G4VGF2_SCHMA Loading...

Copper transport protein ATOX1

Binds and deliver cytosolic copper to the copper ATPase proteins. May be important in cellular antioxidant defense.

AlphaFold DB , UniProt , Accession G4VGF2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 73 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
1M46.5Very low84Confident244 Ų24489.7 Ų89.7100%1.20246%0.461SS*.  0101.10-69.7167.7-176.900105.6G3M1-G3 PolarHBondContact O-N 3.29Å; M1-G3 VanDerWaalsContact O-N 3.13Å
2E54.6Low84.7Confident203 Ų20382.3 Ų82.395%0.94942%0.422SS*.  trans-68.3108.2175.5-69.7170.2114.800107Q4E2-Q4 PolarHBondContact O-N 2.92Å
3G70.1Confident85Confident42 Ų4284.5 Ų84.543%0.43343%0.43SS..PPolyproline II helixtrans-61125.5-178.200000109.8M1 V5 T51M1-G3 PolarHBondContact O-N 3.29Å; M1-G3 VanDerWaalsContact O-N 3.13Å; G3-V5 PolarHBondContact O-N 2.69Å; G3-T51 WeakPolarHBondContact O-CG2 3.27Å
4Q85.6Confident85.1Confident140 Ų14078.9 Ų78.965%0.65440%0.402SS*.PPolyproline II helixtrans-61125.8173.1179.6177.753.500109E2 R6E2-Q4 PolarHBondContact O-N 2.92Å; Q4-R6 PolarHBondContact O-N 3.21Å
5V91.6Very high85.1Confident69 Ų6980.1 Ų80.142%0.41842%0.42SS..PPolyproline II helixtrans-66.2127.6171.8-179.70000108.5G3 K35 Q49 T50 T51G3-V5 PolarHBondContact O-N 2.69Å; V5-K35 HydrophobicContact CG1-CG 4.27Å; V5-K35 HydrophobicContact CG2-CG 4.24Å; V5-Q49 HydrophobicContact CG1-CB 4.18Å; V5-T50 CarbonylContact C-O 3.52Å; V5-T50 WeakPolarHBondContact CA-O 3.47Å; V5-T51 HydrophobicContact CG2-CG2 3.91Å
6R94.1Very high85.3Confident123 Ų12379.2 Ų79.246%0.46442%0.421SS..EExtended strand (participates in β ladder)trans-123154178.3-67.2177.1176.9177-3.8109.9Q4 Y8 Q49 T50Q4-R6 PolarHBondContact O-N 3.21Å; R6-Y8 HydrophobicContact CB-CE1 4.3Å; R6-Y8 HydrophobicContact CB-CE2 4.05Å; R6-Y8 WeakPolarHBondContact CD-OH 3.43Å; R6-Q49 CarbonylContact O-C 3.54Å; R6-Q49 VanDerWaalsContact O-CA 3.32Å; R6-Q49 WeakPolarHBondContact O-CA 3.41Å; R6-T50 PolarHBondContact N-O 2.84Å; R6-T50 PolarHBondContact O-N 3.29Å
7T96.6Very high85.6Confident61 Ų6182.2 Ų82.237%0.37443%0.432SS..EExtended strand (participates in β ladder)trans-112.4119.3179-55.10000109.2T47 V48 Q49T7-T47 HydrophobicContact CG2-CG2 3.58Å; T7-V48 CarbonylContact C-O 3.56Å; T7-V48 WeakPolarHBondContact CA-O 3.35Å; T7-Q49 HydrophobicContact CG2-CG 4.24Å
8Y96.5Very high85.9Confident8 Ų879.9 Ų79.93%0.03143%0.432CS..EExtended strand (participates in β ladder)trans-111.9134.8176.3-58.3-60.2000110.2R6 F10 T47 V48 T50 L52 A54 V57 L70 T72R6-Y8 HydrophobicContact CB-CE1 4.3Å; R6-Y8 HydrophobicContact CB-CE2 4.05Å; R6-Y8 WeakPolarHBondContact CD-OH 3.43Å; Y8-F10 VanDerWaalsContact CB-CE2 3.44Å; Y8-F10 HydrophobicContact CG-CE2 4.46Å; Y8-F10 HydrophobicContact CG-CZ 4.47Å; Y8-T47 CarbonylContact O-C 3.59Å; Y8-T47 WeakPolarHBondContact O-CA 3.49Å; Y8-V48 PolarHBondContact N-O 3.2Å; Y8-V48 PolarHBondContact O-N 3.39Å; Y8-T50 HydrophobicContact CD2-CG2 3.7Å; Y8-T50 HydrophobicContact CE2-CG2 3.65Å; Y8-L52 WeakPolarHBondContact CE2-O 3.38Å; Y8-A54 HydrophobicContact CD1-CB 3.78Å; Y8-A54 HydrophobicContact CD2-CB 4.36Å; Y8-A54 HydrophobicContact CE1-CB 3.6Å; Y8-A54 HydrophobicContact CE2-CB 4.18Å; Y8-A54 HydrophobicContact CG-CB 4.17Å; Y8-A54 PolarHBondContact OH-N 3.28Å; Y8-V57 HydrophobicContact CD2-CG2 4.32Å; Y8-L70 HydrophobicContact CD1-CD1 4.34Å; Y8-T72 WeakPolarHBondContact CA-O 3.4Å
9T96.5Very high86.2Confident32 Ų3276.3 Ų76.320%0.19641%0.413CS..EExtended strand (participates in β ladder)trans-112.9123.2173.4-56.40000109.1T45 V46 V71 T72T9-T45 HydrophobicContact CG2-CG2 4.27Å; T9-V46 WeakPolarHBondContact CA-O 3.39Å; T9-V71 WeakPolarHBondContact O-CB 3.43Å; T9-V71 PolarHBondContact O-N 3.3Å; T9-T72 PolarHBondContact N-O 2.83Å; T9-T72 PolarHBondContact O-N 3.41Å
10F96.7Very high86.5Confident0 Ų072.8 Ų72.80%040%0.395CS..EExtended strand (participates in β ladder)trans-109.9139176.5-59-90000109.8Y8 T45 V46 V48 V57 L58 L61 I68 V69 L70Y8-F10 VanDerWaalsContact CB-CE2 3.44Å; Y8-F10 HydrophobicContact CG-CE2 4.46Å; Y8-F10 HydrophobicContact CG-CZ 4.47Å; F10-T45 CarbonylContact O-C 3.58Å; F10-T45 VanDerWaalsContact O-CA 3.24Å; F10-T45 WeakPolarHBondContact O-CA 3.29Å; F10-V46 HydrophobicContact CB-CB 4.47Å; F10-V46 PolarHBondContact N-O 2.83Å; F10-V46 PolarHBondContact O-N 3.45Å; F10-V48 HydrophobicContact CD2-CG2 4.49Å; F10-V48 HydrophobicContact CE2-CG2 4.43Å; F10-V57 HydrophobicContact CD2-CG1 4.38Å; F10-V57 HydrophobicContact CE2-CB 4.12Å; F10-V57 HydrophobicContact CE2-CG1 3.42Å; F10-V57 VanDerWaalsContact CE2-CG1 3.42Å; F10-V57 HydrophobicContact CZ-CB 3.86Å; F10-V57 HydrophobicContact CZ-CG1 3.66Å; F10-L58 HydrophobicContact CD1-CD1 4.07Å; F10-L58 HydrophobicContact CE1-CB 3.91Å; F10-L58 HydrophobicContact CE1-CD1 4.05Å; F10-L61 HydrophobicContact CB-CD1 4.1Å; F10-L61 HydrophobicContact CD1-CD1 4.13Å; F10-L61 HydrophobicContact CD2-CD1 3.63Å; F10-L61 HydrophobicContact CE2-CD1 4.06Å; F10-L61 HydrophobicContact CG-CD1 3.67Å; F10-L61 HydrophobicContact CZ-CD1 4.48Å; F10-I68 HydrophobicContact CB-CG2 3.95Å; F10-I68 HydrophobicContact CD1-CG2 4Å; F10-I68 HydrophobicContact CG-CG2 4.31Å; F10-V69 CarbonylContact C-O 3.51Å; F10-V69 VanDerWaalsContact CA-O 3.27Å; F10-V69 WeakPolarHBondContact CA-O 3.41Å; F10-L70 HydrophobicContact CD1-CB 4.23Å; F10-L70 HydrophobicContact CD1-CD1 4Å; F10-L70 HydrophobicContact CE1-CB 4.14Å; F10-L70 HydrophobicContact CE1-CD1 3.58Å; F10-L70 HydrophobicContact CE1-CG 4.44Å; F10-L70 HydrophobicContact CE2-CD1 4.42Å; F10-L70 HydrophobicContact CZ-CD1 3.82Å
