A0A077ZCF9_TRITR Loading...

Pkinase Tyr domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZCF9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 82 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
1M83.8Confident90.4Very high66 Ų6676.8 Ų76.833%0.32545%0.446SS..  0-57.50-173171-70.500110.3E3 V4 L5 L46 L49 M50 L71M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.29Å; M1-V4 WeakPolarHBondContact O-CB 3.19Å; M1-V4 PolarHBondContact O-N 3.36Å; M1-V4 VanDerWaalsContact O-N 3.07Å; M1-L5 HydrophobicContact CG-CD1 4.3Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.13Å; M1-L46 HydrophobicContact CE-CD1 3.77Å; M1-L46 HydrophobicContact CG-CD1 4.32Å; M1-L46 HydrophobicContact SD-CD1 3.44Å; M1-L46 WeakPolarHBondContact SD-CD1 3.47Å; M1-L46 HydrophobicContact SD-CG 4.05Å; M1-L49 HydrophobicContact CE-CD2 3.74Å; M1-L49 HydrophobicContact CE-CG 3.88Å; M1-L49 HydrophobicContact SD-CG 4.25Å; M1-M50 HydrophobicContact CB-CG 4.17Å; M1-M50 HydrophobicContact CG-CB 4.22Å; M1-M50 HydrophobicContact CG-CG 4.04Å; M1-M50 HydrophobicContact SD-CB 3.65Å; M1-M50 HydrophobicContact SD-CG 4.11Å; M1-L71 HydrophobicContact CE-CD1 4.32Å; M1-L71 HydrophobicContact CE-CD2 3.93Å; M1-L71 HydrophobicContact CE-CG 4.45Å
2W91.5Very high90.7Very high32 Ų3274.2 Ų74.212%0.12142%0.424CS..Hα-helixtrans-51.7-51.6172.9-171.888.1000112.4V4 L5 T6 E9 P11 L36 E37 M50W2-V4 PolarHBondContact O-N 3.03Å; W2-V4 VanDerWaalsContact O-N 3.13Å; W2-L5 CarbonylContact O-C 3.58Å; W2-L5 WeakPolarHBondContact O-CA 3.35Å; W2-L5 WeakPolarHBondContact O-CB 3.35Å; W2-L5 PolarHBondContact O-N 3.16Å; W2-T6 HydrophobicContact CD2-CG2 3.92Å; W2-T6 HydrophobicContact CE3-CG2 4.14Å; W2-T6 HydrophobicContact CH2-CG2 3.8Å; W2-T6 HydrophobicContact CZ2-CG2 3.58Å; W2-T6 HydrophobicContact CZ3-CG2 4.08Å; W2-T6 WeakPolarHBondContact CZ3-OG1 3.18Å; W2-T6 PolarHBondContact O-N 2.94Å; W2-T6 PolarHBondContact O-OG1 3.31Å; W2-T6 VanDerWaalsContact O-OG1 3.11Å; W2-E9 HydrophobicContact CH2-CB 3.81Å; W2-E9 HydrophobicContact CZ3-CB 3.83Å; W2-E9 WeakPolarHBondContact CZ3-O 3.44Å; W2-P11 HydrophobicContact CE3-CB 4.41Å; W2-P11 HydrophobicContact CZ3-CB 4.39Å; W2-L36 HydrophobicContact CB-CD1 4.18Å; W2-L36 HydrophobicContact CD2-CB 4.48Å; W2-L36 HydrophobicContact CD2-CD1 3.91Å; W2-L36 HydrophobicContact CD2-CD2 4.46Å; W2-L36 HydrophobicContact CD2-CG 4.5Å; W2-L36 HydrophobicContact CE3-CD1 4.24Å; W2-L36 HydrophobicContact CG-CB 4.15Å; W2-L36 HydrophobicContact CG-CD1 3.87Å; W2-L36 HydrophobicContact CZ2-CD2 4.29Å; W2-E37 PolarHBondContact NE1-O 2.96Å; W2-M50 HydrophobicContact CB-SD 3.69Å; W2-M50 HydrophobicContact CG-SD 4.17Å
3E92.4Very high90.8Very high107 Ų10772.4 Ų72.450%0.542%0.423SS..Hα-helixtrans-57.4-29.8177.6-63.3168.5157.400113.8M1 T6 D7 G8M1-E3 VanDerWaalsContact C-N 3.34Å; M1-E3 PolarHBondContact O-N 3.29Å; E3-T6 WeakPolarHBondContact CA-OG1 3.2Å; E3-D7 PolarHBondContact O-N 3.17Å; E3-G8 WeakPolarHBondContact O-CA 3.28Å; E3-G8 PolarHBondContact O-N 3.17Å
4V89.6Confident90.8Very high121 Ų12176.6 Ų76.673%0.73344%0.437SS*.Hα-helixtrans-76.2-34.7176.8176.90000110.5M1 W2M1-V4 WeakPolarHBondContact O-CB 3.19Å; M1-V4 PolarHBondContact O-N 3.36Å; M1-V4 VanDerWaalsContact O-N 3.07Å; W2-V4 PolarHBondContact O-N 3.03Å; W2-V4 VanDerWaalsContact O-N 3.13Å
5L87.7Confident91Very high59 Ų5974.1 Ų74.131%0.30942%0.422SS..Hα-helixtrans-78.3-20.9178.9-66.4170.4000113M1 W2 P39 T42 L46 M50M1-L5 HydrophobicContact CG-CD1 4.3Å; M1-L5 PolarHBondContact O-N 3.26Å; M1-L5 VanDerWaalsContact O-N 3.13Å; W2-L5 CarbonylContact O-C 3.58Å; W2-L5 WeakPolarHBondContact O-CA 3.35Å; W2-L5 WeakPolarHBondContact O-CB 3.35Å; W2-L5 PolarHBondContact O-N 3.16Å; L5-P39 HydrophobicContact CB-CG 3.79Å; L5-T42 HydrophobicContact CD1-CG2 3.67Å; L5-L46 HydrophobicContact CD1-CD2 3.97Å; L5-L46 HydrophobicContact CD1-CG 4.33Å; L5-L46 HydrophobicContact CD2-CD2 3.72Å; L5-L46 HydrophobicContact CG-CD2 4.34Å; L5-M50 HydrophobicContact CD1-SD 4.19Å
6T89.6Confident91.1Very high20 Ų2076.6 Ų76.612%0.12343%0.428CS..THydrogen-bonded Turntrans-101.210.1175.654.20000113.7W2 E3 G8 E9 P39W2-T6 HydrophobicContact CD2-CG2 3.92Å; W2-T6 HydrophobicContact CE3-CG2 4.14Å; W2-T6 HydrophobicContact CH2-CG2 3.8Å; W2-T6 HydrophobicContact CZ2-CG2 3.58Å; W2-T6 HydrophobicContact CZ3-CG2 4.08Å; W2-T6 WeakPolarHBondContact CZ3-OG1 3.18Å; W2-T6 PolarHBondContact O-N 2.94Å; W2-T6 PolarHBondContact O-OG1 3.31Å; W2-T6 VanDerWaalsContact O-OG1 3.11Å; E3-T6 WeakPolarHBondContact CA-OG1 3.2Å; T6-G8 VanDerWaalsContact C-N 3.27Å; T6-G8 PolarHBondContact O-N 3.48Å; T6-E9 WeakPolarHBondContact O-CG 3.29Å; T6-P39 HydrophobicContact CG2-CB 4.3Å; T6-P39 HydrophobicContact CG2-CG 3.33Å
7D90Very high91.3Very high161 Ų16181.9 Ų81.986%0.86145%0.449SS*.THydrogen-bonded Turntrans56.639-179.4-156.631.3000113.7E3E3-D7 PolarHBondContact O-N 3.17Å
8G90.8Very high91.3Very high61 Ų6185.9 Ų85.963%0.62946%0.461SS*.SBendtrans91.615.1172.600000115.7E3 T6E3-G8 WeakPolarHBondContact O-CA 3.28Å; E3-G8 PolarHBondContact O-N 3.17Å; T6-G8 VanDerWaalsContact C-N 3.27Å; T6-G8 PolarHBondContact O-N 3.48Å
