A0A087Y8R5_POEFO Loading...

Maturin

AlphaFold DB , UniProt , Accession A0A087Y8R5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 129 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
1M66.9Low89.2Confident164 Ų16470.4 Ų70.481%0.80834%0.339SS*.  0128.40-160.2164.4-16200106.4L6M1-L6 HydrophobicContact CE-CD2 3.96Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact CG-CG 4.3Å; M1-L6 HydrophobicContact SD-CD2 3.47Å; M1-L6 WeakPolarHBondContact SD-CD2 3.03Å; M1-L6 HydrophobicContact SD-CG 4.25Å
2E84.1Confident89.7Confident126 Ų12678.9 Ų78.959%0.58937%0.374SS*.  trans-74.3143.7174.3-63.5-174.693.900109.4K4 H5E2-K4 PolarHBondContact O-N 3.07Å; E2-H5 PolarHBondContact O-N 3.33Å; E2-H5 VanDerWaalsContact O-N 3.15Å; E2-H5 IonicContact OE2-CE1 3.37Å; E2-H5 PolarHBondContact OE2-CE1 3.4Å; E2-H5 IonicContact OE2-ND1 3.8Å
3F87.6Confident90Very high11 Ų1173.9 Ų73.95%0.04835%0.349CS..Hα-helixtrans-61.4-35.4-179.1-174.9-104.6000111.7H5 L6 V7 A24 E25 E26 R30 L32 C46F3-H5 VanDerWaalsContact C-N 3.25Å; F3-H5 PolarHBondContact O-N 3.08Å; F3-L6 HydrophobicContact CD2-CD1 4.28Å; F3-L6 WeakPolarHBondContact O-CA 3.15Å; F3-L6 VanDerWaalsContact O-CB 3.24Å; F3-L6 WeakPolarHBondContact O-CB 3.33Å; F3-L6 PolarHBondContact O-N 3.37Å; F3-V7 HydrophobicContact CD1-CG2 3.8Å; F3-V7 HydrophobicContact CE1-CG2 3.52Å; F3-V7 HydrophobicContact CZ-CG2 4.09Å; F3-V7 PolarHBondContact O-N 3.44Å; F3-A24 HydrophobicContact CE1-CB 4.29Å; F3-A24 HydrophobicContact CZ-CB 4.41Å; F3-E25 WeakPolarHBondContact CE1-O 3.38Å; F3-E25 WeakPolarHBondContact CE2-O 3.49Å; F3-E25 WeakPolarHBondContact CZ-O 3.24Å; F3-E26 HydrophobicContact CB-CB 4.34Å; F3-E26 HydrophobicContact CB-CG 3.69Å; F3-E26 WeakPolarHBondContact CB-OE2 3.48Å; F3-E26 HydrophobicContact CD1-CB 3.53Å; F3-E26 HydrophobicContact CD1-CG 3.88Å; F3-E26 HydrophobicContact CE1-CB 3.92Å; F3-E26 HydrophobicContact CG-CB 3.96Å; F3-E26 HydrophobicContact CG-CG 3.82Å; F3-R30 HydrophobicContact CD2-CB 3.81Å; F3-R30 HydrophobicContact CD2-CG 3.94Å; F3-R30 HydrophobicContact CE2-CB 3.77Å; F3-R30 HydrophobicContact CE2-CG 4.31Å; F3-L32 HydrophobicContact CE1-CD2 4.27Å; F3-L32 HydrophobicContact CE2-CD2 4.05Å; F3-L32 HydrophobicContact CE2-CG 4.27Å; F3-L32 HydrophobicContact CZ-CD2 3.54Å; F3-L32 HydrophobicContact CZ-CG 4.19Å; F3-C46 HydrophobicContact CE2-CB 4.43Å
4K89.8Confident90.2Very high131 Ų13169.6 Ų69.657%0.5733%0.331SS*.Hα-helixtrans-53-42.4175-158.2-170.681.4-174.80112.8E2 L6 V7 E8E2-K4 PolarHBondContact O-N 3.07Å; K4-L6 VanDerWaalsContact C-N 3.26Å; K4-L6 PolarHBondContact O-N 3.4Å; K4-V7 WeakPolarHBondContact O-CB 3.37Å; K4-V7 PolarHBondContact O-N 3.28Å; K4-E8 WeakPolarHBondContact CE-OE2 3.47Å; K4-E8 WeakPolarHBondContact O-CG 3.29Å; K4-E8 PolarHBondContact O-N 3.22Å
5H90.9Very high90.4Very high89 Ų8972.7 Ų72.741%0.41236%0.363SS..Hα-helixtrans-66.9-28.1176.6-66.3118.1000112.9E2 F3 E8 A9E2-H5 PolarHBondContact O-N 3.33Å; E2-H5 VanDerWaalsContact O-N 3.15Å; E2-H5 IonicContact OE2-CE1 3.37Å; E2-H5 PolarHBondContact OE2-CE1 3.4Å; E2-H5 IonicContact OE2-ND1 3.8Å; F3-H5 VanDerWaalsContact C-N 3.25Å; F3-H5 PolarHBondContact O-N 3.08Å; H5-E8 IonicContact CD2-OE2 3.85Å; H5-A9 VanDerWaalsContact O-CB 3.29Å; H5-A9 WeakPolarHBondContact O-CB 3.07Å; H5-A9 PolarHBondContact O-N 3.15Å; H5-A9 VanDerWaalsContact O-N 3.08Å
6L91.4Very high90.3Very high3 Ų372.3 Ų72.32%0.01638%0.383CS..Hα-helixtrans-71.5-42.8174.3-63.5172.2000110.7M1 F3 K4 A9 A10 L32 C46 F53 L81M1-L6 HydrophobicContact CE-CD2 3.96Å; M1-L6 HydrophobicContact CG-CD2 4.16Å; M1-L6 HydrophobicContact CG-CG 4.3Å; M1-L6 HydrophobicContact SD-CD2 3.47Å; M1-L6 WeakPolarHBondContact SD-CD2 3.03Å; M1-L6 HydrophobicContact SD-CG 4.25Å; F3-L6 HydrophobicContact CD2-CD1 4.28Å; F3-L6 WeakPolarHBondContact O-CA 3.15Å; F3-L6 VanDerWaalsContact O-CB 3.24Å; F3-L6 WeakPolarHBondContact O-CB 3.33Å; F3-L6 PolarHBondContact O-N 3.37Å; K4-L6 VanDerWaalsContact C-N 3.26Å; K4-L6 PolarHBondContact O-N 3.4Å; L6-A9 PolarHBondContact O-N 3.35Å; L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.33Å; L6-L32 HydrophobicContact CB-CD1 4.43Å; L6-C46 HydrophobicContact CD1-CB 3.65Å; L6-F53 HydrophobicContact CD2-CZ 4.33Å; L6-L81 HydrophobicContact CB-CD2 4Å; L6-L81 HydrophobicContact CD2-CB 3.96Å; L6-L81 HydrophobicContact CD2-CD2 4.03Å; L6-L81 VanDerWaalsContact O-CD2 3.23Å; L6-L81 WeakPolarHBondContact O-CD2 3.48Å
7V93.6Very high90.2Very high27 Ų2770.1 Ų70.116%0.16437%0.371CS..Hα-helixtrans-59.1-51.5173.7177.60000110.3F3 K4 A9 A10 E11 L21 A24 L32F3-V7 HydrophobicContact CD1-CG2 3.8Å; F3-V7 HydrophobicContact CE1-CG2 3.52Å; F3-V7 HydrophobicContact CZ-CG2 4.09Å; F3-V7 PolarHBondContact O-N 3.44Å; K4-V7 WeakPolarHBondContact O-CB 3.37Å; K4-V7 PolarHBondContact O-N 3.28Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.24Å; V7-A10 WeakPolarHBondContact O-CB 3.31Å; V7-A10 PolarHBondContact O-N 2.94Å; V7-E11 HydrophobicContact CG1-CG 4.41Å; V7-E11 WeakPolarHBondContact O-CG 3.39Å; V7-E11 PolarHBondContact O-N 3.39Å; V7-L21 HydrophobicContact CG1-CD2 3.96Å; V7-A24 HydrophobicContact CG2-CB 3.98Å; V7-L32 HydrophobicContact CG2-CD2 3.77Å