11N95.2Very high86.9Confident65 Ų6575.8 Ų75.835%0.34841%0.405SS..EExtended strand (participates in β ladder)trans-92.1119.7164.1-173.9-76.1000108N44 I68 V69 V71N11-N44 CarbonylContact C-O 3.54Å; N11-N44 VanDerWaalsContact CA-O 3.26Å; N11-N44 WeakPolarHBondContact CA-O 3.3Å; N11-I68 CarbonylContact O-C 3.59Å; N11-I68 VanDerWaalsContact O-CA 3.27Å; N11-I68 WeakPolarHBondContact O-CA 3.35Å; N11-V69 HydrophobicContact CB-CG2 3.79Å; N11-V69 PolarHBondContact N-O 3.39Å; N11-V69 PolarHBondContact O-N 3.31Å; N11-V71 HydrophobicContact CB-CG2 3.58Å
12M92.8Very high89.2Confident0 Ų066 Ų660%036%0.363CS..EExtended strand (participates in β ladder)trans-127.1130.3-177.5175.6175.3173.400108.6M14 A23 N44 V46 T64 K66 K67 I68M12-M14 HydrophobicContact CB-CG 4.39Å; M12-M14 HydrophobicContact CG-CG 4.09Å; M12-M14 WeakPolarHBondContact O-CG 3.33Å; M12-M14 PolarHBondContact O-N 3.02Å; M12-M14 HydrophobicContact SD-CG 4.48Å; M12-A23 HydrophobicContact CE-CB 4.11Å; M12-A23 HydrophobicContact SD-CB 3.73Å; M12-N44 PolarHBondContact N-O 2.85Å; M12-N44 WeakPolarHBondContact O-CB 3.18Å; M12-V46 HydrophobicContact CB-CG2 4.14Å; M12-V46 HydrophobicContact SD-CG2 4.11Å; M12-T64 HydrophobicContact CE-CG2 3.93Å; M12-T64 WeakPolarHBondContact CE-OG1 3.32Å; M12-K66 HydrophobicContact CE-CB 3.7Å; M12-K66 HydrophobicContact CE-CG 3.42Å; M12-K66 VanDerWaalsContact CE-CG 3.42Å; M12-K66 HydrophobicContact CG-CB 4.04Å; M12-K67 WeakPolarHBondContact CA-O 3.35Å; M12-I68 HydrophobicContact CB-CG1 3.82Å; M12-I68 HydrophobicContact CG-CD1 4.31Å; M12-I68 HydrophobicContact CG-CG1 3.58Å; M12-I68 HydrophobicContact SD-CD1 4.25Å; M12-I68 HydrophobicContact SD-CG1 4.08Å
13E88.6Confident91.1Very high111 Ų11156.4 Ų56.452%0.51932%0.318SS..  trans-64.6100.9177.1-169.3177.6-179.500110.8K67E13-K67 PolarHBondContact N-O 2.73Å; E13-K67 VanDerWaalsContact N-O 3.08Å
14M85.8Confident92.3Very high7 Ų758.2 Ų58.23%0.03431%0.313CS..  trans-11497.5-177-70.3-169.2-73.100110M12 C16 C19 A20 S40 N44 T45 V46M12-M14 HydrophobicContact CB-CG 4.39Å; M12-M14 HydrophobicContact CG-CG 4.09Å; M12-M14 WeakPolarHBondContact O-CG 3.33Å; M12-M14 PolarHBondContact O-N 3.02Å; M12-M14 HydrophobicContact SD-CG 4.48Å; M14-C16 VanDerWaalsContact C-N 3.29Å; M14-C16 PolarHBondContact O-N 3.42Å; M14-C19 HydrophobicContact CB-CB 3.96Å; M14-C19 HydrophobicContact CG-CB 3.8Å; M14-A20 HydrophobicContact SD-CB 3.77Å; M14-S40 WeakPolarHBondContact CE-O 3.32Å; M14-N44 PolarHBondContact N-OD1 2.97Å; M14-N44 PolarHBondContact O-OD1 3.45Å; M14-T45 VanDerWaalsContact CE-O 3.3Å; M14-T45 WeakPolarHBondContact CE-O 3.07Å; M14-V46 HydrophobicContact CE-CG2 4.3Å; M14-V46 HydrophobicContact SD-CG2 4.36Å
15S84.7Confident92.7Very high97 Ų9761.1 Ų61.168%0.67832%0.319SS*.SBendtrans-79.9-11.1179-38.50000113.6
16C89.1Confident92.9Very high65 Ų6558.8 Ų58.844%0.43930%0.304SS..SBendtrans-164.5169.8-179.267.60000111.6M14 G18 C19M14-C16 VanDerWaalsContact C-N 3.29Å; M14-C16 PolarHBondContact O-N 3.42Å; C16-G18 PolarHBondContact O-N 3.09Å; C16-G18 VanDerWaalsContact O-N 3.09Å; C16-G18 PolarHBondContact SG-N 3.43Å; C16-G18 VanDerWaalsContact SG-N 3.42Å; C16-C19 WeakPolarHBondContact O-CB 3.4Å; C16-C19 PolarHBondContact O-N 3.38Å
17E89.9Confident93Very high130 Ų13053 Ų5361%0.60728%0.282SS*.Hα-helixtrans-55.9-26.1173.3-64.6-174.1174.700113.8C19 A20 K21E17-C19 VanDerWaalsContact C-N 3.28Å; E17-C19 PolarHBondContact O-N 2.63Å; E17-A20 PolarHBondContact O-N 2.99Å; E17-K21 WeakPolarHBondContact O-CG 3.46Å; E17-K21 PolarHBondContact O-N 3.45Å; E17-K21 IonicContact OE2-NZ 3.76Å
18G91.9Very high92.8Very high42 Ų4256 Ų5643%0.43329%0.294SS..Hα-helixtrans-60.7-36.3175.500000112.7C16 K21 A22C16-G18 PolarHBondContact O-N 3.09Å; C16-G18 VanDerWaalsContact O-N 3.09Å; C16-G18 PolarHBondContact SG-N 3.43Å; C16-G18 VanDerWaalsContact SG-N 3.42Å; G18-K21 PolarHBondContact O-N 3.17Å; G18-A22 PolarHBondContact O-N 3.09Å