9E92.6Very high91.4Very high118 Ų11882.2 Ų82.255%0.55144%0.443SS*.PPolyproline II helixtrans-57.7151.8173.1-72.4-179.5172.200112.6W2 T6W2-E9 HydrophobicContact CH2-CB 3.81Å; W2-E9 HydrophobicContact CZ3-CB 3.83Å; W2-E9 WeakPolarHBondContact CZ3-O 3.44Å; T6-E9 WeakPolarHBondContact O-CG 3.29Å
10A92.7Very high91.3Very high59 Ų5989.2 Ų89.249%0.48847%0.469SS..PPolyproline II helixtrans-77.9126.7176.400000111.1A13A10-A13 HydrophobicContact CB-CB 4.36Å; A10-A13 PolarHBondContact O-N 2.72Å
11P93.1Very high91.5Very high41 Ų4187.6 Ų87.627%0.26647%0.468SS..THydrogen-bonded Turntrans-65.6138.2178.527.1-34.3000111.3W2 A13 L36W2-P11 HydrophobicContact CE3-CB 4.41Å; W2-P11 HydrophobicContact CZ3-CB 4.39Å; P11-A13 PolarHBondContact O-N 3.46Å; P11-L36 HydrophobicContact CB-CD1 3.66Å; P11-L36 HydrophobicContact CB-CD2 4.16Å
12Y94.3Very high92Very high45 Ų4587.1 Ų87.118%0.17647%0.465CS..THydrogen-bonded Turntrans58.427.1179.1-46-76.9000114.3E14 L15 Q16 L26 F29 L30 L36Y12-E14 VanDerWaalsContact C-N 3.25Å; Y12-E14 PolarHBondContact O-N 3.25Å; Y12-L15 WeakPolarHBondContact O-CB 3.46Å; Y12-L15 PolarHBondContact O-N 3.5Å; Y12-Q16 PolarHBondContact O-N 2.97Å; Y12-L26 HydrophobicContact CD1-CD1 3.99Å; Y12-L26 HydrophobicContact CD2-CD1 3.73Å; Y12-L26 HydrophobicContact CE1-CD1 4.16Å; Y12-L26 HydrophobicContact CE2-CD1 3.91Å; Y12-L26 HydrophobicContact CG-CD1 3.78Å; Y12-F29 HydrophobicContact CD1-CD1 4.49Å; Y12-F29 HydrophobicContact CD1-CE1 4.17Å; Y12-F29 HydrophobicContact CE1-CD1 4.23Å; Y12-F29 AromaticContact CE1-CE1 3.85Å; Y12-F29 HydrophobicContact CE1-CE1 3.85Å; Y12-L30 HydrophobicContact CE1-CD2 4.45Å; Y12-L30 WeakPolarHBondContact OH-CD2 3.4Å; Y12-L36 HydrophobicContact CD1-CD2 3.68Å; Y12-L36 HydrophobicContact CD1-CG 4.21Å; Y12-L36 HydrophobicContact CD2-CD2 4.24Å; Y12-L36 HydrophobicContact CE1-CD2 3.63Å; Y12-L36 HydrophobicContact CE1-CG 3.64Å; Y12-L36 HydrophobicContact CE2-CD1 4.1Å; Y12-L36 HydrophobicContact CE2-CD2 4.2Å; Y12-L36 HydrophobicContact CE2-CG 4Å; Y12-L36 HydrophobicContact CG-CD2 3.99Å
13A92.4Very high92.1Very high51 Ų5187.8 Ų87.842%0.42148%0.482SS..Hα-helixtrans-51.5-42-178.500000113.1A10 P11 L15 Q16 E17A10-A13 HydrophobicContact CB-CB 4.36Å; A10-A13 PolarHBondContact O-N 2.72Å; P11-A13 PolarHBondContact O-N 3.46Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 3.36Å; A13-Q16 PolarHBondContact O-N 3.33Å; A13-E17 PolarHBondContact O-N 3.37Å
14E91.3Very high92.3Very high132 Ų13285.1 Ų85.162%0.61748%0.478SS*.Hα-helixtrans-63.6-38.1177.4-64.5-166.9-165.200113.5Y12 K18Y12-E14 VanDerWaalsContact C-N 3.25Å; Y12-E14 PolarHBondContact O-N 3.25Å; E14-K18 WeakPolarHBondContact O-CB 3.31Å; E14-K18 WeakPolarHBondContact O-CD 3.46Å; E14-K18 VanDerWaalsContact O-CG 3.28Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.45Å; E14-K18 IonicContact OE2-NZ 3.1Å; E14-K18 PolarHBondContact OE2-NZ 2.86Å; E14-K18 VanDerWaalsContact OE2-NZ 3.1Å
15L93.1Very high92.6Very high39 Ų3982.4 Ų82.420%0.20446%0.459CS..Hα-helixtrans-69.8-39.9177.5-177.263000109.9Y12 A13 E17 K18 S19 F22 D25 L26 F29Y12-L15 WeakPolarHBondContact O-CB 3.46Å; Y12-L15 PolarHBondContact O-N 3.5Å; A13-L15 VanDerWaalsContact C-N 3.35Å; A13-L15 PolarHBondContact O-N 3.36Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 2.93Å; L15-K18 PolarHBondContact O-N 3.35Å; L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 2.96Å; L15-F22 HydrophobicContact CB-CD2 4.49Å; L15-F22 HydrophobicContact CB-CE2 4.18Å; L15-F22 HydrophobicContact CD2-CD2 4.44Å; L15-F22 HydrophobicContact CD2-CE2 4.16Å; L15-F22 HydrophobicContact CG-CD2 4.12Å; L15-F22 HydrophobicContact CG-CE2 4.1Å; L15-D25 HydrophobicContact CD1-CB 4.3Å; L15-L26 HydrophobicContact CD2-CB 4.15Å; L15-L26 HydrophobicContact CD2-CD1 4.05Å; L15-F29 HydrophobicContact CD2-CB 4.16Å; L15-F29 HydrophobicContact CD2-CG 4.35Å
16Q92.7Very high93Very high113 Ų11381.1 Ų81.153%0.52845%0.453SS..Hα-helixtrans-63.9-37176.1-170.1178-54.400112.3Y12 A13 F22Y12-Q16 PolarHBondContact O-N 2.97Å; A13-Q16 PolarHBondContact O-N 3.33Å; Q16-F22 VanDerWaalsContact CA-CD2 3.43Å; Q16-F22 HydrophobicContact CB-CD2 3.76Å; Q16-F22 HydrophobicContact CB-CE2 3.74Å; Q16-F22 HydrophobicContact CB-CG 4.21Å; Q16-F22 HydrophobicContact CB-CZ 4.19Å; Q16-F22 HydrophobicContact CG-CD1 4.34Å; Q16-F22 HydrophobicContact CG-CD2 4.2Å; Q16-F22 HydrophobicContact CG-CE2 4.43Å; Q16-F22 HydrophobicContact CG-CG 4.14Å
17E93.6Very high93.3Very high167 Ų16784.8 Ų84.878%0.7847%0.471SS*.Hα-helixtrans-68.9-40.5177.1-173.3-176.5-179.800112.2A13 L15A13-E17 PolarHBondContact O-N 3.37Å; L15-E17 VanDerWaalsContact C-N 3.33Å; L15-E17 PolarHBondContact O-N 2.93Å
18K92.6Very high93.6Very high154 Ų15482.3 Ų82.367%0.6746%0.457SS*.Hα-helixtrans-84.1-25.9-174.6-65.9167.2-169.3163.10113.1E14 L15E14-K18 WeakPolarHBondContact O-CB 3.31Å; E14-K18 WeakPolarHBondContact O-CD 3.46Å; E14-K18 VanDerWaalsContact O-CG 3.28Å; E14-K18 WeakPolarHBondContact O-CG 3.39Å; E14-K18 PolarHBondContact O-N 3.45Å; E14-K18 IonicContact OE2-NZ 3.1Å; E14-K18 PolarHBondContact OE2-NZ 2.86Å; E14-K18 VanDerWaalsContact OE2-NZ 3.1Å; L15-K18 PolarHBondContact O-N 3.35Å