8E94.3Very high90.3Very high95 Ų9569.8 Ų69.844%0.44437%0.374SS..Hα-helixtrans-59.7-38.2179.1-70176.189.800112.1K4 H5 K12K4-E8 WeakPolarHBondContact CE-OE2 3.47Å; K4-E8 WeakPolarHBondContact O-CG 3.29Å; K4-E8 PolarHBondContact O-N 3.22Å; H5-E8 IonicContact CD2-OE2 3.85Å; E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 PolarHBondContact O-N 3.04Å; E8-K12 VanDerWaalsContact O-N 3.07Å
9A93.4Very high90.5Very high24 Ų2466.1 Ų66.120%0.19835%0.354CS..Hα-helixtrans-67.6-40.3175.300000112.3H5 L6 V7 W13 L81H5-A9 VanDerWaalsContact O-CB 3.29Å; H5-A9 WeakPolarHBondContact O-CB 3.07Å; H5-A9 PolarHBondContact O-N 3.15Å; H5-A9 VanDerWaalsContact O-N 3.08Å; L6-A9 PolarHBondContact O-N 3.35Å; V7-A9 VanDerWaalsContact C-N 3.27Å; V7-A9 PolarHBondContact O-N 3.24Å; A9-W13 WeakPolarHBondContact O-CB 2.95Å; A9-W13 PolarHBondContact O-N 3.11Å; A9-L81 HydrophobicContact CB-CD2 4.46Å
10A94.6Very high90.7Very high0 Ų068.2 Ų68.20%037%0.365CS..Hα-helixtrans-63.3-48.4175.500000111.5L6 V7 K12 W13 C14 L21 L32 F34 L81L6-A10 WeakPolarHBondContact O-CB 3.42Å; L6-A10 PolarHBondContact O-N 3.33Å; V7-A10 WeakPolarHBondContact O-CB 3.31Å; V7-A10 PolarHBondContact O-N 2.94Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.05Å; A10-W13 WeakPolarHBondContact O-CB 3.37Å; A10-W13 PolarHBondContact O-N 2.87Å; A10-W13 VanDerWaalsContact O-N 3.11Å; A10-C14 PolarHBondContact O-N 2.86Å; A10-C14 PolarHBondContact O-SG 2.98Å; A10-L21 HydrophobicContact CB-CD1 4.39Å; A10-L21 HydrophobicContact CB-CD2 4.29Å; A10-L32 HydrophobicContact CB-CD1 4.17Å; A10-F34 HydrophobicContact CB-CE1 3.87Å; A10-F34 HydrophobicContact CB-CZ 3.71Å; A10-L81 HydrophobicContact CB-CD2 4.24Å
11E94.7Very high90.9Very high104 Ų10466.8 Ų66.849%0.48636%0.357SS..Hα-helixtrans-61-42.3178.1-69.7-175103.400112V7 W13 C14 S15 L21V7-E11 HydrophobicContact CG1-CG 4.41Å; V7-E11 WeakPolarHBondContact O-CG 3.39Å; V7-E11 PolarHBondContact O-N 3.39Å; E11-W13 VanDerWaalsContact C-N 3.28Å; E11-W13 PolarHBondContact O-N 3.08Å; E11-C14 WeakPolarHBondContact O-CB 3.48Å; E11-C14 PolarHBondContact O-N 3.43Å; E11-S15 PolarHBondContact O-N 2.87Å; E11-S15 VanDerWaalsContact O-N 3.11Å; E11-L21 HydrophobicContact CG-CD2 3.73Å
12K94.6Very high92.3Very high173 Ų17363.9 Ų63.975%0.75234%0.344SS*.Hα-helixtrans-62.9-38.7175.6-175.6176.8180-177.50111.7E8 A10 S15E8-K12 WeakPolarHBondContact O-CB 3.39Å; E8-K12 PolarHBondContact O-N 3.04Å; E8-K12 VanDerWaalsContact O-N 3.07Å; A10-K12 VanDerWaalsContact C-N 3.33Å; A10-K12 PolarHBondContact O-N 3.05Å; K12-S15 PolarHBondContact O-N 3.31Å
13W94.1Very high92.8Very high14 Ų1462.5 Ų62.55%0.05334%0.336CS..Hα-helixtrans-66.1-42.7175.7177.985.2000111.4A9 A10 E11 S15 G16 N17 F19 F34 F42 L82 L85 E86 F89A9-W13 WeakPolarHBondContact O-CB 2.95Å; A9-W13 PolarHBondContact O-N 3.11Å; A10-W13 WeakPolarHBondContact O-CB 3.37Å; A10-W13 PolarHBondContact O-N 2.87Å; A10-W13 VanDerWaalsContact O-N 3.11Å; E11-W13 VanDerWaalsContact C-N 3.28Å; E11-W13 PolarHBondContact O-N 3.08Å; W13-S15 VanDerWaalsContact C-N 3.28Å; W13-S15 PolarHBondContact O-N 3.23Å; W13-G16 PolarHBondContact O-N 3.11Å; W13-N17 VanDerWaalsContact CD1-ND2 3.35Å; W13-N17 HydrophobicContact CD2-CB 4.39Å; W13-N17 HydrophobicContact CE3-CB 4.48Å; W13-N17 HydrophobicContact CH2-CB 4.23Å; W13-N17 HydrophobicContact CZ2-CB 4.11Å; W13-N17 HydrophobicContact CZ3-CB 4.41Å; W13-N17 PolarHBondContact NE1-ND2 2.88Å; W13-N17 PolarHBondContact O-N 3.08Å; W13-N17 PolarHBondContact O-ND2 2.99Å; W13-F19 HydrophobicContact CH2-CB 3.95Å; W13-F19 AromaticContact CH2-CD2 3.61Å; W13-F19 HydrophobicContact CH2-CD2 3.61Å; W13-F19 HydrophobicContact CH2-CE2 4.42Å; W13-F19 AromaticContact CH2-CG 3.98Å; W13-F19 HydrophobicContact CH2-CG 3.98Å; W13-F19 HydrophobicContact CZ3-CB 3.6Å; W13-F19 HydrophobicContact CZ3-CD2 4.18Å; W13-F19 HydrophobicContact CZ3-CG 4.11Å; W13-F34 HydrophobicContact CE3-CE1 4.34Å; W13-F34 HydrophobicContact CZ3-CD1 4.16Å; W13-F34 HydrophobicContact CZ3-CE1 4.35Å; W13-F42 HydrophobicContact CH2-CZ 4.46Å; W13-L82 HydrophobicContact CB-CD2 3.93Å; W13-L82 HydrophobicContact CG-CD2 4.24Å; W13-L85 HydrophobicContact CB-CD1 4.26Å; W13-L85 HydrophobicContact CD2-CB 3.98Å; W13-L85 HydrophobicContact CD2-CD1 3.84Å; W13-L85 HydrophobicContact CD2-CG 4.41Å; W13-L85 HydrophobicContact CE3-CB 4.44Å; W13-L85 HydrophobicContact CE3-CD1 3.96Å; W13-L85 HydrophobicContact CE3-CD2 4.42Å; W13-L85 HydrophobicContact CG-CB 4.4Å; W13-L85 HydrophobicContact CG-CD1 3.97Å; W13-L85 HydrophobicContact CH2-CB 4.34Å; W13-L85 HydrophobicContact CH2-CD2 4.48Å; W13-L85 HydrophobicContact CZ2-CB 3.88Å; W13-L85 HydrophobicContact CZ3-CD2 4.26Å; W13-E86 PolarHBondContact NE1-OE1 3.27Å; W13-F89 HydrophobicContact CH2-CB 4.41Å; W13-F89 HydrophobicContact CZ2-CB 3.8Å; W13-F89 HydrophobicContact CZ2-CG 4.4Å
14C93.4Very high93.1Very high14 Ų1464 Ų6410%0.09535%0.351CS..Hα-helixtrans-56.5-37.8174.2-69.50000112.6A10 E11 G16 N17 F19 L21A10-C14 PolarHBondContact O-N 2.86Å; A10-C14 PolarHBondContact O-SG 2.98Å; E11-C14 WeakPolarHBondContact O-CB 3.48Å; E11-C14 PolarHBondContact O-N 3.43Å; C14-G16 PolarHBondContact O-N 3.06Å; C14-N17 PolarHBondContact O-N 2.82Å; C14-N17 VanDerWaalsContact O-N 3.08Å; C14-F19 VanDerWaalsContact CA-O 3.31Å; C14-F19 WeakPolarHBondContact CA-O 3.46Å; C14-F19 WeakPolarHBondContact CB-O 3.34Å; C14-F19 PolarHBondContact SG-O 3.37Å; C14-L21 PolarHBondContact SG-N 3.18Å; C14-L21 VanDerWaalsContact SG-N 3.44Å