19C91.1Very high92.7Very high11 Ų1160 Ų607%0.07432%0.319CS..Hα-helixtrans-69.9-42177-59.70000111M14 C16 E17 K21 A22 A23M14-C19 HydrophobicContact CB-CB 3.96Å; M14-C19 HydrophobicContact CG-CB 3.8Å; C16-C19 WeakPolarHBondContact O-CB 3.4Å; C16-C19 PolarHBondContact O-N 3.38Å; E17-C19 VanDerWaalsContact C-N 3.28Å; E17-C19 PolarHBondContact O-N 2.63Å; C19-K21 VanDerWaalsContact C-N 3.33Å; C19-K21 PolarHBondContact O-N 3.2Å; C19-A22 WeakPolarHBondContact O-CB 3.44Å; C19-A22 PolarHBondContact O-N 2.91Å; C19-A23 PolarHBondContact O-N 3.3Å
20A93Very high92.6Very high6 Ų660.8 Ų60.85%0.0532%0.322CS..Hα-helixtrans-61.3-41.5174.500000111.9M14 E17 A23 K24 T39 V41M14-A20 HydrophobicContact SD-CB 3.77Å; E17-A20 PolarHBondContact O-N 2.99Å; A20-A23 PolarHBondContact O-N 3.08Å; A20-K24 PolarHBondContact O-N 2.93Å; A20-T39 HydrophobicContact CB-CG2 4.32Å; A20-V41 HydrophobicContact CB-CG2 3.96Å
21K94Very high92.5Very high136 Ų13662.6 Ų62.659%0.59134%0.341SS*.Hα-helixtrans-64.6-39.4174.6-73.1173.6-175.4167.70112E17 G18 C19 K24 R25E17-K21 WeakPolarHBondContact O-CG 3.46Å; E17-K21 PolarHBondContact O-N 3.45Å; E17-K21 IonicContact OE2-NZ 3.76Å; G18-K21 PolarHBondContact O-N 3.17Å; C19-K21 VanDerWaalsContact C-N 3.33Å; C19-K21 PolarHBondContact O-N 3.2Å; K21-K24 PolarHBondContact O-N 2.91Å; K21-R25 VanDerWaalsContact O-CB 3.31Å; K21-R25 WeakPolarHBondContact O-CB 3.16Å; K21-R25 PolarHBondContact O-N 2.65Å
22A94Very high92.4Very high39 Ų3966.6 Ų66.632%0.32236%0.362SS..Hα-helixtrans-63-46.3175.600000111.7G18 C19 K24 R25 V26 T64G18-A22 PolarHBondContact O-N 3.09Å; C19-A22 WeakPolarHBondContact O-CB 3.44Å; C19-A22 PolarHBondContact O-N 2.91Å; A22-K24 PolarHBondContact O-N 3.37Å; A22-R25 PolarHBondContact O-N 3.41Å; A22-R25 VanDerWaalsContact O-N 3.16Å; A22-V26 PolarHBondContact O-N 3.21Å; A22-T64 HydrophobicContact CB-CG2 4.23Å
23A95.3Very high92.4Very high0 Ų067.5 Ų67.50%037%0.37CS..Hα-helixtrans-57.1-49.9175.300000111.8M12 C19 A20 R25 V26 L27 V46 L61M12-A23 HydrophobicContact CE-CB 4.11Å; M12-A23 HydrophobicContact SD-CB 3.73Å; C19-A23 PolarHBondContact O-N 3.3Å; A20-A23 PolarHBondContact O-N 3.08Å; A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.11Å; A23-V26 WeakPolarHBondContact O-CG2 3.27Å; A23-V26 PolarHBondContact O-N 3.46Å; A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.37Å; A23-L27 VanDerWaalsContact O-N 3.11Å; A23-V46 HydrophobicContact CB-CG2 4.1Å; A23-L61 HydrophobicContact CB-CD2 3.88Å
24K94.7Very high92.7Very high80 Ų8063.1 Ų63.135%0.34835%0.35SS..Hα-helixtrans-57.8-43.7174.8-76.5178.9172.5176.10111.9A20 K21 A22 L27 M28 V37 T39A20-K24 PolarHBondContact O-N 2.93Å; K21-K24 PolarHBondContact O-N 2.91Å; A22-K24 PolarHBondContact O-N 3.37Å; K24-L27 PolarHBondContact O-N 3.16Å; K24-M28 WeakPolarHBondContact O-CB 3.26Å; K24-M28 WeakPolarHBondContact O-CG 3.2Å; K24-M28 PolarHBondContact O-N 2.91Å; K24-V37 HydrophobicContact CG-CG1 3.81Å; K24-T39 HydrophobicContact CD-CG2 4.21Å; K24-T39 WeakPolarHBondContact CE-OG1 2.74Å; K24-T39 HydrophobicContact CG-CG2 3.85Å; K24-T39 PolarHBondContact NZ-OG1 2.71Å
25R95.1Very high93.1Very high202 Ų20268.7 Ų68.776%0.76237%0.374SS*.Hα-helixtrans-63.9-44.4-176.6-167179.1-175.8-178.40.9112.4K21 A22 A23 T29K21-R25 VanDerWaalsContact O-CB 3.31Å; K21-R25 WeakPolarHBondContact O-CB 3.16Å; K21-R25 PolarHBondContact O-N 2.65Å; A22-R25 PolarHBondContact O-N 3.41Å; A22-R25 VanDerWaalsContact O-N 3.16Å; A23-R25 VanDerWaalsContact C-N 3.31Å; A23-R25 PolarHBondContact O-N 3.11Å; R25-T29 WeakPolarHBondContact O-CG2 3.47Å
26V95.6Very high93.6Very high20 Ų2069 Ų6912%0.12137%0.365CS..Hα-helixtrans-68-41.6178.3-620000111.1A22 A23 M28 T29 K60 L61 E63 T64A22-V26 PolarHBondContact O-N 3.21Å; A23-V26 WeakPolarHBondContact O-CG2 3.27Å; A23-V26 PolarHBondContact O-N 3.46Å; V26-M28 PolarHBondContact O-N 3.45Å; V26-T29 PolarHBondContact O-N 3.03Å; V26-T29 PolarHBondContact O-OG1 3.49Å; V26-K60 HydrophobicContact CB-CD 4.17Å; V26-K60 HydrophobicContact CB-CG 4.05Å; V26-K60 HydrophobicContact CG2-CG 4.37Å; V26-K60 WeakPolarHBondContact CG2-O 3.39Å; V26-K60 WeakPolarHBondContact O-CE 3.45Å; V26-K60 VanDerWaalsContact O-CG 3.32Å; V26-K60 WeakPolarHBondContact O-CG 3.44Å; V26-L61 HydrophobicContact CG2-CD2 4.21Å; V26-E63 HydrophobicContact CG1-CB 4.26Å; V26-T64 HydrophobicContact CG1-CG2 4.06Å; V26-T64 HydrophobicContact CG2-CG2 3.79Å
27L95.9Very high93.9Very high0 Ų067 Ų670%035%0.35CS..Hα-helixtrans-63.1-42177.7-69.8174.4000112.3A23 K24 T29 L30 I34 V37 V46 V48 V57 L61A23-L27 WeakPolarHBondContact O-CB 3.31Å; A23-L27 VanDerWaalsContact O-CG 3.26Å; A23-L27 WeakPolarHBondContact O-CG 3.41Å; A23-L27 PolarHBondContact O-N 3.37Å; A23-L27 VanDerWaalsContact O-N 3.11Å; K24-L27 PolarHBondContact O-N 3.16Å; L27-T29 PolarHBondContact O-N 3.49Å; L27-T29 VanDerWaalsContact O-N 3.08Å; L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 VanDerWaalsContact O-CB 3.27Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 3.02Å; L27-I34 WeakPolarHBondContact O-CG1 3.32Å; L27-V37 HydrophobicContact CB-CG2 4.19Å; L27-V37 HydrophobicContact CD1-CG1 3.61Å; L27-V37 HydrophobicContact CD1-CG2 4.02Å; L27-V46 HydrophobicContact CD1-CG1 3.87Å; L27-V48 HydrophobicContact CD1-CG2 3.49Å; L27-V48 VanDerWaalsContact CD1-CG2 3.49Å; L27-V48 HydrophobicContact CD2-CG2 4.32Å; L27-V57 HydrophobicContact CD2-CG1 3.6Å; L27-L61 HydrophobicContact CD1-CD2 3.89Å; L27-L61 HydrophobicContact CD2-CD2 4.07Å; L27-L61 HydrophobicContact CD2-CG 3.99Å; L27-L61 HydrophobicContact CG-CD2 3.83Å; L27-L61 HydrophobicContact CG-CG 4.32Å