19S92.1Very high93.8Very high16 Ų1682.9 Ų82.911%0.11244%0.442CS..  trans-94.5132-172.8179.60000112.9L15 A21 F22 D25L15-S19 WeakPolarHBondContact O-CB 3.43Å; L15-S19 PolarHBondContact O-N 2.96Å; S19-A21 PolarHBondContact OG-N 3.01Å; S19-F22 WeakPolarHBondContact OG-CA 3.36Å; S19-F22 PolarHBondContact OG-N 3.48Å; S19-F22 VanDerWaalsContact OG-N 3.11Å; S19-D25 WeakPolarHBondContact CB-OD2 3.34Å; S19-D25 PolarHBondContact OG-OD2 3.43Å
20K90.6Very high94Very high222 Ų22279.4 Ų79.497%0.96543%0.427SS*.SBendtrans-80.3-19.2169-65-176.6-179.4-179.90113
21A94Very high94.1Very high55 Ų5582.8 Ų82.846%0.45544%0.438SS..SBendtrans-128.952-175.400000109.7S19 G23 A24 D25S19-A21 PolarHBondContact OG-N 3.01Å; A21-G23 PolarHBondContact O-N 3.32Å; A21-A24 PolarHBondContact O-N 2.91Å; A21-D25 PolarHBondContact O-N 3.06Å
22F94.4Very high94.2Very high56 Ų5684.3 Ų84.325%0.24645%0.454CS..Hα-helixtrans-46.8-42.5-167.8172.4-113.8000114.4L15 Q16 S19 A24 D25 L26L15-F22 HydrophobicContact CB-CD2 4.49Å; L15-F22 HydrophobicContact CB-CE2 4.18Å; L15-F22 HydrophobicContact CD2-CD2 4.44Å; L15-F22 HydrophobicContact CD2-CE2 4.16Å; L15-F22 HydrophobicContact CG-CD2 4.12Å; L15-F22 HydrophobicContact CG-CE2 4.1Å; Q16-F22 VanDerWaalsContact CA-CD2 3.43Å; Q16-F22 HydrophobicContact CB-CD2 3.76Å; Q16-F22 HydrophobicContact CB-CE2 3.74Å; Q16-F22 HydrophobicContact CB-CG 4.21Å; Q16-F22 HydrophobicContact CB-CZ 4.19Å; Q16-F22 HydrophobicContact CG-CD1 4.34Å; Q16-F22 HydrophobicContact CG-CD2 4.2Å; Q16-F22 HydrophobicContact CG-CE2 4.43Å; Q16-F22 HydrophobicContact CG-CG 4.14Å; S19-F22 WeakPolarHBondContact OG-CA 3.36Å; S19-F22 PolarHBondContact OG-N 3.48Å; S19-F22 VanDerWaalsContact OG-N 3.11Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.12Å; F22-D25 PolarHBondContact O-N 3.13Å; F22-L26 HydrophobicContact CE1-CD2 4.08Å; F22-L26 HydrophobicContact CE2-CB 4.29Å; F22-L26 HydrophobicContact CE2-CD2 4.43Å; F22-L26 HydrophobicContact CZ-CB 4.45Å; F22-L26 HydrophobicContact CZ-CD2 3.82Å; F22-L26 WeakPolarHBondContact O-CB 3.47Å; F22-L26 PolarHBondContact O-N 2.9Å
23G94.6Very high94.1Very high47 Ų4784.7 Ų84.749%0.48547%0.471SS..Hα-helixtrans-60.6-39.9179.600000113.8A21 I27A21-G23 PolarHBondContact O-N 3.32Å; G23-I27 WeakPolarHBondContact O-CD1 3.31Å; G23-I27 VanDerWaalsContact O-CG1 3.27Å; G23-I27 WeakPolarHBondContact O-CG1 3.33Å; G23-I27 PolarHBondContact O-N 3.49Å
24A96.2Very high94.2Very high51 Ų5185.9 Ų85.942%0.42147%0.47SS..Hα-helixtrans-73.7-48.4178.600000110.9A21 F22 L26 I27 D28A21-A24 PolarHBondContact O-N 2.91Å; F22-A24 VanDerWaalsContact C-N 3.34Å; F22-A24 PolarHBondContact O-N 3.12Å; A24-L26 PolarHBondContact O-N 2.94Å; A24-I27 WeakPolarHBondContact O-CB 3.44Å; A24-I27 PolarHBondContact O-N 3.29Å; A24-D28 PolarHBondContact O-N 2.99Å
25D95.9Very high94.4Very high63 Ų6382 Ų8234%0.33745%0.45SS..Hα-helixtrans-63.4-33.3179.9-65.54.8000111.8L15 S19 A21 F22 D28 F29L15-D25 HydrophobicContact CD1-CB 4.3Å; S19-D25 WeakPolarHBondContact CB-OD2 3.34Å; S19-D25 PolarHBondContact OG-OD2 3.43Å; A21-D25 PolarHBondContact O-N 3.06Å; F22-D25 PolarHBondContact O-N 3.13Å; D25-D28 PolarHBondContact O-N 2.99Å; D25-F29 VanDerWaalsContact O-CB 3.24Å; D25-F29 WeakPolarHBondContact O-CB 3.48Å; D25-F29 PolarHBondContact O-N 2.95Å
26L96.3Very high94.4Very high33 Ų3381.2 Ų81.217%0.17345%0.446CS..Hα-helixtrans-65.9-41.3173.3179.562.4000111.3Y12 L15 F22 A24 F29 L30Y12-L26 HydrophobicContact CD1-CD1 3.99Å; Y12-L26 HydrophobicContact CD2-CD1 3.73Å; Y12-L26 HydrophobicContact CE1-CD1 4.16Å; Y12-L26 HydrophobicContact CE2-CD1 3.91Å; Y12-L26 HydrophobicContact CG-CD1 3.78Å; L15-L26 HydrophobicContact CD2-CB 4.15Å; L15-L26 HydrophobicContact CD2-CD1 4.05Å; F22-L26 HydrophobicContact CE1-CD2 4.08Å; F22-L26 HydrophobicContact CE2-CB 4.29Å; F22-L26 HydrophobicContact CE2-CD2 4.43Å; F22-L26 HydrophobicContact CZ-CB 4.45Å; F22-L26 HydrophobicContact CZ-CD2 3.82Å; F22-L26 WeakPolarHBondContact O-CB 3.47Å; F22-L26 PolarHBondContact O-N 2.9Å; A24-L26 PolarHBondContact O-N 2.94Å; L26-F29 PolarHBondContact O-N 3.48Å; L26-L30 HydrophobicContact CD1-CD1 4.08Å; L26-L30 HydrophobicContact CD1-CG 4.07Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.37Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.82Å
27I95.8Very high94.3Very high97 Ų9783.7 Ų83.750%0.49746%0.457SS..Hα-helixtrans-61.3-49.5175.3-70.1164.1000109.7G23 A24 F29 L30 D31G23-I27 WeakPolarHBondContact O-CD1 3.31Å; G23-I27 VanDerWaalsContact O-CG1 3.27Å; G23-I27 WeakPolarHBondContact O-CG1 3.33Å; G23-I27 PolarHBondContact O-N 3.49Å; A24-I27 WeakPolarHBondContact O-CB 3.44Å; A24-I27 PolarHBondContact O-N 3.29Å; I27-F29 VanDerWaalsContact C-N 3.31Å; I27-F29 PolarHBondContact O-N 3.4Å; I27-L30 PolarHBondContact O-N 2.9Å; I27-L30 VanDerWaalsContact O-N 3.13Å; I27-D31 WeakPolarHBondContact O-CB 3.43Å; I27-D31 PolarHBondContact O-N 2.95Å
28D96Very high94.1Very high109 Ų10976.8 Ų76.858%0.58343%0.428SS*.Hα-helixtrans-60-41.4178.9-70.9-16.7000112A24 D25 L30 D31 A32A24-D28 PolarHBondContact O-N 2.99Å; D25-D28 PolarHBondContact O-N 2.99Å; D28-L30 PolarHBondContact O-N 2.92Å; D28-D31 PolarHBondContact O-N 3.41Å; D28-A32 WeakPolarHBondContact O-CB 3.5Å; D28-A32 PolarHBondContact O-N 3.3Å