15S92.1Very high93.1Very high116 Ų11661.5 Ų61.581%0.81134%0.341SS*.THydrogen-bonded Turntrans-60.5-19176.7-73.50000114.9E11 K12 W13E11-S15 PolarHBondContact O-N 2.87Å; E11-S15 VanDerWaalsContact O-N 3.11Å; K12-S15 PolarHBondContact O-N 3.31Å; W13-S15 VanDerWaalsContact C-N 3.28Å; W13-S15 PolarHBondContact O-N 3.23Å
16G88.6Confident93Very high66 Ų6662 Ų6268%0.6834%0.344SS*.THydrogen-bonded Turntrans-106.7-1.3177.200000114.6W13 C14W13-G16 PolarHBondContact O-N 3.11Å; C14-G16 PolarHBondContact O-N 3.06Å
17N90.1Very high92.4Very high35 Ų3568.6 Ų68.619%0.18738%0.379CS..SBendtrans-133.8159.4-169.2-72.1-71000110.8W13 C14 F19W13-N17 VanDerWaalsContact CD1-ND2 3.35Å; W13-N17 HydrophobicContact CD2-CB 4.39Å; W13-N17 HydrophobicContact CE3-CB 4.48Å; W13-N17 HydrophobicContact CH2-CB 4.23Å; W13-N17 HydrophobicContact CZ2-CB 4.11Å; W13-N17 HydrophobicContact CZ3-CB 4.41Å; W13-N17 PolarHBondContact NE1-ND2 2.88Å; W13-N17 PolarHBondContact O-N 3.08Å; W13-N17 PolarHBondContact O-ND2 2.99Å; C14-N17 PolarHBondContact O-N 2.82Å; C14-N17 VanDerWaalsContact O-N 3.08Å; N17-F19 PolarHBondContact O-N 2.71Å; N17-F19 VanDerWaalsContact O-N 3.09Å
18P90.8Very high91.6Very high64 Ų6474.3 Ų74.342%0.41641%0.409SS..SBendtrans-75.58-18031.4-35.6000114A36 F89 L96P18-A36 WeakPolarHBondContact O-CB 3.43Å; P18-F89 HydrophobicContact CG-CE2 3.98Å; P18-L96 HydrophobicContact CG-CD1 3.76Å
19F93.9Very high91Very high0 Ų074.1 Ų74.10%041%0.408CS..  trans-102.1137.6-179-74-81.8000110.3W13 C14 N17 F34 Y35 A36 V40 F42 F89 F92 L96W13-F19 HydrophobicContact CH2-CB 3.95Å; W13-F19 AromaticContact CH2-CD2 3.61Å; W13-F19 HydrophobicContact CH2-CD2 3.61Å; W13-F19 HydrophobicContact CH2-CE2 4.42Å; W13-F19 AromaticContact CH2-CG 3.98Å; W13-F19 HydrophobicContact CH2-CG 3.98Å; W13-F19 HydrophobicContact CZ3-CB 3.6Å; W13-F19 HydrophobicContact CZ3-CD2 4.18Å; W13-F19 HydrophobicContact CZ3-CG 4.11Å; C14-F19 VanDerWaalsContact CA-O 3.31Å; C14-F19 WeakPolarHBondContact CA-O 3.46Å; C14-F19 WeakPolarHBondContact CB-O 3.34Å; C14-F19 PolarHBondContact SG-O 3.37Å; N17-F19 PolarHBondContact O-N 2.71Å; N17-F19 VanDerWaalsContact O-N 3.09Å; F19-F34 HydrophobicContact CD1-CB 4.32Å; F19-Y35 CarbonylContact C-O 3.49Å; F19-Y35 WeakPolarHBondContact CA-O 3.23Å; F19-A36 HydrophobicContact CD1-CB 3.36Å; F19-A36 HydrophobicContact CD2-CB 4.41Å; F19-A36 HydrophobicContact CE1-CB 3.43Å; F19-A36 VanDerWaalsContact CE1-CB 3.43Å; F19-A36 HydrophobicContact CE2-CB 4.47Å; F19-A36 HydrophobicContact CG-CB 3.88Å; F19-A36 HydrophobicContact CZ-CB 4.02Å; F19-V40 HydrophobicContact CE1-CB 4.26Å; F19-V40 HydrophobicContact CE1-CG1 3.82Å; F19-V40 HydrophobicContact CZ-CG1 3.98Å; F19-F42 HydrophobicContact CD1-CD1 4.21Å; F19-F42 AromaticContact CD1-CE1 3.58Å; F19-F42 HydrophobicContact CD1-CE1 3.58Å; F19-F42 AromaticContact CE1-CD1 3.82Å; F19-F42 HydrophobicContact CE1-CD1 3.82Å; F19-F42 AromaticContact CE1-CE1 3.47Å; F19-F42 HydrophobicContact CE1-CE1 3.47Å; F19-F42 VanDerWaalsContact CE1-CE1 3.47Å; F19-F42 HydrophobicContact CE2-CE1 4.44Å; F19-F42 HydrophobicContact CG-CE1 4.14Å; F19-F42 HydrophobicContact CZ-CD1 4.41Å; F19-F42 AromaticContact CZ-CE1 3.93Å; F19-F42 HydrophobicContact CZ-CE1 3.93Å; F19-F89 HydrophobicContact CD2-CD2 4.22Å; F19-F89 AromaticContact CE2-CD2 3.93Å; F19-F89 HydrophobicContact CE2-CD2 3.93Å; F19-F92 HydrophobicContact CZ-CB 4.12Å; F19-F92 AromaticContact CZ-CD2 3.84Å; F19-F92 HydrophobicContact CZ-CD2 3.84Å; F19-F92 HydrophobicContact CZ-CG 4.12Å; F19-L96 HydrophobicContact CE2-CD1 4.01Å; F19-L96 HydrophobicContact CZ-CD1 4.35Å
20D95.1Very high90.9Very high107 Ų10776.5 Ų76.557%0.57241%0.412SS*.EExtended strand (participates in β ladder)trans-107.9140.4172-79.5-77.3000110.7I22 F34 Y35D20-I22 HydrophobicContact CB-CG2 4.5Å; D20-I22 PolarHBondContact O-N 3.26Å; D20-F34 CarbonylContact O-C 3.58Å; D20-F34 VanDerWaalsContact O-CA 3.25Å; D20-F34 WeakPolarHBondContact O-CA 3.47Å; D20-Y35 PolarHBondContact N-O 3.21Å; D20-Y35 PolarHBondContact O-N 2.84Å
21L95.8Very high90.8Very high39 Ų3979.2 Ų79.220%0.20442%0.422CS..EExtended strand (participates in β ladder)trans-78107.3170.3-179.472.4000108.7V7 A10 E11 C14 F23 L32 D33 F34V7-L21 HydrophobicContact CG1-CD2 3.96Å; A10-L21 HydrophobicContact CB-CD1 4.39Å; A10-L21 HydrophobicContact CB-CD2 4.29Å; E11-L21 HydrophobicContact CG-CD2 3.73Å; C14-L21 PolarHBondContact SG-N 3.18Å; C14-L21 VanDerWaalsContact SG-N 3.44Å; L21-F23 WeakPolarHBondContact CD1-O 3.47Å; L21-L32 HydrophobicContact CD1-CB 3.89Å; L21-L32 HydrophobicContact CD1-CD2 4.13Å; L21-D33 CarbonylContact C-O 3.57Å; L21-D33 WeakPolarHBondContact CA-O 3.24Å; L21-D33 WeakPolarHBondContact CD1-O 3.38Å; L21-F34 HydrophobicContact CB-CD1 4.46Å; L21-F34 HydrophobicContact CB-CE1 4.28Å; L21-F34 HydrophobicContact CD1-CD1 4.24Å; L21-F34 HydrophobicContact CD1-CE1 3.77Å; L21-F34 HydrophobicContact CD1-CE2 4.28Å; L21-F34 HydrophobicContact CD1-CZ 3.79Å