28M92.9Very high94.2Very high124 Ų12466.4 Ų66.461%0.61135%0.347SS*.Hα-helixtrans-61-19.9178.7-72.3-74.5177.400113.5K24 V26 L30 G31K24-M28 WeakPolarHBondContact O-CB 3.26Å; K24-M28 WeakPolarHBondContact O-CG 3.2Å; K24-M28 PolarHBondContact O-N 2.91Å; V26-M28 PolarHBondContact O-N 3.45Å; M28-L30 PolarHBondContact O-N 2.96Å; M28-G31 PolarHBondContact O-N 3.43Å
29T95Very high94.3Very high92 Ų9265.9 Ų65.956%0.56434%0.335SS*.THydrogen-bonded Turntrans-72.1-14.4174.171.10000113.7R25 V26 L27 G31 K60R25-T29 WeakPolarHBondContact O-CG2 3.47Å; V26-T29 PolarHBondContact O-N 3.03Å; V26-T29 PolarHBondContact O-OG1 3.49Å; L27-T29 PolarHBondContact O-N 3.49Å; L27-T29 VanDerWaalsContact O-N 3.08Å; T29-G31 PolarHBondContact O-N 3.2Å; T29-K60 WeakPolarHBondContact OG1-CE 3.49Å; T29-K60 PolarHBondContact OG1-NZ 2.99Å
30L94.2Very high94.3Very high49 Ų4966.5 Ų66.526%0.25734%0.34SS..THydrogen-bonded Turntrans-76.4-4.6172.3-60.8168.5000112.1L27 M28 I34 L52 K60L27-L30 HydrophobicContact CD2-CD1 4.23Å; L27-L30 VanDerWaalsContact O-CB 3.27Å; L27-L30 WeakPolarHBondContact O-CB 3.48Å; L27-L30 PolarHBondContact O-N 3.02Å; M28-L30 PolarHBondContact O-N 2.96Å; L30-I34 HydrophobicContact CB-CD1 4.21Å; L30-I34 HydrophobicContact CB-CG1 3.71Å; L30-I34 HydrophobicContact CD1-CD1 3.84Å; L30-I34 HydrophobicContact CD1-CG1 4.2Å; L30-L52 HydrophobicContact CB-CD1 4.11Å; L30-L52 HydrophobicContact CD1-CD1 3.9Å; L30-L52 HydrophobicContact CD2-CD1 4.02Å; L30-L52 HydrophobicContact CG-CD1 4.23Å; L30-K60 HydrophobicContact CD1-CB 4.1Å; L30-K60 HydrophobicContact CD1-CG 4.04Å; L30-K60 HydrophobicContact CD2-CG 4.37Å; L30-K60 HydrophobicContact CG-CG 4.12Å
31G93Very high94.3Very high38 Ų3868.7 Ų68.739%0.39235%0.353SS..G310 helixtrans62-139.5171.500000113.5M28 T29 A33 I34M28-G31 PolarHBondContact O-N 3.43Å; T29-G31 PolarHBondContact O-N 3.2Å; G31-A33 PolarHBondContact O-N 2.93Å; G31-I34 PolarHBondContact O-N 3.45Å
32D93Very high94.2Very high149 Ų14970.7 Ų70.780%0.79736%0.364SS*.G310 helixtrans-62.8-11.9-171.9-61.8-30.3000114.8I34 K35D32-I34 VanDerWaalsContact C-N 3.28Å; D32-K35 PolarHBondContact O-NZ 3.02Å
33A93.3Very high94.1Very high20 Ų2073.8 Ų73.817%0.16538%0.375CS..G310 helixtrans-69.7-28.2175.100000112G31 T50 T51 L52G31-A33 PolarHBondContact O-N 2.93Å; A33-T50 VanDerWaalsContact O-CA 3.24Å; A33-T50 WeakPolarHBondContact O-CA 3.32Å; A33-T50 PolarHBondContact O-OG1 2.87Å; A33-T51 PolarHBondContact O-N 3.3Å; A33-T51 VanDerWaalsContact O-N 3.14Å; A33-L52 HydrophobicContact CB-CD1 3.86Å; A33-L52 HydrophobicContact CB-CD2 4.11Å; A33-L52 HydrophobicContact CB-CG 3.76Å
34I95.2Very high94Very high19 Ų1976.3 Ų76.310%0.09739%0.389CS..EExtended strand (participates in β ladder)trans-87.3123.1174.6-57.3-64.3000109.3L27 L30 G31 D32 V37 V48L27-I34 WeakPolarHBondContact O-CG1 3.32Å; L30-I34 HydrophobicContact CB-CD1 4.21Å; L30-I34 HydrophobicContact CB-CG1 3.71Å; L30-I34 HydrophobicContact CD1-CD1 3.84Å; L30-I34 HydrophobicContact CD1-CG1 4.2Å; G31-I34 PolarHBondContact O-N 3.45Å; D32-I34 VanDerWaalsContact C-N 3.28Å; I34-V37 HydrophobicContact CG2-CG2 3.39Å; I34-V48 HydrophobicContact CD1-CG1 3.66Å; I34-V48 HydrophobicContact CG2-CG1 4.36Å
35K94.7Very high94Very high124 Ų12474 Ų7454%0.53938%0.381SS..EExtended strand (participates in β ladder)trans-94-39.3177.4-58.8-49.9-176-163.40112.1V5 D32 Q49V5-K35 HydrophobicContact CG1-CG 4.27Å; V5-K35 HydrophobicContact CG2-CG 4.24Å; D32-K35 PolarHBondContact O-NZ 3.02Å; K35-Q49 HydrophobicContact CB-CB 4.08Å; K35-Q49 PolarHBondContact N-O 2.95Å
36E95.3Very high94.1Very high104 Ų10464.3 Ų64.349%0.48635%0.345SS..EExtended strand (participates in β ladder)trans-152.5144.6-177.6-167.7166.3-169.200110.8V48 Q49E36-V48 WeakPolarHBondContact O-CA 3.44Å; E36-Q49 HydrophobicContact CB-CB 3.99Å; E36-Q49 HydrophobicContact CB-CG 4.24Å; E36-Q49 PolarHBondContact N-O 3.08Å; E36-Q49 PolarHBondContact O-N 3.37Å; E36-Q49 PolarHBondContact OE2-NE2 2.93Å
37V95.7Very high94.1Very high21 Ų2164.9 Ų64.913%0.12735%0.348CS..EExtended strand (participates in β ladder)trans-134.8114172.7-175.20000109.4K24 L27 I34 T39 V46 T47K24-V37 HydrophobicContact CG-CG1 3.81Å; L27-V37 HydrophobicContact CB-CG2 4.19Å; L27-V37 HydrophobicContact CD1-CG1 3.61Å; L27-V37 HydrophobicContact CD1-CG2 4.02Å; I34-V37 HydrophobicContact CG2-CG2 3.39Å; V37-T39 HydrophobicContact CG1-CG2 4.38Å; V37-V46 HydrophobicContact CG1-CG1 4.28Å; V37-T47 WeakPolarHBondContact CA-O 3.26Å