29F95.9Very high94Very high72 Ų7270.9 Ų70.932%0.31641%0.406SS..Hα-helixtrans-60.9-44.2175.8-178.6-93.6000112Y12 L15 D25 L26 I27 N34Y12-F29 HydrophobicContact CD1-CD1 4.49Å; Y12-F29 HydrophobicContact CD1-CE1 4.17Å; Y12-F29 HydrophobicContact CE1-CD1 4.23Å; Y12-F29 AromaticContact CE1-CE1 3.85Å; Y12-F29 HydrophobicContact CE1-CE1 3.85Å; L15-F29 HydrophobicContact CD2-CB 4.16Å; L15-F29 HydrophobicContact CD2-CG 4.35Å; D25-F29 VanDerWaalsContact O-CB 3.24Å; D25-F29 WeakPolarHBondContact O-CB 3.48Å; D25-F29 PolarHBondContact O-N 2.95Å; L26-F29 PolarHBondContact O-N 3.48Å; I27-F29 VanDerWaalsContact C-N 3.31Å; I27-F29 PolarHBondContact O-N 3.4Å; F29-N34 HydrophobicContact CD1-CB 3.7Å; F29-N34 HydrophobicContact CD2-CB 3.95Å; F29-N34 HydrophobicContact CE1-CB 3.29Å; F29-N34 HydrophobicContact CE2-CB 3.58Å; F29-N34 HydrophobicContact CG-CB 4.01Å; F29-N34 HydrophobicContact CZ-CB 3.25Å; F29-N34 WeakPolarHBondContact O-CB 3.43Å; F29-N34 PolarHBondContact O-N 3.19Å; F29-N34 PolarHBondContact O-ND2 2.76Å
30L96Very high93.6Very high45 Ų4579.4 Ų79.424%0.23644%0.441CS..Hα-helixtrans-72.3-37178.9-66.2174.8000112.1Y12 L26 I27 D28 A32 G33 N34 R35Y12-L30 HydrophobicContact CE1-CD2 4.45Å; Y12-L30 WeakPolarHBondContact OH-CD2 3.4Å; L26-L30 HydrophobicContact CD1-CD1 4.08Å; L26-L30 HydrophobicContact CD1-CG 4.07Å; L26-L30 HydrophobicContact CG-CD1 3.99Å; L26-L30 HydrophobicContact CG-CG 4.37Å; L26-L30 WeakPolarHBondContact O-CB 3.48Å; L26-L30 WeakPolarHBondContact O-CG 3.41Å; L26-L30 PolarHBondContact O-N 2.82Å; I27-L30 PolarHBondContact O-N 2.9Å; I27-L30 VanDerWaalsContact O-N 3.13Å; D28-L30 PolarHBondContact O-N 2.92Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.14Å; L30-G33 WeakPolarHBondContact O-CA 3.5Å; L30-G33 PolarHBondContact O-N 2.96Å; L30-N34 WeakPolarHBondContact CD2-O 3.35Å; L30-R35 PolarHBondContact O-NH1 3.17Å
31D94.5Very high93.4Very high131 Ų13176.6 Ų76.670%0.70144%0.437SS*.Hα-helixtrans-69.7-29.2178.1-78.1-10.8000111.6I27 D28 G33I27-D31 WeakPolarHBondContact O-CB 3.43Å; I27-D31 PolarHBondContact O-N 2.95Å; D28-D31 PolarHBondContact O-N 3.41Å; D31-G33 PolarHBondContact O-N 3.47Å; D31-G33 VanDerWaalsContact O-N 3.15Å
32A95.1Very high93.2Very high73 Ų7375 Ų7560%0.60342%0.421SS*.THydrogen-bonded Turntrans-69.1-1.4167.800000113.9D28 L30D28-A32 WeakPolarHBondContact O-CB 3.5Å; D28-A32 PolarHBondContact O-N 3.3Å; L30-A32 VanDerWaalsContact C-N 3.29Å; L30-A32 PolarHBondContact O-N 3.14Å
33G92.7Very high93Very high52 Ų5274.2 Ų74.254%0.53642%0.422SS..THydrogen-bonded Turntrans87.4-0178.100000114.5L30 D31L30-G33 WeakPolarHBondContact O-CA 3.5Å; L30-G33 PolarHBondContact O-N 2.96Å; D31-G33 PolarHBondContact O-N 3.47Å; D31-G33 VanDerWaalsContact O-N 3.15Å
34N95Very high92.9Very high76 Ų7676.5 Ų76.541%0.40643%0.428SS..  trans-73.9144.1178.8-53.9-63.2000110.6F29 L30F29-N34 HydrophobicContact CD1-CB 3.7Å; F29-N34 HydrophobicContact CD2-CB 3.95Å; F29-N34 HydrophobicContact CE1-CB 3.29Å; F29-N34 HydrophobicContact CE2-CB 3.58Å; F29-N34 HydrophobicContact CG-CB 4.01Å; F29-N34 HydrophobicContact CZ-CB 3.25Å; F29-N34 WeakPolarHBondContact O-CB 3.43Å; F29-N34 PolarHBondContact O-N 3.19Å; F29-N34 PolarHBondContact O-ND2 2.76Å; L30-N34 WeakPolarHBondContact CD2-O 3.35Å
35R95.1Very high92.7Very high52 Ų5278.8 Ų78.820%0.19643%0.43CS..  trans-138.9169.7177.5-64.6-63.3-178.1-874.4109.3L30 E37 M54L30-R35 PolarHBondContact O-NH1 3.17Å; R35-E37 PolarHBondContact O-N 3.22Å; R35-M54 HydrophobicContact CB-CE 4.23Å; R35-M54 HydrophobicContact CG-CB 4.41Å; R35-M54 PolarHBondContact NE-O 2.78Å
36L93.8Very high92.5Very high22 Ų2276.9 Ų76.912%0.11542%0.42CS..PPolyproline II helixtrans-55.1132.7169.3-67.1165.4000110.5W2 P11 Y12 M54W2-L36 HydrophobicContact CB-CD1 4.18Å; W2-L36 HydrophobicContact CD2-CB 4.48Å; W2-L36 HydrophobicContact CD2-CD1 3.91Å; W2-L36 HydrophobicContact CD2-CD2 4.46Å; W2-L36 HydrophobicContact CD2-CG 4.5Å; W2-L36 HydrophobicContact CE3-CD1 4.24Å; W2-L36 HydrophobicContact CG-CB 4.15Å; W2-L36 HydrophobicContact CG-CD1 3.87Å; W2-L36 HydrophobicContact CZ2-CD2 4.29Å; P11-L36 HydrophobicContact CB-CD1 3.66Å; P11-L36 HydrophobicContact CB-CD2 4.16Å; Y12-L36 HydrophobicContact CD1-CD2 3.68Å; Y12-L36 HydrophobicContact CD1-CG 4.21Å; Y12-L36 HydrophobicContact CD2-CD2 4.24Å; Y12-L36 HydrophobicContact CE1-CD2 3.63Å; Y12-L36 HydrophobicContact CE1-CG 3.64Å; Y12-L36 HydrophobicContact CE2-CD1 4.1Å; Y12-L36 HydrophobicContact CE2-CD2 4.2Å; Y12-L36 HydrophobicContact CE2-CG 4Å; Y12-L36 HydrophobicContact CG-CD2 3.99Å; L36-M54 HydrophobicContact CB-CE 4.4Å; L36-M54 HydrophobicContact CB-SD 4.29Å; L36-M54 HydrophobicContact CD1-SD 4.35Å
37E90.7Very high92.4Very high165 Ų16580 Ų8077%0.77143%0.432SS*.PPolyproline II helixtrans-74.7142.3172.4-63.7-168.5171.600110.4W2 R35W2-E37 PolarHBondContact NE1-O 2.96Å; R35-E37 PolarHBondContact O-N 3.22Å
38A89.8Confident92.3Very high21 Ų2181.2 Ų81.217%0.17443%0.433CS..PPolyproline II helixtrans-66136.8172.500000110T42 K47 M50A38-T42 HydrophobicContact CB-CG2 4.22Å; A38-K47 HydrophobicContact CB-CB 4.06Å; A38-K47 HydrophobicContact CB-CD 3.81Å; A38-K47 HydrophobicContact CB-CG 3.74Å; A38-M50 HydrophobicContact CB-CE 3.62Å