22I95.1Very high90.8Very high103 Ų10374.2 Ų74.253%0.52840%0.399SS..EExtended strand (participates in β ladder)trans-97.1-20.6-175.457.9161.1000113.3D20 D33D20-I22 HydrophobicContact CB-CG2 4.5Å; D20-I22 PolarHBondContact O-N 3.26Å; I22-D33 HydrophobicContact CD1-CB 4.15Å; I22-D33 HydrophobicContact CG1-CB 3.73Å; I22-D33 WeakPolarHBondContact CG1-O 3.42Å; I22-D33 PolarHBondContact N-O 3.3Å
23F94.1Very high90.8Very high97 Ų9767 Ų6743%0.42537%0.368SS..EExtended strand (participates in β ladder)trans-152144.6-180-168.1-108.3000111.4L21 E25 L32 D33L21-F23 WeakPolarHBondContact CD1-O 3.47Å; F23-E25 HydrophobicContact CD1-CB 4.41Å; F23-E25 HydrophobicContact CE1-CB 3.63Å; F23-E25 HydrophobicContact CE1-CG 4.44Å; F23-E25 HydrophobicContact CZ-CB 4.15Å; F23-E25 WeakPolarHBondContact CZ-OE1 3.3Å; F23-L32 CarbonylContact O-C 3.59Å; F23-L32 WeakPolarHBondContact O-CA 3.45Å; F23-D33 HydrophobicContact CB-CB 3.79Å; F23-D33 PolarHBondContact N-O 2.88Å; F23-D33 PolarHBondContact O-N 3.22Å
24A94Very high90.9Very high44 Ų4466.3 Ų66.336%0.36437%0.366SS..EExtended strand (participates in β ladder)trans-146.7117.817500000110.4F3 V7 R31 L32F3-A24 HydrophobicContact CE1-CB 4.29Å; F3-A24 HydrophobicContact CZ-CB 4.41Å; V7-A24 HydrophobicContact CG2-CB 3.98Å; A24-R31 CarbonylContact C-O 3.6Å; A24-R31 VanDerWaalsContact CA-O 3.32Å; A24-R31 WeakPolarHBondContact CA-O 3.2Å; A24-L32 HydrophobicContact CB-CD2 3.59Å
25E90.8Very high91Very high77 Ų7769.9 Ų69.936%0.3638%0.378SS..EExtended strand (participates in β ladder)trans-121129.6-178.2-174.297.984.900109.6F3 F23 E29 R30 R31F3-E25 WeakPolarHBondContact CE1-O 3.38Å; F3-E25 WeakPolarHBondContact CE2-O 3.49Å; F3-E25 WeakPolarHBondContact CZ-O 3.24Å; F23-E25 HydrophobicContact CD1-CB 4.41Å; F23-E25 HydrophobicContact CE1-CB 3.63Å; F23-E25 HydrophobicContact CE1-CG 4.44Å; F23-E25 HydrophobicContact CZ-CB 4.15Å; F23-E25 WeakPolarHBondContact CZ-OE1 3.3Å; E25-E29 CarbonylContact C-O 3.56Å; E25-R30 CarbonylContact O-C 3.59Å; E25-R30 WeakPolarHBondContact O-CA 3.42Å; E25-R31 PolarHBondContact N-O 3.15Å; E25-R31 PolarHBondContact O-N 2.94Å
26E88.9Confident91Very high100 Ų10064.4 Ų64.447%0.46734%0.34SS..  trans-102.2-30.4175.9-172.7178.249.900112.9F3 R30F3-E26 HydrophobicContact CB-CB 4.34Å; F3-E26 HydrophobicContact CB-CG 3.69Å; F3-E26 WeakPolarHBondContact CB-OE2 3.48Å; F3-E26 HydrophobicContact CD1-CB 3.53Å; F3-E26 HydrophobicContact CD1-CG 3.88Å; F3-E26 HydrophobicContact CE1-CB 3.92Å; F3-E26 HydrophobicContact CG-CB 3.96Å; F3-E26 HydrophobicContact CG-CG 3.82Å; E26-R30 HydrophobicContact CG-CG 4.49Å
27N78.5Confident91Very high142 Ų14268.8 Ų68.876%0.75934%0.343SS*.SBendtrans-85.4-39.3-151-159.875.2000113.9
28D77.7Confident90.5Very high147 Ų14772.7 Ų72.779%0.78637%0.37SS*.SBendtrans-102.1-53.6178.5-80.4-100.4000111
29E81.1Confident90.3Very high91 Ų9171.3 Ų71.343%0.42537%0.367SS..SBendtrans-135.6122.3177.1-179.3175.779.500107.2E25 R31 L45E25-E29 CarbonylContact C-O 3.56Å; E29-R31 HydrophobicContact CG-CB 4.27Å; E29-R31 PolarHBondContact O-N 2.83Å; E29-L45 HydrophobicContact CG-CD2 3.68Å; E29-L45 WeakPolarHBondContact OE1-CD2 3.25Å
30R89.9Confident90.2Very high73 Ų7371.8 Ų71.828%0.27537%0.37SS..  trans-68.579.1-179.4-72.7-177.3174.8-154.7-7.7110.3F3 E25 E26 L45 C46F3-R30 HydrophobicContact CD2-CB 3.81Å; F3-R30 HydrophobicContact CD2-CG 3.94Å; F3-R30 HydrophobicContact CE2-CB 3.77Å; F3-R30 HydrophobicContact CE2-CG 4.31Å; E25-R30 CarbonylContact O-C 3.59Å; E25-R30 WeakPolarHBondContact O-CA 3.42Å; E26-R30 HydrophobicContact CG-CG 4.49Å; R30-L45 CarbonylContact O-C 3.53Å; R30-C46 HydrophobicContact CB-CB 3.98Å; R30-C46 WeakPolarHBondContact CB-O 3.3Å; R30-C46 WeakPolarHBondContact O-CB 3.32Å; R30-C46 PolarHBondContact O-N 2.75Å
31R92.6Very high90.1Very high57 Ų5768 Ų6822%0.21535%0.352CS..EExtended strand (participates in β ladder)trans-116.3137.6-166.4176.7174.2166.9169.6-2.5111A24 E25 E29 D33 Y43 V44 L45A24-R31 CarbonylContact C-O 3.6Å; A24-R31 VanDerWaalsContact CA-O 3.32Å; A24-R31 WeakPolarHBondContact CA-O 3.2Å; E25-R31 PolarHBondContact N-O 3.15Å; E25-R31 PolarHBondContact O-N 2.94Å; E29-R31 HydrophobicContact CG-CB 4.27Å; E29-R31 PolarHBondContact O-N 2.83Å; R31-D33 WeakPolarHBondContact CG-OD2 3.48Å; R31-D33 IonicContact CZ-OD1 3.48Å; R31-D33 IonicContact CZ-OD2 3.52Å; R31-D33 IonicContact NE-OD1 3.41Å; R31-D33 PolarHBondContact NE-OD1 3.19Å; R31-D33 IonicContact NE-OD2 2.72Å; R31-D33 PolarHBondContact NE-OD2 2.84Å; R31-D33 IonicContact NH2-OD1 2.71Å; R31-D33 PolarHBondContact NH2-OD1 3.34Å; R31-D33 IonicContact NH2-OD2 3.54Å; R31-Y43 HydrophobicContact CG-CD2 4.37Å; R31-V44 WeakPolarHBondContact CA-O 3.46Å; R31-L45 HydrophobicContact CB-CD2 3.84Å; R31-L45 HydrophobicContact CG-CD2 3.87Å