38E94.8Very high94.1Very high119 Ų11964.9 Ų64.956%0.55635%0.348SS*.EExtended strand (participates in β ladder)trans-107.9141.2172.2-166.7-177.6178.900109.7V46 T47E38-V46 CarbonylContact O-C 3.51Å; E38-V46 WeakPolarHBondContact O-CA 3.42Å; E38-T47 PolarHBondContact N-O 2.9Å; E38-T47 PolarHBondContact O-N 2.98Å
39T94Very high94.3Very high30 Ų3062 Ų6218%0.18433%0.333CS..EExtended strand (participates in β ladder)trans-134.2130.6178.955.10000109.4A20 K24 V37 T45 V46A20-T39 HydrophobicContact CB-CG2 4.32Å; K24-T39 HydrophobicContact CD-CG2 4.21Å; K24-T39 WeakPolarHBondContact CE-OG1 2.74Å; K24-T39 HydrophobicContact CG-CG2 3.85Å; K24-T39 PolarHBondContact NZ-OG1 2.71Å; V37-T39 HydrophobicContact CG1-CG2 4.38Å; T39-T45 WeakPolarHBondContact CA-O 3.46Å; T39-V46 HydrophobicContact CG2-CG1 4.2Å; T39-V46 HydrophobicContact CG2-CG2 4.25Å
40S92.9Very high94.3Very high24 Ų2457.7 Ų57.717%0.16831%0.307CS..EExtended strand (participates in β ladder)trans-120.5107.7174.6179.60000109.8M14 E42 N43 N44 T45M14-S40 WeakPolarHBondContact CE-O 3.32Å; S40-E42 VanDerWaalsContact C-N 3.26Å; S40-N43 PolarHBondContact O-N 3.27Å; S40-N43 PolarHBondContact OG-N 3.1Å; S40-N43 PolarHBondContact OG-ND2 3.47Å; S40-N44 WeakPolarHBondContact O-CA 3.06Å; S40-N44 PolarHBondContact O-N 3.35Å; S40-T45 PolarHBondContact N-O 3.21Å; S40-T45 PolarHBondContact O-N 2.94Å
41V91.6Very high94.3Very high52 Ų5257.9 Ų57.932%0.31531%0.31SS..THydrogen-bonded Turntrans-64.8-36.1174.3-179.40000110.3A20 N43 N44A20-V41 HydrophobicContact CB-CG2 3.96Å; V41-N43 VanDerWaalsContact C-N 3.35Å; V41-N43 PolarHBondContact O-N 2.84Å; V41-N44 PolarHBondContact O-N 2.85Å
42E91.2Very high94.4Very high179 Ų17957.9 Ų57.984%0.83630%0.301SS*.THydrogen-bonded Turntrans-60.2-43.3177.4-62.8179.4175.600112.1S40S40-E42 VanDerWaalsContact C-N 3.26Å
43N92.4Very high94.4Very high104 Ų10453.9 Ų53.956%0.55628%0.283SS*.THydrogen-bonded Turntrans-95.5-3.5-177.4-62.7-50.3000113.8S40 V41 T45S40-N43 PolarHBondContact O-N 3.27Å; S40-N43 PolarHBondContact OG-N 3.1Å; S40-N43 PolarHBondContact OG-ND2 3.47Å; V41-N43 VanDerWaalsContact C-N 3.35Å; V41-N43 PolarHBondContact O-N 2.84Å; N43-T45 HydrophobicContact CB-CG2 4.09Å; N43-T45 PolarHBondContact O-N 3.41Å
44N94.4Very high94.5Very high53 Ų5353.7 Ų53.728%0.28328%0.281SS..THydrogen-bonded Turntrans54.238.3-170.4-70.2-71.8000112.8N11 M12 M14 S40 V41N11-N44 CarbonylContact C-O 3.54Å; N11-N44 VanDerWaalsContact CA-O 3.26Å; N11-N44 WeakPolarHBondContact CA-O 3.3Å; M12-N44 PolarHBondContact N-O 2.85Å; M12-N44 WeakPolarHBondContact O-CB 3.18Å; M14-N44 PolarHBondContact N-OD1 2.97Å; M14-N44 PolarHBondContact O-OD1 3.45Å; S40-N44 WeakPolarHBondContact O-CA 3.06Å; S40-N44 PolarHBondContact O-N 3.35Å; V41-N44 PolarHBondContact O-N 2.85Å
45T94.8Very high94.4Very high30 Ų3058.5 Ų58.518%0.18431%0.307CS..EExtended strand (participates in β ladder)trans-116.9146.1-177.156.50000113.9T9 F10 M14 T39 S40 N43T9-T45 HydrophobicContact CG2-CG2 4.27Å; F10-T45 CarbonylContact O-C 3.58Å; F10-T45 VanDerWaalsContact O-CA 3.24Å; F10-T45 WeakPolarHBondContact O-CA 3.29Å; M14-T45 VanDerWaalsContact CE-O 3.3Å; M14-T45 WeakPolarHBondContact CE-O 3.07Å; T39-T45 WeakPolarHBondContact CA-O 3.46Å; S40-T45 PolarHBondContact N-O 3.21Å; S40-T45 PolarHBondContact O-N 2.94Å; N43-T45 HydrophobicContact CB-CG2 4.09Å; N43-T45 PolarHBondContact O-N 3.41Å
46V95.9Very high94.4Very high0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-124.4115.5169.5-174.90000107.8T9 F10 M12 M14 A23 L27 V37 E38 T39 V48 L61T9-V46 WeakPolarHBondContact CA-O 3.39Å; F10-V46 HydrophobicContact CB-CB 4.47Å; F10-V46 PolarHBondContact N-O 2.83Å; F10-V46 PolarHBondContact O-N 3.45Å; M12-V46 HydrophobicContact CB-CG2 4.14Å; M12-V46 HydrophobicContact SD-CG2 4.11Å; M14-V46 HydrophobicContact CE-CG2 4.3Å; M14-V46 HydrophobicContact SD-CG2 4.36Å; A23-V46 HydrophobicContact CB-CG2 4.1Å; L27-V46 HydrophobicContact CD1-CG1 3.87Å; V37-V46 HydrophobicContact CG1-CG1 4.28Å; E38-V46 CarbonylContact O-C 3.51Å; E38-V46 WeakPolarHBondContact O-CA 3.42Å; T39-V46 HydrophobicContact CG2-CG1 4.2Å; T39-V46 HydrophobicContact CG2-CG2 4.25Å; V46-V48 HydrophobicContact CG1-CG2 3.95Å; V46-L61 HydrophobicContact CG1-CD2 4.47Å
47T96.3Very high94.4Very high32 Ų3251.4 Ų51.420%0.19628%0.279CS..EExtended strand (participates in β ladder)trans-104.6128.6177.2-50.80000108.8T7 Y8 V37 E38T7-T47 HydrophobicContact CG2-CG2 3.58Å; Y8-T47 CarbonylContact O-C 3.59Å; Y8-T47 WeakPolarHBondContact O-CA 3.49Å; V37-T47 WeakPolarHBondContact CA-O 3.26Å; E38-T47 PolarHBondContact N-O 2.9Å; E38-T47 PolarHBondContact O-N 2.98Å