39P89.1Confident92.3Very high31 Ų3176.3 Ų76.320%0.20141%0.407CS..PPolyproline II helixtrans-54.8157.3174.1-28.538.6000112.2L5 T6 T42L5-P39 HydrophobicContact CB-CG 3.79Å; T6-P39 HydrophobicContact CG2-CB 4.3Å; T6-P39 HydrophobicContact CG2-CG 3.33Å; P39-T42 WeakPolarHBondContact CD-OG1 3.42Å; P39-T42 WeakPolarHBondContact O-CB 3.47Å; P39-T42 PolarHBondContact O-N 3.46Å; P39-T42 PolarHBondContact O-OG1 3.35Å
40K85.3Confident92.2Very high195 Ų19573 Ų7385%0.84839%0.393SS*.THydrogen-bonded Turntrans-54.6144171.4-66.1179.4-177.2173.90109.1T42K40-T42 PolarHBondContact O-N 3.46Å
41D85.2Confident92.1Very high163 Ų16374.2 Ų74.287%0.87240%0.399SS*.THydrogen-bonded Turntrans68.76.3180-45.9-48.4000116.2P43D41-P43 WeakPolarHBondContact O-CD 3.36Å
42T89.6Confident92.1Very high20 Ų2069.9 Ų69.912%0.12338%0.381CS..  trans-62.7123.6171.3-57.50000110.2L5 A38 P39 K40 L46 K47L5-T42 HydrophobicContact CD1-CG2 3.67Å; A38-T42 HydrophobicContact CB-CG2 4.22Å; P39-T42 WeakPolarHBondContact CD-OG1 3.42Å; P39-T42 WeakPolarHBondContact O-CB 3.47Å; P39-T42 PolarHBondContact O-N 3.46Å; P39-T42 PolarHBondContact O-OG1 3.35Å; K40-T42 PolarHBondContact O-N 3.46Å; T42-L46 HydrophobicContact CG2-CB 4.1Å; T42-L46 HydrophobicContact CG2-CD2 4.31Å; T42-L46 HydrophobicContact CG2-CG 4.26Å; T42-K47 HydrophobicContact CG2-CB 4.12Å
43P90.3Very high92.2Very high40 Ų4068.3 Ų68.326%0.2637%0.366SS..  trans-54.5138.8177.2-27.635.4000111.8D41 E45 L46 K47 M78D41-P43 WeakPolarHBondContact O-CD 3.36Å; P43-E45 VanDerWaalsContact C-N 3.25Å; P43-E45 PolarHBondContact O-N 3.05Å; P43-E45 VanDerWaalsContact O-N 3.13Å; P43-L46 HydrophobicContact CB-CB 4.23Å; P43-L46 WeakPolarHBondContact O-CA 3.38Å; P43-L46 WeakPolarHBondContact O-CB 3.45Å; P43-L46 PolarHBondContact O-N 3.28Å; P43-K47 PolarHBondContact O-N 3.29Å; P43-M78 HydrophobicContact CG-CE 4.43Å; P43-M78 HydrophobicContact CG-SD 4.41Å
44P92Very high92.3Very high95 Ų9567.4 Ų67.462%0.61735%0.348SS*.Hα-helixtrans-54.8-37.9-174.4-28.935000114.2K47 K48P44-K47 PolarHBondContact O-N 3.31Å; P44-K48 WeakPolarHBondContact O-CG 3.46Å; P44-K48 PolarHBondContact O-N 3.38Å
45E92.4Very high92.3Very high99 Ų9966.4 Ų66.446%0.46334%0.343SS..Hα-helixtrans-70.1-35.6177.7-63.9-52.4134.200112.5P43 K48 L49 I74P43-E45 VanDerWaalsContact C-N 3.25Å; P43-E45 PolarHBondContact O-N 3.05Å; P43-E45 VanDerWaalsContact O-N 3.13Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-K48 IonicContact OE1-NZ 2.72Å; E45-K48 PolarHBondContact OE1-NZ 3Å; E45-K48 IonicContact OE2-NZ 3.64Å; E45-L49 PolarHBondContact O-N 2.77Å; E45-I74 HydrophobicContact CB-CD1 3.88Å; E45-I74 HydrophobicContact CB-CG1 3.76Å
46L92.9Very high92.2Very high23 Ų2367.5 Ų67.512%0.1236%0.362CS..Hα-helixtrans-69.9-39.2174.5-169.961000111.1M1 L5 T42 P43 K48 L49 M50 L71 I74M1-L46 HydrophobicContact CE-CD1 3.77Å; M1-L46 HydrophobicContact CG-CD1 4.32Å; M1-L46 HydrophobicContact SD-CD1 3.44Å; M1-L46 WeakPolarHBondContact SD-CD1 3.47Å; M1-L46 HydrophobicContact SD-CG 4.05Å; L5-L46 HydrophobicContact CD1-CD2 3.97Å; L5-L46 HydrophobicContact CD1-CG 4.33Å; L5-L46 HydrophobicContact CD2-CD2 3.72Å; L5-L46 HydrophobicContact CG-CD2 4.34Å; T42-L46 HydrophobicContact CG2-CB 4.1Å; T42-L46 HydrophobicContact CG2-CD2 4.31Å; T42-L46 HydrophobicContact CG2-CG 4.26Å; P43-L46 HydrophobicContact CB-CB 4.23Å; P43-L46 WeakPolarHBondContact O-CA 3.38Å; P43-L46 WeakPolarHBondContact O-CB 3.45Å; P43-L46 PolarHBondContact O-N 3.28Å; L46-K48 PolarHBondContact O-N 3.37Å; L46-L49 HydrophobicContact CD1-CD2 4.43Å; L46-L49 PolarHBondContact O-N 3.48Å; L46-M50 WeakPolarHBondContact O-CB 3.43Å; L46-M50 PolarHBondContact O-N 3.34Å; L46-L71 HydrophobicContact CD1-CD2 3.55Å; L46-I74 HydrophobicContact CD1-CD1 4.49Å
47K93.1Very high92.2Very high100 Ų10068.9 Ų68.944%0.43537%0.374SS..Hα-helixtrans-58.1-46.6171.6173.3172.4-176.81750111.3A38 T42 P43 P44 L49 M50 L51A38-K47 HydrophobicContact CB-CB 4.06Å; A38-K47 HydrophobicContact CB-CD 3.81Å; A38-K47 HydrophobicContact CB-CG 3.74Å; T42-K47 HydrophobicContact CG2-CB 4.12Å; P43-K47 PolarHBondContact O-N 3.29Å; P44-K47 PolarHBondContact O-N 3.31Å; K47-L49 PolarHBondContact O-N 2.74Å; K47-M50 PolarHBondContact O-N 3.34Å; K47-L51 HydrophobicContact CG-CD1 4.15Å; K47-L51 WeakPolarHBondContact O-CG 3.46Å; K47-L51 PolarHBondContact O-N 3.13Å
48K93.6Very high92.4Very high121 Ų12170.6 Ų70.653%0.52637%0.373SS..Hα-helixtrans-59.7-45.8176.4-72.8171.7-172.6168.60111.7P44 E45 L46 L51 A52P44-K48 WeakPolarHBondContact O-CG 3.46Å; P44-K48 PolarHBondContact O-N 3.38Å; E45-K48 PolarHBondContact O-N 2.96Å; E45-K48 IonicContact OE1-NZ 2.72Å; E45-K48 PolarHBondContact OE1-NZ 3Å; E45-K48 IonicContact OE2-NZ 3.64Å; L46-K48 PolarHBondContact O-N 3.37Å; K48-L51 PolarHBondContact O-N 3.31Å; K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.4Å
49L95.6Very high92.7Very high7 Ų773.6 Ų73.64%0.03740%0.398CS..Hα-helixtrans-61.9-44.6177178.355.3000111.6M1 E45 L46 K47 L51 A52 C53 P62 I67 K70 L71 I74M1-L49 HydrophobicContact CE-CD2 3.74Å; M1-L49 HydrophobicContact CE-CG 3.88Å; M1-L49 HydrophobicContact SD-CG 4.25Å; E45-L49 PolarHBondContact O-N 2.77Å; L46-L49 HydrophobicContact CD1-CD2 4.43Å; L46-L49 PolarHBondContact O-N 3.48Å; K47-L49 PolarHBondContact O-N 2.74Å; L49-L51 PolarHBondContact O-N 3.13Å; L49-A52 PolarHBondContact O-N 3.11Å; L49-C53 PolarHBondContact O-N 3.44Å; L49-C53 PolarHBondContact O-SG 3.37Å; L49-P62 HydrophobicContact CD1-CG 4.36Å; L49-I67 HydrophobicContact CD1-CG1 4.25Å; L49-I67 HydrophobicContact CD2-CG2 4.35Å; L49-K70 HydrophobicContact CD1-CB 4.44Å; L49-K70 HydrophobicContact CD1-CD 3.82Å; L49-K70 HydrophobicContact CD2-CB 4Å; L49-L71 HydrophobicContact CD2-CD2 3.81Å; L49-L71 HydrophobicContact CD2-CG 3.82Å; L49-I74 HydrophobicContact CD2-CD1 4.34Å