32L95.1Very high90.1Very high0 Ų066.3 Ų66.30%034%0.343CS..EExtended strand (participates in β ladder)trans-123.5120.8173.4-59.9174.4000108.4F3 L6 V7 A10 L21 F23 A24 F34 Y43 V44 L81F3-L32 HydrophobicContact CE1-CD2 4.27Å; F3-L32 HydrophobicContact CE2-CD2 4.05Å; F3-L32 HydrophobicContact CE2-CG 4.27Å; F3-L32 HydrophobicContact CZ-CD2 3.54Å; F3-L32 HydrophobicContact CZ-CG 4.19Å; L6-L32 HydrophobicContact CB-CD1 4.43Å; V7-L32 HydrophobicContact CG2-CD2 3.77Å; A10-L32 HydrophobicContact CB-CD1 4.17Å; L21-L32 HydrophobicContact CD1-CB 3.89Å; L21-L32 HydrophobicContact CD1-CD2 4.13Å; F23-L32 CarbonylContact O-C 3.59Å; F23-L32 WeakPolarHBondContact O-CA 3.45Å; A24-L32 HydrophobicContact CB-CD2 3.59Å; L32-F34 HydrophobicContact CB-CE2 3.6Å; L32-F34 HydrophobicContact CB-CZ 3.95Å; L32-F34 HydrophobicContact CD1-CZ 4.44Å; L32-F34 WeakPolarHBondContact O-CE2 3.48Å; L32-Y43 CarbonylContact O-C 3.57Å; L32-Y43 WeakPolarHBondContact O-CA 3.32Å; L32-Y43 WeakPolarHBondContact O-CB 3.47Å; L32-V44 PolarHBondContact N-O 2.87Å; L32-V44 PolarHBondContact O-N 3.35Å; L32-L81 HydrophobicContact CD1-CD1 4.33Å; L32-L81 HydrophobicContact CD1-CD2 3.9Å
33D95.4Very high90.1Very high21 Ų2163.3 Ų63.311%0.11233%0.325CS..EExtended strand (participates in β ladder)trans-102.9137.2176.8-69.2-115.3000111.4L21 I22 F23 R31L21-D33 CarbonylContact C-O 3.57Å; L21-D33 WeakPolarHBondContact CA-O 3.24Å; L21-D33 WeakPolarHBondContact CD1-O 3.38Å; I22-D33 HydrophobicContact CD1-CB 4.15Å; I22-D33 HydrophobicContact CG1-CB 3.73Å; I22-D33 WeakPolarHBondContact CG1-O 3.42Å; I22-D33 PolarHBondContact N-O 3.3Å; F23-D33 HydrophobicContact CB-CB 3.79Å; F23-D33 PolarHBondContact N-O 2.88Å; F23-D33 PolarHBondContact O-N 3.22Å; R31-D33 WeakPolarHBondContact CG-OD2 3.48Å; R31-D33 IonicContact CZ-OD1 3.48Å; R31-D33 IonicContact CZ-OD2 3.52Å; R31-D33 IonicContact NE-OD1 3.41Å; R31-D33 PolarHBondContact NE-OD1 3.19Å; R31-D33 IonicContact NE-OD2 2.72Å; R31-D33 PolarHBondContact NE-OD2 2.84Å; R31-D33 IonicContact NH2-OD1 2.71Å; R31-D33 PolarHBondContact NH2-OD1 3.34Å; R31-D33 IonicContact NH2-OD2 3.54Å
34F96.1Very high90.1Very high0 Ų058.7 Ų58.70%031%0.305CS..EExtended strand (participates in β ladder)trans-122.3144.2-178.4-59.6-90.4000110.3A10 W13 F19 D20 L21 L32 S41 F42 V44 L85A10-F34 HydrophobicContact CB-CE1 3.87Å; A10-F34 HydrophobicContact CB-CZ 3.71Å; W13-F34 HydrophobicContact CE3-CE1 4.34Å; W13-F34 HydrophobicContact CZ3-CD1 4.16Å; W13-F34 HydrophobicContact CZ3-CE1 4.35Å; F19-F34 HydrophobicContact CD1-CB 4.32Å; D20-F34 CarbonylContact O-C 3.58Å; D20-F34 VanDerWaalsContact O-CA 3.25Å; D20-F34 WeakPolarHBondContact O-CA 3.47Å; L21-F34 HydrophobicContact CB-CD1 4.46Å; L21-F34 HydrophobicContact CB-CE1 4.28Å; L21-F34 HydrophobicContact CD1-CD1 4.24Å; L21-F34 HydrophobicContact CD1-CE1 3.77Å; L21-F34 HydrophobicContact CD1-CE2 4.28Å; L21-F34 HydrophobicContact CD1-CZ 3.79Å; L32-F34 HydrophobicContact CB-CE2 3.6Å; L32-F34 HydrophobicContact CB-CZ 3.95Å; L32-F34 HydrophobicContact CD1-CZ 4.44Å; L32-F34 WeakPolarHBondContact O-CE2 3.48Å; F34-S41 VanDerWaalsContact O-CA 3.25Å; F34-S41 WeakPolarHBondContact O-CA 3.48Å; F34-F42 HydrophobicContact CB-CD1 4.02Å; F34-F42 HydrophobicContact CB-CD2 4.42Å; F34-F42 HydrophobicContact CB-CE1 3.62Å; F34-F42 HydrophobicContact CB-CE2 4.05Å; F34-F42 HydrophobicContact CB-CG 4.41Å; F34-F42 HydrophobicContact CB-CZ 3.63Å; F34-F42 HydrophobicContact CD1-CZ 4.45Å; F34-F42 HydrophobicContact CD2-CD2 4.02Å; F34-F42 AromaticContact CD2-CE2 3.44Å; F34-F42 HydrophobicContact CD2-CE2 3.44Å; F34-F42 VanDerWaalsContact CD2-CE2 3.44Å; F34-F42 AromaticContact CD2-CZ 3.75Å; F34-F42 HydrophobicContact CD2-CZ 3.75Å; F34-F42 HydrophobicContact CE2-CE2 4.12Å; F34-F42 HydrophobicContact CG-CE1 4.21Å; F34-F42 AromaticContact CG-CE2 3.89Å; F34-F42 HydrophobicContact CG-CE2 3.89Å; F34-F42 AromaticContact CG-CZ 3.68Å; F34-F42 HydrophobicContact CG-CZ 3.68Å; F34-F42 PolarHBondContact N-O 3.09Å; F34-F42 PolarHBondContact O-N 3.44Å; F34-V44 HydrophobicContact CD2-CG2 4.15Å; F34-V44 HydrophobicContact CE2-CB 4.33Å; F34-V44 HydrophobicContact CE2-CG2 3.71Å; F34-L85 HydrophobicContact CD2-CD2 4.4Å; F34-L85 HydrophobicContact CE1-CD2 4.24Å; F34-L85 HydrophobicContact CE2-CD2 3.9Å; F34-L85 HydrophobicContact CZ-CD1 4.34Å; F34-L85 HydrophobicContact CZ-CD2 3.8Å
35Y94.5Very high90Very high88 Ų8858.3 Ų58.335%0.34530%0.297SS..EExtended strand (participates in β ladder)trans-137140.2176.9177.6-92.9000110.8F19 D20 E37 V40F19-Y35 CarbonylContact C-O 3.49Å; F19-Y35 WeakPolarHBondContact CA-O 3.23Å; D20-Y35 PolarHBondContact N-O 3.21Å; D20-Y35 PolarHBondContact O-N 2.84Å; Y35-E37 HydrophobicContact CE1-CG 4.04Å; Y35-V40 CarbonylContact C-O 3.51Å; Y35-V40 WeakPolarHBondContact CA-O 3.16Å
36A92.4Very high89.9Confident2 Ų255.1 Ų55.12%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-137.1143.1170.800000110.7P18 F19 G39 V40 L96P18-A36 WeakPolarHBondContact O-CB 3.43Å; F19-A36 HydrophobicContact CD1-CB 3.36Å; F19-A36 HydrophobicContact CD2-CB 4.41Å; F19-A36 HydrophobicContact CE1-CB 3.43Å; F19-A36 VanDerWaalsContact CE1-CB 3.43Å; F19-A36 HydrophobicContact CE2-CB 4.47Å; F19-A36 HydrophobicContact CG-CB 3.88Å; F19-A36 HydrophobicContact CZ-CB 4.02Å; A36-G39 CarbonylContact O-C 3.57Å; A36-G39 PolarHBondContact O-N 2.85Å; A36-V40 HydrophobicContact CB-CB 4.47Å; A36-V40 PolarHBondContact N-O 2.95Å; A36-V40 PolarHBondContact O-N 3.46Å; A36-L96 HydrophobicContact CB-CD2 4.44Å
37E88.3Confident89.8Confident158 Ų15852 Ų5274%0.73827%0.271SS*.THydrogen-bonded Turntrans-69.5143170.9-67.4-166.592.300111Y35Y35-E37 HydrophobicContact CE1-CG 4.04Å
38P81.3Confident89.6Confident117 Ų11748 Ų4876%0.7626%0.264SS*.THydrogen-bonded Turncis-91.21712.136-36.5000116