48V96.2Very high94.4Very high0 Ų052.3 Ų52.30%028%0.282CS..EExtended strand (participates in β ladder)trans-129.1125.9-174.5-174.20000109.7T7 Y8 F10 L27 I34 E36 V46 T50 V57T7-V48 CarbonylContact C-O 3.56Å; T7-V48 WeakPolarHBondContact CA-O 3.35Å; Y8-V48 PolarHBondContact N-O 3.2Å; Y8-V48 PolarHBondContact O-N 3.39Å; F10-V48 HydrophobicContact CD2-CG2 4.49Å; F10-V48 HydrophobicContact CE2-CG2 4.43Å; L27-V48 HydrophobicContact CD1-CG2 3.49Å; L27-V48 VanDerWaalsContact CD1-CG2 3.49Å; L27-V48 HydrophobicContact CD2-CG2 4.32Å; I34-V48 HydrophobicContact CD1-CG1 3.66Å; I34-V48 HydrophobicContact CG2-CG1 4.36Å; E36-V48 WeakPolarHBondContact O-CA 3.44Å; V46-V48 HydrophobicContact CG1-CG2 3.95Å; V48-T50 HydrophobicContact CG1-CG2 4.4Å; V48-V57 HydrophobicContact CB-CG1 4.26Å; V48-V57 HydrophobicContact CG1-CG1 4.22Å; V48-V57 HydrophobicContact CG2-CG1 4.07Å
49Q96.1Very high94.4Very high64 Ų6452.6 Ų52.630%0.29928%0.284SS..EExtended strand (participates in β ladder)trans-97.4124.8166.2-68.8-17944.500109.4V5 R6 T7 K35 E36V5-Q49 HydrophobicContact CG1-CB 4.18Å; R6-Q49 CarbonylContact O-C 3.54Å; R6-Q49 VanDerWaalsContact O-CA 3.32Å; R6-Q49 WeakPolarHBondContact O-CA 3.41Å; T7-Q49 HydrophobicContact CG2-CG 4.24Å; K35-Q49 HydrophobicContact CB-CB 4.08Å; K35-Q49 PolarHBondContact N-O 2.95Å; E36-Q49 HydrophobicContact CB-CB 3.99Å; E36-Q49 HydrophobicContact CB-CG 4.24Å; E36-Q49 PolarHBondContact N-O 3.08Å; E36-Q49 PolarHBondContact O-N 3.37Å; E36-Q49 PolarHBondContact OE2-NE2 2.93Å
50T95.8Very high94.5Very high0 Ų052.8 Ų52.80%028%0.282CS..EExtended strand (participates in β ladder)trans-153.9160.6-173.8-174.70000112.6V5 R6 Y8 A33 V48 L52 V57V5-T50 CarbonylContact C-O 3.52Å; V5-T50 WeakPolarHBondContact CA-O 3.47Å; R6-T50 PolarHBondContact N-O 2.84Å; R6-T50 PolarHBondContact O-N 3.29Å; Y8-T50 HydrophobicContact CD2-CG2 3.7Å; Y8-T50 HydrophobicContact CE2-CG2 3.65Å; A33-T50 VanDerWaalsContact O-CA 3.24Å; A33-T50 WeakPolarHBondContact O-CA 3.32Å; A33-T50 PolarHBondContact O-OG1 2.87Å; V48-T50 HydrophobicContact CG1-CG2 4.4Å; T50-L52 HydrophobicContact CG2-CB 4.24Å; T50-L52 WeakPolarHBondContact OG1-CB 3.27Å; T50-L52 PolarHBondContact OG1-N 3.48Å; T50-V57 HydrophobicContact CG2-CG2 3.76Å
51T94.6Very high94.6Very high54 Ų5451.7 Ų51.733%0.33127%0.274SS..SBendtrans-91.3-3166.760.60000113.1G3 V5 A33G3-T51 WeakPolarHBondContact O-CG2 3.27Å; V5-T51 HydrophobicContact CG2-CG2 3.91Å; A33-T51 PolarHBondContact O-N 3.3Å; A33-T51 VanDerWaalsContact O-N 3.14Å
52L94.5Very high94.7Very high38 Ų3854 Ų5420%0.19928%0.281CS..SBendtrans-81.6158.3178.9-61.9172.9000111.8Y8 L30 A33 T50 D56 V57Y8-L52 WeakPolarHBondContact CE2-O 3.38Å; L30-L52 HydrophobicContact CB-CD1 4.11Å; L30-L52 HydrophobicContact CD1-CD1 3.9Å; L30-L52 HydrophobicContact CD2-CD1 4.02Å; L30-L52 HydrophobicContact CG-CD1 4.23Å; A33-L52 HydrophobicContact CB-CD1 3.86Å; A33-L52 HydrophobicContact CB-CD2 4.11Å; A33-L52 HydrophobicContact CB-CG 3.76Å; T50-L52 HydrophobicContact CG2-CB 4.24Å; T50-L52 WeakPolarHBondContact OG1-CB 3.27Å; T50-L52 PolarHBondContact OG1-N 3.48Å; L52-D56 HydrophobicContact CB-CB 4.26Å; L52-V57 HydrophobicContact CB-CG2 4.43Å
53P93.5Very high94.9Very high64 Ų6450.4 Ų50.442%0.41627%0.265SS..  trans-61154.7165.7-17.530.3000112.4D55 D56 V57P53-D55 PolarHBondContact O-N 3.28Å; P53-D56 WeakPolarHBondContact CD-OD2 3.49Å; P53-D56 PolarHBondContact O-N 2.84Å; P53-V57 PolarHBondContact O-N 3.07Å
54A94Very high94.9Very high16 Ų1646.4 Ų46.413%0.13224%0.244CC..Hα-helixtrans-57.5-35.8176.200000112.5Y8 D56 V57 L58 L70Y8-A54 HydrophobicContact CD1-CB 3.78Å; Y8-A54 HydrophobicContact CD2-CB 4.36Å; Y8-A54 HydrophobicContact CE1-CB 3.6Å; Y8-A54 HydrophobicContact CE2-CB 4.18Å; Y8-A54 HydrophobicContact CG-CB 4.17Å; Y8-A54 PolarHBondContact OH-N 3.28Å; A54-D56 PolarHBondContact O-N 3.35Å; A54-V57 PolarHBondContact O-N 3.06Å; A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 PolarHBondContact O-N 3.21Å; A54-L70 HydrophobicContact CB-CD2 4.06Å
55D93.9Very high94.7Very high120 Ų12052.8 Ų52.864%0.64227%0.272SS*.Hα-helixtrans-64.1-39.8-178.3-62.7-31.2000112.3P53 V57 L58 H59P53-D55 PolarHBondContact O-N 3.28Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.49Å; D55-L58 PolarHBondContact O-N 3.26Å; D55-H59 VanDerWaalsContact O-CB 3.29Å; D55-H59 WeakPolarHBondContact O-CB 3.19Å; D55-H59 PolarHBondContact O-N 2.82Å
56D94.5Very high94.5Very high80 Ų8055.3 Ų55.343%0.42828%0.28SS..Hα-helixtrans-65.1-40.1177.3-71.40.5000111L52 P53 A54 K60L52-D56 HydrophobicContact CB-CB 4.26Å; P53-D56 WeakPolarHBondContact CD-OD2 3.49Å; P53-D56 PolarHBondContact O-N 2.84Å; A54-D56 PolarHBondContact O-N 3.35Å; D56-K60 WeakPolarHBondContact O-CB 3.41Å; D56-K60 PolarHBondContact O-N 3.41Å; D56-K60 VanDerWaalsContact O-N 3.1Å
