61.323%0.22634%0.34CS..EExtended strand (participates in β ladder)trans-93.3126178.1-176.4174166-146.10109F4 D6 E7 V8 E44 I58F4-K56 HydrophobicContact CB-CB 4.45Å; F4-K56 HydrophobicContact CD1-CB 3.91Å; F4-K56 HydrophobicContact CE1-CB 4.34Å; F4-K56 HydrophobicContact CG-CB 4.1Å; D6-K56 PolarHBondContact O-N 3.41Å; E7-K56 CarbonylContact C-O 3.56Å; E7-K56 WeakPolarHBondContact CA-O 3.16Å; E7-K56 HydrophobicContact CG-CB 4.09Å; E7-K56 HydrophobicContact CG-CD 4.24Å; E7-K56 WeakPolarHBondContact OE1-CD 3.46Å; E7-K56 IonicContact OE1-NZ 3.93Å; E7-K56 PolarHBondContact OE1-NZ 3.43Å; V8-K56 PolarHBondContact N-O 3.14Å; E44-K56 HydrophobicContact CG-CG 4.25Å; E44-K56 CarbonylContact O-C 3.53Å; E44-K56 WeakPolarHBondContact O-CA 3.43Å; E44-K56 WeakPolarHBondContact OE2-CE 3.42Å; E44-K56 IonicContact OE2-NZ 3.91Å; K56-I58 HydrophobicContact CD-CD1 4.42Å; K56-I58 HydrophobicContact CG-CD1 4.21Å
57V90.8Very high81.5Confident0 Ų065.6 Ų65.60%038%0.384CS..EExtended strand (participates in β ladder)trans-92.2117-177.5-172.90000108.3V8 I10 F13 I34 L39 E44 A46V8-V57 CarbonylContact O-C 3.54Å; V8-V57 WeakPolarHBondContact O-CA 3.35Å; I10-V57 HydrophobicContact CB-CG1 3.99Å; I10-V57 HydrophobicContact CD1-CG1 3.61Å; I10-V57 HydrophobicContact CG1-CG1 4.37Å; F13-V57 HydrophobicContact CE1-CG2 4.31Å; F13-V57 HydrophobicContact CE2-CG1 4.24Å; F13-V57 HydrophobicContact CE2-CG2 4.21Å; F13-V57 HydrophobicContact CZ-CG2 3.75Å; I34-V57 HydrophobicContact CD1-CG2 4.09Å; I34-V57 HydrophobicContact CG2-CG2 4.36Å; L39-V57 HydrophobicContact CD2-CB 4.38Å; L39-V57 HydrophobicContact CD2-CG1 4.11Å; E44-V57 PolarHBondContact O-N 3.19Å; A46-V57 HydrophobicContact CB-CG2 3.73Å
58I91.2Very high79.2Confident65 Ų6570.5 Ų70.533%0.33340%0.402SS..EExtended strand (participates in β ladder)trans-89.2113.2176-51.3-56.7000107.5E7 V8 E9 I10 K56E7-I58 HydrophobicContact CB-CD1 4.22Å; E7-I58 HydrophobicContact CB-CG1 4.16Å; V8-I58 PolarHBondContact O-N 3.4Å; E9-I58 WeakPolarHBondContact CA-O 3.37Å; E9-I58 HydrophobicContact CG-CB 4.29Å; I10-I58 PolarHBondContact N-O 3.31Å; K56-I58 HydrophobicContact CD-CD1 4.42Å; K56-I58 HydrophobicContact CG-CD1 4.21Å
59Y87.5Confident77.1Confident24 Ų2476 Ų769%0.09444%0.436CS..  trans-141.8156.517973.8-72.4000110.3L39 G42 E44 K61 F64L39-Y59 HydrophobicContact CB-CE2 4.14Å; L39-Y59 HydrophobicContact CD2-CD1 3.59Å; L39-Y59 HydrophobicContact CD2-CD2 4.25Å; L39-Y59 HydrophobicContact CD2-CE1 3.63Å; L39-Y59 HydrophobicContact CD2-CE2 4.22Å; L39-Y59 HydrophobicContact CD2-CG 3.92Å; L39-Y59 WeakPolarHBondContact O-CE2 3.28Å; L39-Y59 VanDerWaalsContact