39G86Confident89.1Confident34 Ų3444.3 Ų44.335%0.35126%0.26SS..THydrogen-bonded Turntrans14722.6-179.900000115.2A36A36-G39 CarbonylContact O-C 3.57Å; A36-G39 PolarHBondContact O-N 2.85Å
40V90.7Very high88Confident11 Ų1146.7 Ų46.77%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-84.7115.8176.4-1780000107.8F19 Y35 A36 F92 L96F19-V40 HydrophobicContact CE1-CB 4.26Å; F19-V40 HydrophobicContact CE1-CG1 3.82Å; F19-V40 HydrophobicContact CZ-CG1 3.98Å; Y35-V40 CarbonylContact C-O 3.51Å; Y35-V40 WeakPolarHBondContact CA-O 3.16Å; A36-V40 HydrophobicContact CB-CB 4.47Å; A36-V40 PolarHBondContact N-O 2.95Å; A36-V40 PolarHBondContact O-N 3.46Å; V40-F92 HydrophobicContact CG1-CD1 3.55Å; V40-F92 HydrophobicContact CG1-CD2 4.23Å; V40-F92 HydrophobicContact CG1-CE1 3.48Å; V40-F92 VanDerWaalsContact CG1-CE1 3.48Å; V40-F92 HydrophobicContact CG1-CE2 4.11Å; V40-F92 HydrophobicContact CG1-CG 3.98Å; V40-F92 HydrophobicContact CG1-CZ 3.79Å; V40-L96 HydrophobicContact CG2-CD2 4.37Å
41S93.6Very high87.3Confident28 Ų2848.7 Ų48.720%0.19630%0.297CS..EExtended strand (participates in β ladder)trans-122.5147.5173.263.10000110.8F34 S57F34-S41 VanDerWaalsContact O-CA 3.25Å; F34-S41 WeakPolarHBondContact O-CA 3.48Å; S41-S57 WeakPolarHBondContact O-CB 3.18Å; S41-S57 PolarHBondContact O-OG 2.86Å
42F95.2Very high87.1Confident3 Ų350.6 Ų50.61%0.01332%0.315CS..EExtended strand (participates in β ladder)trans-154.7160.317070-88000109.6W13 F19 F34 V44 W56 L66 L85 V88 F92W13-F42 HydrophobicContact CH2-CZ 4.46Å; F19-F42 HydrophobicContact CD1-CD1 4.21Å; F19-F42 AromaticContact CD1-CE1 3.58Å; F19-F42 HydrophobicContact CD1-CE1 3.58Å; F19-F42 AromaticContact CE1-CD1 3.82Å; F19-F42 HydrophobicContact CE1-CD1 3.82Å; F19-F42 AromaticContact CE1-CE1 3.47Å; F19-F42 HydrophobicContact CE1-CE1 3.47Å; F19-F42 VanDerWaalsContact CE1-CE1 3.47Å; F19-F42 HydrophobicContact CE2-CE1 4.44Å; F19-F42 HydrophobicContact CG-CE1 4.14Å; F19-F42 HydrophobicContact CZ-CD1 4.41Å; F19-F42 AromaticContact CZ-CE1 3.93Å; F19-F42 HydrophobicContact CZ-CE1 3.93Å; F34-F42 HydrophobicContact CB-CD1 4.02Å; F34-F42 HydrophobicContact CB-CD2 4.42Å; F34-F42 HydrophobicContact CB-CE1 3.62Å; F34-F42 HydrophobicContact CB-CE2 4.05Å; F34-F42 HydrophobicContact CB-CG 4.41Å; F34-F42 HydrophobicContact CB-CZ 3.63Å; F34-F42 HydrophobicContact CD1-CZ 4.45Å; F34-F42 HydrophobicContact CD2-CD2 4.02Å; F34-F42 AromaticContact CD2-CE2 3.44Å; F34-F42 HydrophobicContact CD2-CE2 3.44Å; F34-F42 VanDerWaalsContact CD2-CE2 3.44Å; F34-F42 AromaticContact CD2-CZ 3.75Å; F34-F42 HydrophobicContact CD2-CZ 3.75Å; F34-F42 HydrophobicContact CE2-CE2 4.12Å; F34-F42 HydrophobicContact CG-CE1 4.21Å; F34-F42 AromaticContact CG-CE2 3.89Å; F34-F42 HydrophobicContact CG-CE2 3.89Å; F34-F42 AromaticContact CG-CZ 3.68Å; F34-F42 HydrophobicContact CG-CZ 3.68Å; F34-F42 PolarHBondContact N-O 3.09Å; F34-F42 PolarHBondContact O-N 3.44Å; F42-V44 HydrophobicContact CD2-CG2 4.02Å; F42-V44 HydrophobicContact CE2-CG2 3.7Å; F42-W56 CarbonylContact C-O 3.57Å; F42-W56 VanDerWaalsContact CA-O 3.24Å; F42-W56 WeakPolarHBondContact CA-O 3.3Å; F42-W56 WeakPolarHBondContact CB-O 3.42Å; F42-L66 HydrophobicContact CB-CD1 4.11Å; F42-L66 HydrophobicContact CB-CD2 4.28Å; F42-L85 HydrophobicContact CE2-CD2 3.85Å; F42-L85 HydrophobicContact CZ-CD2 3.93Å; F42-V88 HydrophobicContact CD1-CG1 3.96Å; F42-V88 HydrophobicContact CD2-CG1 4Å; F42-V88 HydrophobicContact CE1-CG1 3.71Å; F42-V88 HydrophobicContact CE2-CG1 3.78Å; F42-V88 HydrophobicContact CG-CG1 4.1Å; F42-V88 HydrophobicContact CZ-CB 4.49Å; F42-V88 HydrophobicContact CZ-CG1 3.63Å; F42-F92 HydrophobicContact CB-CE2 4.38Å; F42-F92 HydrophobicContact CD1-CD2 4.35Å; F42-F92 AromaticContact CD1-CE2 3.67Å; F42-F92 HydrophobicContact CD1-CE2 3.67Å; F42-F92 HydrophobicContact CD1-CZ 4.47Å; F42-F92 HydrophobicContact CE1-CE2 4.23Å; F42-F92 HydrophobicContact CG-CE2 4.16Å
43Y94.8Very high86.8Confident39 Ų3951.3 Ų51.315%0.15332%0.319CS..EExtended strand (participates in β ladder)trans-126.4151.7172.762.2-97000111.6R31 L32 L45 V55 W56R31-Y43 HydrophobicContact CG-CD2 4.37Å; L32-Y43 CarbonylContact O-C 3.57Å; L32-Y43 WeakPolarHBondContact O-CA 3.32Å; L32-Y43 WeakPolarHBondContact O-CB 3.47Å; Y43-L45 HydrophobicContact CD2-CD2 3.73Å; Y43-L45 HydrophobicContact CD2-CG 4.1Å; Y43-L45 HydrophobicContact CE2-CD1 4.34Å; Y43-L45 HydrophobicContact CE2-CD2 3.9Å; Y43-L45 HydrophobicContact CE2-CG 4.05Å; Y43-V55 WeakPolarHBondContact O-CA 3.46Å; Y43-W56 HydrophobicContact CD2-CB 4.4Å; Y43-W56 HydrophobicContact CE1-CB 3.96Å; Y43-W56 AromaticContact CE1-CD1 3.57Å; Y43-W56 HydrophobicContact CE1-CG 4.16Å; Y43-W56 HydrophobicContact CE2-CB 3.73Å; Y43-W56 HydrophobicContact CE2-CG 4.49Å; Y43-W56 VanDerWaalsContact CZ-CB 3.49Å; Y43-W56 AromaticContact CZ-CD1 3.51Å; Y43-W56 AromaticContact CZ-CG 3.8Å; Y43-W56 PolarHBondContact N-O 2.82Å; Y43-W56 PolarHBondContact O-N 3.11Å