57V95.6Very high94.3Very high0 Ų062.8 Ų62.80%031%0.313CS..Hα-helixtrans-68-43.8176.9-175.80000110.7Y8 F10 L27 V48 T50 L52 P53 A54 D55 K60 L61Y8-V57 HydrophobicContact CD2-CG2 4.32Å; F10-V57 HydrophobicContact CD2-CG1 4.38Å; F10-V57 HydrophobicContact CE2-CB 4.12Å; F10-V57 HydrophobicContact CE2-CG1 3.42Å; F10-V57 VanDerWaalsContact CE2-CG1 3.42Å; F10-V57 HydrophobicContact CZ-CB 3.86Å; F10-V57 HydrophobicContact CZ-CG1 3.66Å; L27-V57 HydrophobicContact CD2-CG1 3.6Å; V48-V57 HydrophobicContact CB-CG1 4.26Å; V48-V57 HydrophobicContact CG1-CG1 4.22Å; V48-V57 HydrophobicContact CG2-CG1 4.07Å; T50-V57 HydrophobicContact CG2-CG2 3.76Å; L52-V57 HydrophobicContact CB-CG2 4.43Å; P53-V57 PolarHBondContact O-N 3.07Å; A54-V57 PolarHBondContact O-N 3.06Å; D55-V57 VanDerWaalsContact C-N 3.33Å; D55-V57 PolarHBondContact O-N 3.49Å; V57-K60 PolarHBondContact O-N 2.8Å; V57-L61 HydrophobicContact CG1-CD1 4.21Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 2.99Å
58L95.3Very high94.2Very high39 Ų3962.2 Ų62.220%0.20431%0.309CS..Hα-helixtrans-60.2-51.4177.2-179.859.7000110.7F10 A54 D55 K60 L61 E62 I68F10-L58 HydrophobicContact CD1-CD1 4.07Å; F10-L58 HydrophobicContact CE1-CB 3.91Å; F10-L58 HydrophobicContact CE1-CD1 4.05Å; A54-L58 WeakPolarHBondContact O-CB 3.09Å; A54-L58 PolarHBondContact O-N 3.21Å; D55-L58 PolarHBondContact O-N 3.26Å; L58-K60 PolarHBondContact O-N 3.27Å; L58-L61 PolarHBondContact O-N 3.04Å; L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 3.14Å; L58-I68 HydrophobicContact CD1-CB 4.29Å; L58-I68 HydrophobicContact CD1-CG2 3.68Å
59H95Very high94.1Very high126 Ų12665.8 Ų65.858%0.58333%0.33SS*.Hα-helixtrans-55.6-39.1178.3-171.269.4000111.5D55 E62D55-H59 VanDerWaalsContact O-CB 3.29Å; D55-H59 WeakPolarHBondContact O-CB 3.19Å; D55-H59 PolarHBondContact O-N 2.82Å; H59-E62 IonicContact ND1-OE2 2.69Å; H59-E62 PolarHBondContact O-N 3.43Å
60K95.4Very high94Very high34 Ų3466.2 Ų66.215%0.14833%0.334CS..Hα-helixtrans-69.7-38.4177.9-164.847.6160.4174.60113.2V26 T29 L30 D56 V57 L58 E62 E63V26-K60 HydrophobicContact CB-CD 4.17Å; V26-K60 HydrophobicContact CB-CG 4.05Å; V26-K60 HydrophobicContact CG2-CG 4.37Å; V26-K60 WeakPolarHBondContact CG2-O 3.39Å; V26-K60 WeakPolarHBondContact O-CE 3.45Å; V26-K60 VanDerWaalsContact O-CG 3.32Å; V26-K60 WeakPolarHBondContact O-CG 3.44Å; T29-K60 WeakPolarHBondContact OG1-CE 3.49Å; T29-K60 PolarHBondContact OG1-NZ 2.99Å; L30-K60 HydrophobicContact CD1-CB 4.1Å; L30-K60 HydrophobicContact CD1-CG 4.04Å; L30-K60 HydrophobicContact CD2-CG 4.37Å; L30-K60 HydrophobicContact CG-CG 4.12Å; D56-K60 WeakPolarHBondContact O-CB 3.41Å; D56-K60 PolarHBondContact O-N 3.41Å; D56-K60 VanDerWaalsContact O-N 3.1Å; V57-K60 PolarHBondContact O-N 2.8Å; L58-K60 PolarHBondContact O-N 3.27Å; K60-E62 VanDerWaalsContact C-N 3.33Å; K60-E63 HydrophobicContact CD-CG 4.34Å; K60-E63 WeakPolarHBondContact CD-OE1 3.24Å; K60-E63 WeakPolarHBondContact CE-OE2 3.42Å; K60-E63 IonicContact NZ-OE1 3.9Å; K60-E63 PolarHBondContact NZ-OE1 3.04Å; K60-E63 IonicContact NZ-OE2 2.71Å; K60-E63 PolarHBondContact NZ-OE2 2.85Å; K60-E63 WeakPolarHBondContact O-CB 3.44Å; K60-E63 PolarHBondContact O-N 3.4Å
61L95.6Very high93.9Very high0 Ų070.2 Ų70.20%036%0.358CS..Hα-helixtrans-67.3-33.9174.7-71.7169.8000111.7F10 A23 V26 L27 V46 V57 L58 E63 T64 I68F10-L61 HydrophobicContact CB-CD1 4.1Å; F10-L61 HydrophobicContact CD1-CD1 4.13Å; F10-L61 HydrophobicContact CD2-CD1 3.63Å; F10-L61 HydrophobicContact CE2-CD1 4.06Å; F10-L61 HydrophobicContact CG-CD1 3.67Å; F10-L61 HydrophobicContact CZ-CD1 4.48Å; A23-L61 HydrophobicContact CB-CD2 3.88Å; V26-L61 HydrophobicContact CG2-CD2 4.21Å; L27-L61 HydrophobicContact CD1-CD2 3.89Å; L27-L61 HydrophobicContact CD2-CD2 4.07Å; L27-L61 HydrophobicContact CD2-CG 3.99Å; L27-L61 HydrophobicContact CG-CD2 3.83Å; L27-L61 HydrophobicContact CG-CG 4.32Å; V46-L61 HydrophobicContact CG1-CD2 4.47Å; V57-L61 HydrophobicContact CG1-CD1 4.21Å; V57-L61 WeakPolarHBondContact O-CG 3.46Å; V57-L61 PolarHBondContact O-N 2.99Å; L58-L61 PolarHBondContact O-N 3.04Å; L61-E63 PolarHBondContact O-N 2.92Å; L61-E63 VanDerWaalsContact O-N 3.17Å; L61-T64 WeakPolarHBondContact O-CB 3.4Å; L61-T64 WeakPolarHBondContact O-CG2 3.33Å; L61-T64 PolarHBondContact O-N 2.92Å; L61-T64 PolarHBondContact O-OG1 2.81Å; L61-I68 HydrophobicContact CB-CD1 3.59Å; L61-I68 HydrophobicContact CB-CG1 4.46Å; L61-I68 HydrophobicContact CB-CG2 4.35Å; L61-I68 HydrophobicContact CD1-CG2 4.37Å; L61-I68 WeakPolarHBondContact O-CD1 3.24Å
62E94.5Very high93.6Very high100 Ų10071.5 Ų71.547%0.46737%0.366SS..Hα-helixtrans-59-25.6177-72.6176.3152.600113.2L58 H59 K60 T64 Q65L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 3.14Å; H59-E62 IonicContact ND1-OE2 2.69Å; H59-E62 PolarHBondContact O-N 3.43Å; K60-E62 VanDerWaalsContact C-N 3.33Å; E62-T64 PolarHBondContact O-N 2.78Å; E62-T64 VanDerWaalsContact O-N 3.09Å; E62-Q65 PolarHBondContact O-N 2.88Å