50M94.9Very high93.1Very high3 Ų377 Ų772%0.01542%0.415CS..Hα-helixtrans-59.2-46.5177.7-166.5-174.37000111.6M1 W2 L5 A38 L46 K47 C53 M54M1-M50 HydrophobicContact CB-CG 4.17Å; M1-M50 HydrophobicContact CG-CB 4.22Å; M1-M50 HydrophobicContact CG-CG 4.04Å; M1-M50 HydrophobicContact SD-CB 3.65Å; M1-M50 HydrophobicContact SD-CG 4.11Å; W2-M50 HydrophobicContact CB-SD 3.69Å; W2-M50 HydrophobicContact CG-SD 4.17Å; L5-M50 HydrophobicContact CD1-SD 4.19Å; A38-M50 HydrophobicContact CB-CE 3.62Å; L46-M50 WeakPolarHBondContact O-CB 3.43Å; L46-M50 PolarHBondContact O-N 3.34Å; K47-M50 PolarHBondContact O-N 3.34Å; M50-C53 WeakPolarHBondContact O-CB 3.45Å; M50-C53 PolarHBondContact O-N 2.97Å; M50-M54 HydrophobicContact CE-CE 4.05Å; M50-M54 HydrophobicContact CG-CE 4.14Å; M50-M54 PolarHBondContact O-N 2.92Å
51L93.3Very high93.7Very high69 Ų6972.3 Ų72.336%0.36139%0.391SS..Hα-helixtrans-65.9-39.8177.6-68.1175.6000112.2K47 K48 L49 C53 M54 D55K47-L51 HydrophobicContact CG-CD1 4.15Å; K47-L51 WeakPolarHBondContact O-CG 3.46Å; K47-L51 PolarHBondContact O-N 3.13Å; K48-L51 PolarHBondContact O-N 3.31Å; L49-L51 PolarHBondContact O-N 3.13Å; L51-C53 VanDerWaalsContact C-N 3.29Å; L51-C53 PolarHBondContact O-N 2.82Å; L51-M54 HydrophobicContact CD2-CE 3.82Å; L51-M54 CarbonylContact O-C 3.48Å; L51-M54 WeakPolarHBondContact O-CA 3.47Å; L51-M54 PolarHBondContact O-N 3.07Å; L51-D55 PolarHBondContact O-N 2.78Å
52A95.3Very high94.2Very high40 Ų4066 Ų6633%0.33136%0.359SS..Hα-helixtrans-61.6-36.117600000112.6K48 L49 M54 D55 P62K48-A52 WeakPolarHBondContact O-CB 3.47Å; K48-A52 PolarHBondContact O-N 3.4Å; L49-A52 PolarHBondContact O-N 3.11Å; A52-M54 PolarHBondContact O-N 3.41Å; A52-D55 PolarHBondContact O-N 2.89Å; A52-P62 WeakPolarHBondContact O-CD 3.49Å
53C95.9Very high94.6Very high40 Ų4071.4 Ų71.427%0.2738%0.381SS..Hα-helixtrans-64.3-22.6173-69.10000113.2L49 M50 L51 R61L49-C53 PolarHBondContact O-N 3.44Å; L49-C53 PolarHBondContact O-SG 3.37Å; M50-C53 WeakPolarHBondContact O-CB 3.45Å; M50-C53 PolarHBondContact O-N 2.97Å; L51-C53 VanDerWaalsContact C-N 3.29Å; L51-C53 PolarHBondContact O-N 2.82Å; C53-R61 WeakPolarHBondContact O-CD 3.35Å
54M94.8Very high94.9Very high34 Ų3478.3 Ų78.317%0.16741%0.407CS..THydrogen-bonded Turntrans-102.716.1-178.5-60.7-174.3-65.100113R35 L36 M50 L51 A52R35-M54 HydrophobicContact CB-CE 4.23Å; R35-M54 HydrophobicContact CG-CB 4.41Å; R35-M54 PolarHBondContact NE-O 2.78Å; L36-M54 HydrophobicContact CB-CE 4.4Å; L36-M54 HydrophobicContact CB-SD 4.29Å; L36-M54 HydrophobicContact CD1-SD 4.35Å; M50-M54 HydrophobicContact CE-CE 4.05Å; M50-M54 HydrophobicContact CG-CE 4.14Å; M50-M54 PolarHBondContact O-N 2.92Å; L51-M54 HydrophobicContact CD2-CE 3.82Å; L51-M54 CarbonylContact O-C 3.48Å; L51-M54 WeakPolarHBondContact O-CA 3.47Å; L51-M54 PolarHBondContact O-N 3.07Å; A52-M54 PolarHBondContact O-N 3.41Å
55D95.3Very high95.2Very high55 Ų5577.3 Ų77.329%0.29441%0.407SS..  trans-55.1141.9178.4-164.2-71.9000111.6L51 A52 S57 N60 R61L51-D55 PolarHBondContact O-N 2.78Å; A52-D55 PolarHBondContact O-N 2.89Å; D55-S57 VanDerWaalsContact C-N 3.29Å; D55-S57 PolarHBondContact O-N 3.43Å; D55-S57 WeakPolarHBondContact OD1-CA 3.47Å; D55-S57 WeakPolarHBondContact OD1-CB 3.34Å; D55-S57 PolarHBondContact OD1-N 3.31Å; D55-N60 HydrophobicContact CB-CB 4.12Å; D55-N60 PolarHBondContact OD1-ND2 3Å; D55-R61 HydrophobicContact CB-CG 4.03Å; D55-R61 VanDerWaalsContact O-CZ 3.29Å; D55-R61 PolarHBondContact O-NE 3.42Å; D55-R61 PolarHBondContact O-NH2 3.1Å
56A93.5Very high95.4Very high74 Ų7476.2 Ų76.261%0.61241%0.405SS*.SBendtrans-58.9-42.9176.900000111.3R58A56-R58 PolarHBondContact O-N 3.15Å
57S94.5Very high95.6Very high51 Ų5176.4 Ų76.436%0.35741%0.405SS..SBendtrans-80.6115.6174.41780000110.4D55 A59 N60D55-S57 VanDerWaalsContact C-N 3.29Å; D55-S57 PolarHBondContact O-N 3.43Å; D55-S57 WeakPolarHBondContact OD1-CA 3.47Å; D55-S57 WeakPolarHBondContact OD1-CB 3.34Å; D55-S57 PolarHBondContact OD1-N 3.31Å; S57-A59 PolarHBondContact O-N 3.24Å; S57-A59 VanDerWaalsContact O-N 3.1Å; S57-A59 PolarHBondContact OG-N 3.23Å; S57-N60 WeakPolarHBondContact CB-ND2 3.41Å; S57-N60 PolarHBondContact O-N 2.98Å
58R94.1Very high95.7Very high202 Ų20276.3 Ų76.376%0.76241%0.409SS*.THydrogen-bonded Turntrans-55.7-28.8173.6-67.1-169.4-68.4174.1-2.8113.1A56 N60 R61A56-R58 PolarHBondContact O-N 3.15Å; R58-N60 VanDerWaalsContact C-N 3.31Å; R58-R61 PolarHBondContact O-N 3.48Å
59A96.5Very high95.8Very high83 Ų8376.6 Ų76.669%0.68641%0.41SS*.THydrogen-bonded Turntrans-71.1-27.1179.200000112.9S57S57-A59 PolarHBondContact O-N 3.24Å; S57-A59 VanDerWaalsContact O-N 3.1Å; S57-A59 PolarHBondContact OG-N 3.23Å