44V94.2Very high86.7Confident0 Ų053.8 Ų53.80%033%0.329CS..EExtended strand (participates in β ladder)trans-117119.1178-1730000108.9R31 L32 F34 F42 F53 H54 V55 L81 L85R31-V44 WeakPolarHBondContact CA-O 3.46Å; L32-V44 PolarHBondContact N-O 2.87Å; L32-V44 PolarHBondContact O-N 3.35Å; F34-V44 HydrophobicContact CD2-CG2 4.15Å; F34-V44 HydrophobicContact CE2-CB 4.33Å; F34-V44 HydrophobicContact CE2-CG2 3.71Å; F42-V44 HydrophobicContact CD2-CG2 4.02Å; F42-V44 HydrophobicContact CE2-CG2 3.7Å; V44-F53 HydrophobicContact CG1-CD1 3.9Å; V44-H54 CarbonylContact C-O 3.47Å; V44-H54 VanDerWaalsContact CA-O 3.29Å; V44-H54 WeakPolarHBondContact CA-O 3.35Å; V44-V55 HydrophobicContact CB-CG1 4.45Å; V44-V55 HydrophobicContact CG1-CG1 4.15Å; V44-V55 HydrophobicContact CG2-CG1 3.98Å; V44-L81 HydrophobicContact CB-CD1 4.46Å; V44-L81 HydrophobicContact CG1-CD1 3.9Å; V44-L85 HydrophobicContact CG2-CD2 4.04Å
45L92.2Very high86.5Confident36 Ų3653.8 Ų53.819%0.18833%0.329CS..EExtended strand (participates in β ladder)trans-85.6117.3168.1-49.3-175.6000108.4E29 R30 R31 Y43 F53 H54E29-L45 HydrophobicContact CG-CD2 3.68Å; E29-L45 WeakPolarHBondContact OE1-CD2 3.25Å; R30-L45 CarbonylContact O-C 3.53Å; R31-L45 HydrophobicContact CB-CD2 3.84Å; R31-L45 HydrophobicContact CG-CD2 3.87Å; Y43-L45 HydrophobicContact CD2-CD2 3.73Å; Y43-L45 HydrophobicContact CD2-CG 4.1Å; Y43-L45 HydrophobicContact CE2-CD1 4.34Å; Y43-L45 HydrophobicContact CE2-CD2 3.9Å; Y43-L45 HydrophobicContact CE2-CG 4.05Å; L45-F53 CarbonylContact O-C 3.57Å; L45-F53 WeakPolarHBondContact O-CA 2.99Å; L45-H54 HydrophobicContact CB-CB 4.01Å; L45-H54 HydrophobicContact CD1-CB 4.28Å; L45-H54 HydrophobicContact CG-CB 4.31Å; L45-H54 PolarHBondContact N-O 2.79Å; L45-H54 PolarHBondContact O-N 2.94Å
46C89.9Confident86.5Confident10 Ų1054.8 Ų54.87%0.06833%0.333CS..PPolyproline II helixtrans-87.7139-179-64.40000110.5F3 L6 R30 G48 F53F3-C46 HydrophobicContact CE2-CB 4.43Å; L6-C46 HydrophobicContact CD1-CB 3.65Å; R30-C46 HydrophobicContact CB-CB 3.98Å; R30-C46 WeakPolarHBondContact CB-O 3.3Å; R30-C46 WeakPolarHBondContact O-CB 3.32Å; R30-C46 PolarHBondContact O-N 2.75Å; C46-G48 PolarHBondContact O-N 2.89Å; C46-F53 HydrophobicContact CB-CD1 4.47Å; C46-F53 HydrophobicContact CB-CE1 4.09Å
47P86.6Confident86.5Confident34 Ų3454.7 Ų54.722%0.22133%0.332CS..PPolyproline II helixtrans-69130.4-177.528.5-34.8000111.9D51 F53P47-D51 HydrophobicContact CB-CB 4.34Å; P47-D51 WeakPolarHBondContact CB-O 3.32Å; P47-F53 VanDerWaalsContact CD-CD1 3.43Å; P47-F53 VanDerWaalsContact CD-CZ 3.46Å; P47-F53 HydrophobicContact CG-CD1 4.49Å; P47-F53 HydrophobicContact CG-CD2 3.97Å; P47-F53 HydrophobicContact CG-CE1 4.3Å; P47-F53 HydrophobicContact CG-CE2 3.72Å; P47-F53 HydrophobicContact CG-CG 4.34Å; P47-F53 HydrophobicContact CG-CZ 3.91Å
48G74.7Confident86.6Confident59 Ų5954.9 Ų54.961%0.60833%0.333SS*.SBendtrans-89.8-0.2176.800000114.9C46C46-G48 PolarHBondContact O-N 2.89Å
49G67.2Low87Confident69 Ų6951 Ų5171%0.71131%0.309SS*.SBendtrans167.6-74.4-179.200000114.4
50T58.1Low87.1Confident142 Ų14257.2 Ų57.287%0.87133%0.328SS*.SBendtrans-100.4-10.5-175.644.90000114.4
51D75.3Confident87Confident114 Ų11462.6 Ų62.661%0.6136%0.357SS*.PPolyproline II helixtrans-87.1165.3-174.1-69.8-97.4000112.3P47P47-D51 HydrophobicContact CB-CB 4.34Å; P47-D51 WeakPolarHBondContact CB-O 3.32Å
52T86.5Confident86.8Confident97 Ų9761.5 Ų61.560%0.59535%0.349SS*.PPolyproline II helixtrans-93.6168.4168.354.50000110
53F90.7Very high86.6Confident15 Ų1563.5 Ų63.57%0.06636%0.36CS..PPolyproline II helixtrans-61.5155.9167-71.3-90.4000110.3L6 V44 L45 C46 P47 I73 K79 L81 V84L6-F53 HydrophobicContact CD2-CZ 4.33Å; V44-F53 HydrophobicContact CG1-CD1 3.9Å; L45-F53 CarbonylContact O-C 3.57Å; L45-F53 WeakPolarHBondContact O-CA 2.99Å; C46-F53 HydrophobicContact CB-CD1 4.47Å; C46-F53 HydrophobicContact CB-CE1 4.09Å; P47-F53 VanDerWaalsContact CD-CD1 3.43Å; P47-F53 VanDerWaalsContact CD-CZ 3.46Å; P47-F53 HydrophobicContact CG-CD1 4.49Å; P47-F53 HydrophobicContact CG-CD2 3.97Å; P47-F53 HydrophobicContact CG-CE1 4.3Å; P47-F53 HydrophobicContact CG-CE2 3.72Å; P47-F53 HydrophobicContact CG-CG 4.34Å; P47-F53 HydrophobicContact CG-CZ 3.91Å; F53-I73 HydrophobicContact CB-CD1 4.24Å; F53-I73 HydrophobicContact CB-CG1 4.5Å; F53-I73 HydrophobicContact CB-CG2 4.1Å; F53-I73 WeakPolarHBondContact O-CG2 3.42Å; F53-K79 WeakPolarHBondContact CE2-O 3.26Å; F53-L81 HydrophobicContact CD1-CD1 4.46Å; F53-L81 HydrophobicContact CE1-CB 4.02Å; F53-L81 HydrophobicContact CE1-CD1 4.13Å; F53-L81 HydrophobicContact CZ-CB 4.14Å; F53-V84 HydrophobicContact CB-CG2 4.16Å; F53-V84 HydrophobicContact CG-CG2 4.32Å
54H91.7Very high86.5Confident74 Ų7465.7 Ų65.734%0.34338%0.379SS..EExtended strand (participates in β ladder)trans-138.2138.8171.3-165.582.9000108.9V44 L45 Q70V44-H54 CarbonylContact C-O 3.47Å; V44-H54 VanDerWaalsContact CA-O 3.29Å; V44-H54 WeakPolarHBondContact CA-O 3.35Å; L45-H54 HydrophobicContact CB-CB 4.01Å; L45-H54 HydrophobicContact CD1-CB 4.28Å; L45-H54 HydrophobicContact CG-CB 4.31Å; L45-H54 PolarHBondContact N-O 2.79Å; L45-H54 PolarHBondContact O-N 2.94Å; H54-Q70 PolarHBondContact CD2-NE2 2.76Å; H54-Q70 PolarHBondContact CE1-NE2 3.07Å; H54-Q70 PolarHBondContact ND1-NE2 2.74Å; H54-Q70 PolarHBondContact ND1-OE1 3.38Å; H54-Q70 PolarHBondContact NE2-NE2 3.22Å