O-CZ 3.3Å; L39-Y59 PolarHBondContact O-OH 3.38Å; G42-Y59 VanDerWaalsContact CA-OH 3.23Å; G42-Y59 WeakPolarHBondContact CA-OH 3.31Å; E44-Y59 HydrophobicContact CB-CD1 4.33Å; E44-Y59 HydrophobicContact CB-CE1 3.72Å; Y59-K61 HydrophobicContact CD2-CG 4.38Å; Y59-K61 HydrophobicContact CE1-CG 4.48Å; Y59-K61 HydrophobicContact CE2-CB 4.41Å; Y59-K61 HydrophobicContact CE2-CG 3.73Å; Y59-F64 HydrophobicContact CD2-CB 4.41Å; Y59-F64 AromaticContact CD2-CD2 3.51Å; Y59-F64 HydrophobicContact CD2-CD2 3.51Å; Y59-F64 AromaticContact CD2-CE2 3.91Å; Y59-F64 HydrophobicContact CD2-CE2 3.91Å; Y59-F64 HydrophobicContact CD2-CG 4.01Å; Y59-F64 HydrophobicContact CE2-CB 4.28Å; Y59-F64 HydrophobicContact CE2-CD2 4.2Å; Y59-F64 HydrophobicContact CE2-CG 4.27Å; Y59-F64 HydrophobicContact CG-CD2 4.44Å; Y59-F64 HydrophobicContact CG-CE2 4.44Å
60D85.4Confident75.2Confident80 Ų8076.6 Ų76.643%0.42843%0.433SS..  trans-87.4114.9175.2-162.1-73000110E62 L63D60-E62 PolarHBondContact O-N 2.95Å; D60-E62 VanDerWaalsContact OD1-CB 3.25Å; D60-E62 WeakPolarHBondContact OD1-CB 3.29Å; D60-E62 PolarHBondContact OD1-N 3.33Å; D60-L63 HydrophobicContact CB-CB 4.45Å; D60-L63 HydrophobicContact CB-CD1 3.84Å; D60-L63 HydrophobicContact CB-CG 3.93Å; D60-L63 PolarHBondContact O-N 3.06Å
61K78.2Confident73.3Confident85 Ų8581.3 Ų81.337%0.3745%0.446SS..Hα-helixtrans-64.2-26.5-176.9-62.5-173.9-175.7-164.30111.4E44 Y59 L63 F64 M65E44-K61 IonicContact OE1-NZ 3.08Å; E44-K61 PolarHBondContact OE1-NZ 2.87Å; E44-K61 VanDerWaalsContact OE1-NZ 3.08Å; Y59-K61 HydrophobicContact CD2-CG 4.38Å; Y59-K61 HydrophobicContact CE1-CG 4.48Å; Y59-K61 HydrophobicContact CE2-CB 4.41Å; Y59-K61 HydrophobicContact CE2-CG 3.73Å; K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.07Å; K61-F64 PolarHBondContact O-N 2.78Å; K61-M65 HydrophobicContact CB-SD 4.46Å; K61-M65 VanDerWaalsContact O-CB 3.25Å; K61-M65 WeakPolarHBondContact O-CB 3.46Å; K61-M65 WeakPolarHBondContact O-CG 3.45Å; K61-M65 PolarHBondContact O-N 3.21Å
62E78.2Confident71.5Confident148 Ų14883.1 Ų83.169%0.69246%0.464SS*.Hα-helixtrans-69.6-32.1180-53.7-171.779.100111.5D60 S66D60-E62 PolarHBondContact O-N 2.95Å; D60-E62 VanDerWaalsContact OD1-CB 3.25Å; D60-E62 WeakPolarHBondContact OD1-CB 3.29Å; D60-E62 PolarHBondContact OD1-N 3.33Å; E62-S66 WeakPolarHBondContact O-CB 3.17Å; E62-S66 PolarHBondContact O-N 2.81Å; E62-S66 VanDerWaalsContact O-N 3.15Å; E62-S66 PolarHBondContact O-OG 3.24Å
63L72.8Confident70Confident119 Ų11983 Ų8362%0.62346%0.46SS*.Hα-helixtrans-70.6-32.5176.2-63.4179.5000113.2D60 K61D60-L63 HydrophobicContact CB-CB 4.45Å; D60-L63 HydrophobicContact CB-CD1 3.84Å; D60-L63 HydrophobicContact CB-CG 3.93Å; D60-L63 PolarHBondContact O-N 3.06Å; K61-L63 VanDerWaalsContact C-N 3.31Å; K61-L63 PolarHBondContact O-N 3.07Å