60N96.5Very high95.8Very high103 Ų10381 Ų8155%0.55143%0.43SS*.THydrogen-bonded Turntrans-83.8-15.7179.3-66.3-11.6000112.9D55 S57 R58D55-N60 HydrophobicContact CB-CB 4.12Å; D55-N60 PolarHBondContact OD1-ND2 3Å; S57-N60 WeakPolarHBondContact CB-ND2 3.41Å; S57-N60 PolarHBondContact O-N 2.98Å; R58-N60 VanDerWaalsContact C-N 3.31Å
61R97.8Very high95.8Very high96 Ų9684 Ų8436%0.36245%0.445SS..SBendtrans-67131.9179-62.1178.6-167.3172.53.4109.8C53 D55 R58C53-R61 WeakPolarHBondContact O-CD 3.35Å; D55-R61 HydrophobicContact CB-CG 4.03Å; D55-R61 VanDerWaalsContact O-CZ 3.29Å; D55-R61 PolarHBondContact O-NE 3.42Å; D55-R61 PolarHBondContact O-NH2 3.1Å; R58-R61 PolarHBondContact O-N 3.48Å
62P97.3Very high95.8Very high31 Ų3185 Ų8520%0.20145%0.448CS..PPolyproline II helixtrans-62.7150.9-178.727.2-35.1000111.1L49 A52 D66 I67L49-P62 HydrophobicContact CD1-CG 4.36Å; A52-P62 WeakPolarHBondContact O-CD 3.49Å; P62-D66 HydrophobicContact CB-CB 4.17Å; P62-I67 HydrophobicContact CB-CG1 3.97Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 3.75Å
63K97.6Very high95.7Very high133 Ų13388 Ų8858%0.57846%0.455SS*.PPolyproline II helixtrans-77.3158.9172.4-54.2-54.8179.6-1690109.5A65 D66 I67K63-A65 PolarHBondContact O-N 2.7Å; K63-D66 WeakPolarHBondContact CB-OD2 3.4Å; K63-D66 PolarHBondContact N-OD2 3.19Å; K63-D66 VanDerWaalsContact N-OD2 3.14Å; K63-D66 WeakPolarHBondContact O-CA 3.44Å; K63-D66 WeakPolarHBondContact O-CB 3.42Å; K63-D66 PolarHBondContact O-N 2.79Å; K63-I67 WeakPolarHBondContact O-CG1 3.43Å; K63-I67 PolarHBondContact O-N 3.25Å
64F96.5Very high95.5Very high185 Ų18587.5 Ų87.581%0.81145%0.449SS*.Hα-helixtrans-55.7-36.6178.8-75.2-72.6000113.4D66 I67 L68F64-D66 VanDerWaalsContact C-N 3.34Å; F64-D66 PolarHBondContact O-N 3.1Å; F64-I67 HydrophobicContact CD1-CD1 4.25Å; F64-I67 PolarHBondContact O-N 3.46Å; F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 2.99Å
65A97.5Very high95.2Very high74 Ų7490.8 Ų90.861%0.61246%0.461SS*.Hα-helixtrans-60.8-42174.500000112.3K63 K69K63-A65 PolarHBondContact O-N 2.7Å; A65-K69 WeakPolarHBondContact O-CB 3.24Å; A65-K69 PolarHBondContact O-N 3.49Å
66D96.6Very high94.9Very high77 Ų7795.3 Ų95.341%0.41248%0.477SS..Hα-helixtrans-69.2-38.5177.2-52.9-50.9000111.5P62 K63 F64 K70P62-D66 HydrophobicContact CB-CB 4.17Å; K63-D66 WeakPolarHBondContact CB-OD2 3.4Å; K63-D66 PolarHBondContact N-OD2 3.19Å; K63-D66 VanDerWaalsContact N-OD2 3.14Å; K63-D66 WeakPolarHBondContact O-CA 3.44Å; K63-D66 WeakPolarHBondContact O-CB 3.42Å; K63-D66 PolarHBondContact O-N 2.79Å; F64-D66 VanDerWaalsContact C-N 3.34Å; F64-D66 PolarHBondContact O-N 3.1Å; D66-K70 WeakPolarHBondContact O-CB 3.15Å; D66-K70 VanDerWaalsContact O-CG 3.31Å; D66-K70 WeakPolarHBondContact O-CG 3.12Å; D66-K70 PolarHBondContact O-N 2.97Å
67I97.1Very high94.6Very high26 Ų2695 Ų9513%0.13348%0.482CS..Hα-helixtrans-61.4-49.8176.4-64.4168.4000109.8L49 P62 K63 F64 K70 L71L49-I67 HydrophobicContact CD1-CG1 4.25Å; L49-I67 HydrophobicContact CD2-CG2 4.35Å; P62-I67 HydrophobicContact CB-CG1 3.97Å; P62-I67 HydrophobicContact CG-CD1 4.14Å; P62-I67 HydrophobicContact CG-CG1 3.75Å; K63-I67 WeakPolarHBondContact O-CG1 3.43Å; K63-I67 PolarHBondContact O-N 3.25Å; F64-I67 HydrophobicContact CD1-CD1 4.25Å; F64-I67 PolarHBondContact O-N 3.46Å; I67-K70 PolarHBondContact O-N 3.35Å; I67-L71 HydrophobicContact CG2-CD1 3.9Å; I67-L71 HydrophobicContact CG2-CG 4.41Å; I67-L71 WeakPolarHBondContact O-CB 3.39Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.43Å; I67-L71 PolarHBondContact O-N 3.42Å
68L96.1Very high94Very high98 Ų9898.5 Ų98.551%0.51349%0.494SS..Hα-helixtrans-59.9-49.2179.2178.361.2000111F64 K70 L71 E72F64-L68 WeakPolarHBondContact O-CB 3.48Å; F64-L68 PolarHBondContact O-N 2.99Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-K70 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 2.97Å; L68-L71 VanDerWaalsContact O-N 3.12Å; L68-E72 HydrophobicContact CD1-CG 4.44Å; L68-E72 WeakPolarHBondContact O-CG 3.49Å; L68-E72 PolarHBondContact O-N 3.48Å
69K96.1Very high93Very high127 Ų12791.8 Ų91.855%0.55249%0.488SS*.Hα-helixtrans-56.3-47.1177.7-177.4-178.4175.6-176.40111.8A65 L71 E72 E73A65-K69 WeakPolarHBondContact O-CB 3.24Å; A65-K69 PolarHBondContact O-N 3.49Å; K69-L71 VanDerWaalsContact C-N 3.35Å; K69-L71 PolarHBondContact O-N 3.13Å; K69-E72 PolarHBondContact O-N 2.99Å; K69-E73 WeakPolarHBondContact CE-OE1 3.28Å; K69-E73 WeakPolarHBondContact O-CG 3.42Å; K69-E73 PolarHBondContact O-N 3.27Å
70K95.4Very high91.4Very high101 Ų10190.7 Ų90.744%0.43948%0.475SS..Hα-helixtrans-63.1-39.9177.1-76.4175.7174.5-71.80112.2L49 D66 I67 L68 E73 I74L49-K70 HydrophobicContact CD1-CB 4.44Å; L49-K70 HydrophobicContact CD1-CD 3.82Å; L49-K70 HydrophobicContact CD2-CB 4Å; D66-K70 WeakPolarHBondContact O-CB 3.15Å; D66-K70 VanDerWaalsContact O-CG 3.31Å; D66-K70 WeakPolarHBondContact O-CG 3.12Å; D66-K70 PolarHBondContact O-N 2.97Å; I67-K70 PolarHBondContact O-N 3.35Å; L68-K70 VanDerWaalsContact C-N 3.33Å; L68-K70 PolarHBondContact O-N 3.42Å; K70-E73 PolarHBondContact O-N 2.89Å; K70-I74 WeakPolarHBondContact O-CD1 3.41Å; K70-I74 WeakPolarHBondContact O-CG1 3.49Å; K70-I74 PolarHBondContact O-N 3.02Å