63E94.6Very high92.8Very high104 Ų10474.9 Ų74.949%0.48639%0.393SS..THydrogen-bonded Turntrans-59.5-20.7173.1-66.3-174.6-176.800113.4V26 K60 L61 Q65V26-E63 HydrophobicContact CG1-CB 4.26Å; K60-E63 HydrophobicContact CD-CG 4.34Å; K60-E63 WeakPolarHBondContact CD-OE1 3.24Å; K60-E63 WeakPolarHBondContact CE-OE2 3.42Å; K60-E63 IonicContact NZ-OE1 3.9Å; K60-E63 PolarHBondContact NZ-OE1 3.04Å; K60-E63 IonicContact NZ-OE2 2.71Å; K60-E63 PolarHBondContact NZ-OE2 2.85Å; K60-E63 WeakPolarHBondContact O-CB 3.44Å; K60-E63 PolarHBondContact O-N 3.4Å; L61-E63 PolarHBondContact O-N 2.92Å; L61-E63 VanDerWaalsContact O-N 3.17Å; E63-Q65 PolarHBondContact O-N 2.82Å
64T92.4Very high92.7Very high21 Ų2175.5 Ų75.513%0.12939%0.392CS..THydrogen-bonded Turntrans-73.1-6.7174.767.20000113.3M12 A22 V26 L61 E62 K66M12-T64 HydrophobicContact CE-CG2 3.93Å; M12-T64 WeakPolarHBondContact CE-OG1 3.32Å; A22-T64 HydrophobicContact CB-CG2 4.23Å; V26-T64 HydrophobicContact CG1-CG2 4.06Å; V26-T64 HydrophobicContact CG2-CG2 3.79Å; L61-T64 WeakPolarHBondContact O-CB 3.4Å; L61-T64 WeakPolarHBondContact O-CG2 3.33Å; L61-T64 PolarHBondContact O-N 2.92Å; L61-T64 PolarHBondContact O-OG1 2.81Å; E62-T64 PolarHBondContact O-N 2.78Å; E62-T64 VanDerWaalsContact O-N 3.09Å; T64-K66 PolarHBondContact O-N 2.85Å
65Q90.7Very high92.6Very high186 Ų18678.6 Ų78.687%0.86941%0.406SS*.  trans56.929.3-177.4-54.2178.6-45.700112.7E62 E63E62-Q65 PolarHBondContact O-N 2.88Å; E63-Q65 PolarHBondContact O-N 2.82Å
66K89.6Confident92.6Very high83 Ų8376.3 Ų76.336%0.36139%0.393SS..SBendtrans-103.8155174.3-59.4-55.7-175.8174.40110.5M12 T64 I68M12-K66 HydrophobicContact CE-CB 3.7Å; M12-K66 HydrophobicContact CE-CG 3.42Å; M12-K66 VanDerWaalsContact CE-CG 3.42Å; M12-K66 HydrophobicContact CG-CB 4.04Å; T64-K66 PolarHBondContact O-N 2.85Å; K66-I68 HydrophobicContact CB-CD1 4.39Å; K66-I68 HydrophobicContact CB-CG1 4.4Å; K66-I68 WeakPolarHBondContact O-CD1 3.14Å; K66-I68 PolarHBondContact O-N 3.13Å
67K92.1Very high92.5Very high157 Ų15776.1 Ų76.168%0.68339%0.391SS*.  trans-69.9119.9170-171.7176.6-178.8-178.50108.7M12 E13M12-K67 WeakPolarHBondContact CA-O 3.35Å; E13-K67 PolarHBondContact N-O 2.73Å; E13-K67 VanDerWaalsContact N-O 3.08Å
68I94.1Very high92.3Very high21 Ų2180.8 Ų80.811%0.10842%0.415CS..EExtended strand (participates in β ladder)trans-132137.6-177.1-62.5145000108.9F10 N11 M12 L58 L61 K66F10-I68 HydrophobicContact CB-CG2 3.95Å; F10-I68 HydrophobicContact CD1-CG2 4Å; F10-I68 HydrophobicContact CG-CG2 4.31Å; N11-I68 CarbonylContact O-C 3.59Å; N11-I68 VanDerWaalsContact O-CA 3.27Å; N11-I68 WeakPolarHBondContact O-CA 3.35Å; M12-I68 HydrophobicContact CB-CG1 3.82Å; M12-I68 HydrophobicContact CG-CD1 4.31Å; M12-I68 HydrophobicContact CG-CG1 3.58Å; M12-I68 HydrophobicContact SD-CD1 4.25Å; M12-I68 HydrophobicContact SD-CG1 4.08Å; L58-I68 HydrophobicContact CD1-CB 4.29Å; L58-I68 HydrophobicContact CD1-CG2 3.68Å; L61-I68 HydrophobicContact CB-CD1 3.59Å; L61-I68 HydrophobicContact CB-CG1 4.46Å; L61-I68 HydrophobicContact CB-CG2 4.35Å; L61-I68 HydrophobicContact CD1-CG2 4.37Å; L61-I68 WeakPolarHBondContact O-CD1 3.24Å; K66-I68 HydrophobicContact CB-CD1 4.39Å; K66-I68 HydrophobicContact CB-CG1 4.4Å; K66-I68 WeakPolarHBondContact O-CD1 3.14Å; K66-I68 PolarHBondContact O-N 3.13Å
69V93.9Very high92.1Very high74 Ų7483.6 Ų83.645%0.44843%0.429SS..EExtended strand (participates in β ladder)trans-135.7141.6173.8-62.90000110.2F10 N11F10-V69 CarbonylContact C-O 3.51Å; F10-V69 VanDerWaalsContact CA-O 3.27Å; F10-V69 WeakPolarHBondContact CA-O 3.41Å; N11-V69 HydrophobicContact CB-CG2 3.79Å; N11-V69 PolarHBondContact N-O 3.39Å; N11-V69 PolarHBondContact O-N 3.31Å
70L94.7Very high91.9Very high74 Ų7480.6 Ų80.639%0.38742%0.418SS..EExtended strand (participates in β ladder)trans-72.5127.4170.9-178.168.1000109.3Y8 F10 A54 T72Y8-L70 HydrophobicContact CD1-CD1 4.34Å; F10-L70 HydrophobicContact CD1-CB 4.23Å; F10-L70 HydrophobicContact CD1-CD1 4Å; F10-L70 HydrophobicContact CE1-CB 4.14Å; F10-L70 HydrophobicContact CE1-CD1 3.58Å; F10-L70 HydrophobicContact CE1-CG 4.44Å; F10-L70 HydrophobicContact CE2-CD1 4.42Å; F10-L70 HydrophobicContact CZ-CD1 3.82Å; A54-L70 HydrophobicContact CB-CD2 4.06Å; L70-T72 WeakPolarHBondContact CD1-O 3.39Å
71V93.2Very high91.6Very high83 Ų8384.2 Ų84.250%0.50344%0.439SS..EExtended strand (participates in β ladder)trans-101.8-42.6179.1-177.10000110.9T9 N11T9-V71 WeakPolarHBondContact O-CB 3.43Å; T9-V71 PolarHBondContact O-N 3.3Å; N11-V71 HydrophobicContact CB-CG2 3.58Å
72T87.8Confident91.2Very high82 Ų8291.2 Ų91.250%0.50348%0.476SS..EExtended strand (participates in β ladder)trans-151.9148.5-175.3-50.80000111Y8 T9 L70Y8-T72 WeakPolarHBondContact CA-O 3.4Å; T9-T72 PolarHBondContact N-O 2.83Å; T9-T72 PolarHBondContact O-N 3.41Å; L70-T72 WeakPolarHBondContact CD1-O 3.39Å
73S77.4Confident90.9Very high109 Ų10990.4 Ų90.476%0.76248%0.476SS*.  trans-139.40-178.860.50000112.4

Retrieved 73 of 73 residues in 25.2 ms (Link to these results)

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