64F71.2Confident68.3Low17 Ų1785.5 Ų85.58%0.07548%0.483CS..Hα-helixtrans-90.2-31.7179.6-77.3-99.7000112.5I10 Y22 K36 L39 E40 Y59 K61I10-F64 HydrophobicContact CG1-CE2 4.38Å; I10-F64 HydrophobicContact CG1-CZ 3.96Å; Y22-F64 AromaticContact CE2-CE1 3.87Å; Y22-F64 HydrophobicContact CE2-CE1 3.87Å; Y22-F64 HydrophobicContact CE2-CZ 4.21Å; Y22-F64 AromaticContact CZ-CE1 3.84Å; Y22-F64 AromaticContact CZ-CZ 3.83Å; Y22-F64 VanDerWaalsContact OH-CE1 3.26Å; Y22-F64 WeakPolarHBondContact OH-CE1 3.48Å; Y22-F64 VanDerWaalsContact OH-CZ 3.31Å; Y22-F64 WeakPolarHBondContact OH-CZ 3.4Å; K36-F64 HydrophobicContact CG-CD1 4.34Å; K36-F64 HydrophobicContact CG-CE1 4.31Å; L39-F64 HydrophobicContact CB-CD1 4.04Å; L39-F64 HydrophobicContact CB-CE1 4.2Å; L39-F64 HydrophobicContact CD1-CE1 3.91Å; L39-F64 HydrophobicContact CD1-CZ 4.19Å; E40-F64 HydrophobicContact CG-CB 4.38Å; E40-F64 HydrophobicContact CG-CD1 4.48Å; Y59-F64 HydrophobicContact CD2-CB 4.41Å; Y59-F64 AromaticContact CD2-CD2 3.51Å; Y59-F64 HydrophobicContact CD2-CD2 3.51Å; Y59-F64 AromaticContact CD2-CE2 3.91Å; Y59-F64 HydrophobicContact CD2-CE2 3.91Å; Y59-F64 HydrophobicContact CD2-CG 4.01Å; Y59-F64 HydrophobicContact CE2-CB 4.28Å; Y59-F64 HydrophobicContact CE2-CD2 4.2Å; Y59-F64 HydrophobicContact CE2-CG 4.27Å; Y59-F64 HydrophobicContact CG-CD2 4.44Å; Y59-F64 HydrophobicContact CG-CE2 4.44Å; K61-F64 PolarHBondContact O-N 2.78Å
65M65.5Low66.3Low145 Ų14592.1 Ų92.171%0.71451%0.513SS*.Hα-helixtrans-81.2-20178.6-65.7-173.995.600113.7K61K61-M65 HydrophobicContact CB-SD 4.46Å; K61-M65 VanDerWaalsContact O-CB 3.25Å; K61-M65 WeakPolarHBondContact O-CB 3.46Å; K61-M65 WeakPolarHBondContact O-CG 3.45Å; K61-M65 PolarHBondContact O-N 3.21Å
66S53.6Low64.4Low74 Ų7497.1 Ų97.152%0.51755%0.546SS..SBendtrans-105.798.2177.5-47.70000108.3E62 E68E62-S66 WeakPolarHBondContact O-CB 3.17Å; E62-S66 PolarHBondContact O-N 2.81Å; E62-S66 VanDerWaalsContact O-N 3.15Å; E62-S66 PolarHBondContact O-OG 3.24Å; S66-E68 PolarHBondContact O-N 2.88Å
67G54Low62.3Low90 Ų90104.2 Ų104.293%0.92858%0.576SS**  trans-64.660.4-177.300000115.6
68E43.5Very low60.7Low172 Ų172110.3 Ų110.380%0.80461%0.608SS**SBendtrans-12693.4174.7-159.7164.4100.200109S66S66-E68 PolarHBondContact O-N 2.88Å
69T46.3Very low58.9Low117 Ų117116.3 Ų116.372%0.71864%0.635SS**  trans46.195.6157.758.60000117.1E71T69-E71 PolarHBondContact O-N 3.03Å