71L93.9Very high89.6Confident64 Ų6491.6 Ų91.634%0.33548%0.484SS..Hα-helixtrans-64-41.6176.5-74.6171.7000111.8M1 L46 L49 I67 L68 K69 I74 Y75M1-L71 HydrophobicContact CE-CD1 4.32Å; M1-L71 HydrophobicContact CE-CD2 3.93Å; M1-L71 HydrophobicContact CE-CG 4.45Å; L46-L71 HydrophobicContact CD1-CD2 3.55Å; L49-L71 HydrophobicContact CD2-CD2 3.81Å; L49-L71 HydrophobicContact CD2-CG 3.82Å; I67-L71 HydrophobicContact CG2-CD1 3.9Å; I67-L71 HydrophobicContact CG2-CG 4.41Å; I67-L71 WeakPolarHBondContact O-CB 3.39Å; I67-L71 VanDerWaalsContact O-CG 3.31Å; I67-L71 WeakPolarHBondContact O-CG 3.43Å; I67-L71 PolarHBondContact O-N 3.42Å; L68-L71 PolarHBondContact O-N 2.97Å; L68-L71 VanDerWaalsContact O-N 3.12Å; K69-L71 VanDerWaalsContact C-N 3.35Å; K69-L71 PolarHBondContact O-N 3.13Å; L71-I74 PolarHBondContact O-N 3.17Å; L71-Y75 VanDerWaalsContact O-CB 3.29Å; L71-Y75 WeakPolarHBondContact O-CB 3.27Å; L71-Y75 PolarHBondContact O-N 3.4Å
72E93.6Very high87.8Confident91 Ų9195.5 Ų95.543%0.42552%0.522SS..Hα-helixtrans-62.5-41.5174.5-70.8176.4-173.800112.2L68 K69 Y75 K76L68-E72 HydrophobicContact CD1-CG 4.44Å; L68-E72 WeakPolarHBondContact O-CG 3.49Å; L68-E72 PolarHBondContact O-N 3.48Å; K69-E72 PolarHBondContact O-N 2.99Å; E72-Y75 PolarHBondContact O-N 3.48Å; E72-K76 WeakPolarHBondContact O-CB 3.08Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.19Å; E72-K76 PolarHBondContact O-N 2.91Å
73E93Very high87.3Confident104 Ų10498.7 Ų98.749%0.48654%0.538SS..Hα-helixtrans-62.1-45.9175.2-72.6168.9-178.900111.4K69 K70 K76 G77K69-E73 WeakPolarHBondContact CE-OE1 3.28Å; K69-E73 WeakPolarHBondContact O-CG 3.42Å; K69-E73 PolarHBondContact O-N 3.27Å; K70-E73 PolarHBondContact O-N 2.89Å; E73-K76 PolarHBondContact O-N 3.26Å; E73-G77 PolarHBondContact O-N 3.43Å
74I91.3Very high86.8Confident28 Ų2896.9 Ų96.914%0.14454%0.535CS..Hα-helixtrans-61.2-48176.4-68.2164.5000110.3E45 L46 L49 K70 L71 K76 G77 M78E45-I74 HydrophobicContact CB-CD1 3.88Å; E45-I74 HydrophobicContact CB-CG1 3.76Å; L46-I74 HydrophobicContact CD1-CD1 4.49Å; L49-I74 HydrophobicContact CD2-CD1 4.34Å; K70-I74 WeakPolarHBondContact O-CD1 3.41Å; K70-I74 WeakPolarHBondContact O-CG1 3.49Å; K70-I74 PolarHBondContact O-N 3.02Å; L71-I74 PolarHBondContact O-N 3.17Å; I74-K76 PolarHBondContact O-N 2.93Å; I74-G77 PolarHBondContact O-N 2.83Å; I74-G77 VanDerWaalsContact O-N 3.16Å; I74-M78 HydrophobicContact CG2-SD 4.01Å; I74-M78 WeakPolarHBondContact O-CG 3.35Å; I74-M78 PolarHBondContact O-N 2.5Å
75Y89.2Confident86.2Confident104 Ų10492 Ų9241%0.40852%0.52SS..Hα-helixtrans-60.3-45.5-179.1178-105.3000112.2L71 E72 G77 M78 C80 P82L71-Y75 VanDerWaalsContact O-CB 3.29Å; L71-Y75 WeakPolarHBondContact O-CB 3.27Å; L71-Y75 PolarHBondContact O-N 3.4Å; E72-Y75 PolarHBondContact O-N 3.48Å; Y75-G77 VanDerWaalsContact C-N 3.34Å; Y75-G77 PolarHBondContact O-N 3.28Å; Y75-M78 PolarHBondContact O-N 3.47Å; Y75-C80 HydrophobicContact CD2-CB 4.12Å; Y75-C80 HydrophobicContact CE1-CB 4.32Å; Y75-C80 WeakPolarHBondContact CE1-O 3.4Å; Y75-C80 HydrophobicContact CE2-CB 3.53Å; Y75-C80 PolarHBondContact OH-SG 3.07Å; Y75-P82 HydrophobicContact CE1-CG 4.33Å
76K89.5Confident85.6Confident149 Ų14993.1 Ų93.165%0.64852%0.515SS*.Hα-helixtrans-63.6-39.6174.6-71.7171-174.7170.40112E72 E73 I74 M78 G79E72-K76 WeakPolarHBondContact O-CB 3.08Å; E72-K76 VanDerWaalsContact O-CG 3.28Å; E72-K76 WeakPolarHBondContact O-CG 3.19Å; E72-K76 PolarHBondContact O-N 2.91Å; E73-K76 PolarHBondContact O-N 3.26Å; I74-K76 PolarHBondContact O-N 2.93Å; K76-M78 PolarHBondContact O-N 3.2Å; K76-G79 PolarHBondContact O-N 3.11Å
77G86.3Confident84.9Confident69 Ų6994.1 Ų94.171%0.71152%0.521SS*.Hα-helixtrans-64.8-25.9177.300000113.9E73 I74 Y75 G79E73-G77 PolarHBondContact O-N 3.43Å; I74-G77 PolarHBondContact O-N 2.83Å; I74-G77 VanDerWaalsContact O-N 3.16Å; Y75-G77 VanDerWaalsContact C-N 3.34Å; Y75-G77 PolarHBondContact O-N 3.28Å; G77-G79 PolarHBondContact O-N 2.9Å
78M81.3Confident84.1Confident124 Ų12498.6 Ų98.661%0.61155%0.547SS*.THydrogen-bonded Turntrans-77.33.1175.7-69172.768.100113.5P43 I74 Y75 K76 C80P43-M78 HydrophobicContact CG-CE 4.43Å; P43-M78 HydrophobicContact CG-SD 4.41Å; I74-M78 HydrophobicContact CG2-SD 4.01Å; I74-M78 WeakPolarHBondContact O-CG 3.35Å; I74-M78 PolarHBondContact O-N 2.5Å; Y75-M78 PolarHBondContact O-N 3.47Å; K76-M78 PolarHBondContact O-N 3.2Å; M78-C80 PolarHBondContact O-N 3.39Å
79G74.1Confident83.2Confident61 Ų6198.6 Ų98.663%0.62955%0.549SS*.THydrogen-bonded Turntrans7410.3178.500000114K76 G77 T81K76-G79 PolarHBondContact O-N 3.11Å; G77-G79 PolarHBondContact O-N 2.9Å; G79-T81 PolarHBondContact O-N 3Å
80C63.6Low82.2Confident60 Ų6096.5 Ų96.541%0.40555%0.549SS..  trans-85.286.3173.4-151.20000107.8Y75 M78Y75-C80 HydrophobicContact CD2-CB 4.12Å; Y75-C80 HydrophobicContact CE1-CB 4.32Å; Y75-C80 WeakPolarHBondContact CE1-O 3.4Å; Y75-C80 HydrophobicContact CE2-CB 3.53Å; Y75-C80 PolarHBondContact OH-SG 3.07Å; M78-C80 PolarHBondContact O-N 3.39Å
81T57.7Low81.1Confident122 Ų12296.1 Ų96.175%0.74856%0.558SS**  trans-75.3132.2160.150.50000107.5G79G79-T81 PolarHBondContact O-N 3Å
82P59.8Low79.9Confident177 Ų17799 Ų99100%1.14958%0.579SS**  trans-52.30172.7-23.532.5000113.1Y75Y75-P82 HydrophobicContact CE1-CG 4.33Å

Retrieved 82 of 82 residues in 41.8 ms (Link to these results)