70I47.7Very low57.5Low110 Ų110123.5 Ų123.556%0.56466%0.662SS**  trans-74.386.4155.8-52.9162.8000106.3A72I70-A72 PolarHBondContact O-N 2.96Å
71E45.9Very low56.3Low174 Ų174125.5 Ų125.581%0.81367%0.671SS**  trans-64.3109.7154.1-80.9-164.386.100106.1T69 P73T69-E71 PolarHBondContact O-N 3.03Å; E71-P73 WeakPolarHBondContact O-CD 3.04Å; E71-P73 VanDerWaalsContact O-N 3.11Å
72A46.6Very low55.5Low78 Ų78129.5 Ų129.565%0.64569%0.691SS**  trans-51.8117171.900000109.4I70 S74I70-A72 PolarHBondContact O-N 2.96Å; A72-S74 PolarHBondContact O-N 2.82Å
73P48.8Very low54.5Low97 Ų97132.2 Ų132.263%0.6372%0.718SS**  trans-68.192.516127.8-28.8000106.6E71 E75E71-P73 WeakPolarHBondContact O-CD 3.04Å; E71-P73 VanDerWaalsContact O-N 3.11Å; P73-E75 PolarHBondContact O-N 3.17Å
74S53.4Low53.6Low108 Ų108132.9 Ų132.976%0.75572%0.723SS**  trans-53.599.6161.144.50000109.1A72 P76A72-S74 PolarHBondContact O-N 2.82Å; S74-P76 WeakPolarHBondContact O-CD 3.26Å
75E48.9Very low52.6Low176 Ų176139 Ų13982%0.82276%0.757SS**  trans-96.9108.5158.9-84.1-166.970.400109.8P73 K77P73-E75 PolarHBondContact O-N 3.17Å; E75-K77 PolarHBondContact O-N 2.55Å
76P52.3Low51.9Low109 Ų109138.7 Ų138.771%0.70876%0.76SS**  trans-71.7111.616830-27.8000106.3S74 L78S74-P76 WeakPolarHBondContact O-CD 3.26Å; P76-L78 PolarHBondContact O-N 2.7Å
77K46.2Very low51.8Low200 Ų200142.5 Ų142.587%0.8777%0.774SS**  trans-68.371.6161.4-96.2175.2178.1155.30109E75 Q79E75-K77 PolarHBondContact O-N 2.55Å; K77-Q79 PolarHBondContact O-N 3.49Å
78L57.7Low51.7Low128 Ų128145.8 Ų145.867%0.6776%0.764SS**  trans-77.986.3164.3-171.7107.2000107.3P76 R80P76-L78 PolarHBondContact O-N 2.7Å; L78-R80 HydrophobicContact CD1-CG 4.24Å; L78-R80 HydrophobicContact CD2-CB 4.48Å; L78-R80 HydrophobicContact CD2-CG 3.88Å; L78-R80 HydrophobicContact CG-CG 3.93Å; L78-R80 PolarHBondContact O-N 3.22Å
79Q52.5Low52.2Low191 Ų191144 Ų14489%0.89376%0.762SS**  trans-95.884.3156.4-160.7162.6-24.600109.1K77K77-Q79 PolarHBondContact O-N 3.49Å
80R59.6Low52.6Low176 Ų176145.9 Ų145.966%0.66477%0.765SS**  trans-62.2133.6161.2-83.7173.573.4172.52.2109L78L78-R80 HydrophobicContact CD1-CG 4.24Å; L78-R80 HydrophobicContact CD2-CB 4.48Å; L78-R80 HydrophobicContact CD2-CG 3.88Å; L78-R80 HydrophobicContact CG-CG 3.93Å; L78-R80 PolarHBondContact O-N 3.22Å
81I59.9Low53Low122 Ų122148.7 Ų148.763%0.62678%0.78SS**  trans62.6141.8140.472.2176.9000117.1
82Q60Low53.6Low168 Ų168146.6 Ų146.679%0.78578%0.778SS**  cis-160.6150.336.4-61162.631.200105.6
83T57.4Low54.3Low206 Ų206152.8 Ų152.8100%1.26479%0.79SS**  cis-160.8042.3-76.90000108.5

Retrieved 83 of 83 residues in 89.5 ms (Link to these results)

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