55V93.5Very high86.2Confident0 Ų068.2 Ų68.20%039%0.39CS..EExtended strand (participates in β ladder)trans-124.4130179.7-59.90000111.4Y43 V44 L66 A69 Q70 I73 V84 V88Y43-V55 WeakPolarHBondContact O-CA 3.46Å; V44-V55 HydrophobicContact CB-CG1 4.45Å; V44-V55 HydrophobicContact CG1-CG1 4.15Å; V44-V55 HydrophobicContact CG2-CG1 3.98Å; V55-L66 HydrophobicContact CB-CD2 4.32Å; V55-L66 HydrophobicContact CG2-CB 4.37Å; V55-L66 HydrophobicContact CG2-CD2 4.18Å; V55-A69 HydrophobicContact CG2-CB 3.88Å; V55-Q70 HydrophobicContact CG2-CG 3.81Å; V55-Q70 PolarHBondContact O-NE2 2.87Å; V55-I73 HydrophobicContact CG1-CD1 3.96Å; V55-I73 HydrophobicContact CG2-CD1 4.08Å; V55-V84 HydrophobicContact CG1-CG1 3.37Å; V55-V88 HydrophobicContact CB-CG2 4.28Å; V55-V88 HydrophobicContact CG1-CG2 4.09Å; V55-V88 HydrophobicContact CG2-CG2 4.2Å
56W93.6Very high86.2Confident108 Ų10866.7 Ų66.741%0.40938%0.382SS..EExtended strand (participates in β ladder)trans-147.6162.4-178-172-90.8000111.3F42 Y43 L63F42-W56 CarbonylContact C-O 3.57Å; F42-W56 VanDerWaalsContact CA-O 3.24Å; F42-W56 WeakPolarHBondContact CA-O 3.3Å; F42-W56 WeakPolarHBondContact CB-O 3.42Å; Y43-W56 HydrophobicContact CD2-CB 4.4Å; Y43-W56 HydrophobicContact CE1-CB 3.96Å; Y43-W56 AromaticContact CE1-CD1 3.57Å; Y43-W56 HydrophobicContact CE1-CG 4.16Å; Y43-W56 HydrophobicContact CE2-CB 3.73Å; Y43-W56 HydrophobicContact CE2-CG 4.49Å; Y43-W56 VanDerWaalsContact CZ-CB 3.49Å; Y43-W56 AromaticContact CZ-CD1 3.51Å; Y43-W56 AromaticContact CZ-CG 3.8Å; Y43-W56 PolarHBondContact N-O 2.82Å; Y43-W56 PolarHBondContact O-N 3.11Å; W56-L63 HydrophobicContact CD2-CD2 3.85Å; W56-L63 HydrophobicContact CE3-CD2 4.04Å; W56-L63 HydrophobicContact CH2-CD1 4.09Å; W56-L63 HydrophobicContact CH2-CD2 3.71Å; W56-L63 HydrophobicContact CZ2-CD1 3.98Å; W56-L63 HydrophobicContact CZ2-CD2 3.49Å; W56-L63 VanDerWaalsContact CZ2-CD2 3.49Å; W56-L63 HydrophobicContact CZ2-CG 4.4Å; W56-L63 HydrophobicContact CZ3-CD2 3.97Å
57S93.5Very high86.3Confident1 Ų172.2 Ų72.21%0.00741%0.407CS..  trans-136.4145.8176.8177.90000110.2S41 S59 C62 L63S41-S57 WeakPolarHBondContact O-CB 3.18Å; S41-S57 PolarHBondContact O-OG 2.86Å; S57-S59 PolarHBondContact O-N 3.5Å; S57-S59 PolarHBondContact OG-N 2.73Å; S57-C62 VanDerWaalsContact CB-CB 3.48Å; S57-C62 WeakPolarHBondContact OG-CB 3.2Å; S57-L63 WeakPolarHBondContact O-CD2 3.14Å
58E90.2Very high86.4Confident162 Ų16275.6 Ų75.676%0.75742%0.422SS*.SBendtrans-70.2-18.5169.4-61.5-166.7114.900112.2
59S88.2Confident87.1Confident36 Ų3672.8 Ų72.825%0.25239%0.393SS..  trans-87.9120.5179.1-59.30000110.7S57 D61 C62 L63S57-S59 PolarHBondContact O-N 3.5Å; S57-S59 PolarHBondContact OG-N 2.73Å; S59-D61 PolarHBondContact O-N 3.08Å; S59-C62 WeakPolarHBondContact O-CB 3.45Å; S59-C62 PolarHBondContact O-N 3.44Å; S59-L63 PolarHBondContact O-N 3.47Å
60E88.9Confident88.3Confident163 Ų16371 Ų7176%0.76237%0.366SS*.THydrogen-bonded Turntrans-60.2-32.5177.4-66.1-179.292.400112.3C62 L63 P64E60-C62 PolarHBondContact O-N 3.29Å; E60-L63 HydrophobicContact CB-CD1 4.46Å; E60-L63 HydrophobicContact CG-CD1 4.42Å; E60-L63 WeakPolarHBondContact O-CB 3.2Å; E60-L63 PolarHBondContact O-N 3.2Å; E60-P64 VanDerWaalsContact O-CD 3.26Å; E60-P64 WeakPolarHBondContact O-CD 3.37Å
61D88.3Confident89.9Confident124 Ų12469.3 Ų69.366%0.66335%0.352SS*.THydrogen-bonded Turntrans-62.6-26.2174.8-62.8-84.1000113.1S59 P64 F65S59-D61 PolarHBondContact O-N 3.08Å; D61-P64 WeakPolarHBondContact O-CD 3.45Å; D61-P64 WeakPolarHBondContact O-CG 3.19Å; D61-F65 WeakPolarHBondContact O-CD2 3.25Å; D61-F65 WeakPolarHBondContact O-CE2 3.38Å
62C90.1Very high90.5Very high5 Ų566.5 Ų66.53%0.03433%0.333CS..THydrogen-bonded Turntrans-86.6-26.5-178.9-67.90000112.7S57 S59 E60 F65 L66 F92S57-C62 VanDerWaalsContact CB-CB 3.48Å; S57-C62 WeakPolarHBondContact OG-CB 3.2Å; S59-C62 WeakPolarHBondContact O-CB 3.45Å; S59-C62 PolarHBondContact O-N 3.44Å; E60-C62 PolarHBondContact O-N 3.29Å; C62-F65 WeakPolarHBondContact O-CB 3.4Å; C62-F65 PolarHBondContact O-N 2.8Å; C62-F65 VanDerWaalsContact O-N 3.12Å; C62-L66 WeakPolarHBondContact O-CG 3.29Å; C62-L66 PolarHBondContact O-N 3.07Å; C62-F92 HydrophobicContact CB-CE1 3.71Å; C62-F92 HydrophobicContact CB-CZ 3.78Å; C62-F92 VanDerWaalsContact SG-CE1 3.6Å
63L91.3Very high90.7Very high45 Ų4562.1 Ų62.124%0.23631%0.306CS..Hα-helixtrans-52.4-46.5-179.3-59.3-179.1000114.6W56 S57 S59 E60 F65 L66 Q67W56-L63 HydrophobicContact CD2-CD2 3.85Å; W56-L63 HydrophobicContact CE3-CD2 4.04Å; W56-L63 HydrophobicContact CH2-CD1 4.09Å; W56-L63 HydrophobicContact CH2-CD2 3.71Å; W56-L63 HydrophobicContact CZ2-CD1 3.98Å; W56-L63 HydrophobicContact CZ2-CD2 3.49Å; W56-L63 VanDerWaalsContact CZ2-CD2 3.49Å; W56-L63 HydrophobicContact CZ2-CG 4.4Å; W56-L63 HydrophobicContact CZ3-CD2 3.97Å; S57-L63 WeakPolarHBondContact O-CD2 3.14Å; S59-L63 PolarHBondContact O-N 3.47Å; E60-L63 HydrophobicContact CB-CD1 4.46Å; E60-L63 HydrophobicContact CG-CD1 4.42Å; E60-L63 WeakPolarHBondContact O-CB 3.2Å; E60-L63 PolarHBondContact O-N 3.2Å; L63-F65 PolarHBondContact O-N 2.99Å; L63-L66 PolarHBondContact O-N 3.28Å; L63-Q67 PolarHBondContact O-N 2.91Å
64P91.3Very high90.6Very high85 Ų8566.1 Ų66.155%0.55234%0.336SS*.Hα-helixtrans-62.6-31.6179.723.2-34.1000113E60 D61E60-P64 VanDerWaalsContact O-CD 3.26Å; E60-P64 WeakPolarHBondContact O-CD 3.37Å; D61-P64 WeakPolarHBondContact O-CD 3.45Å; D61-P64 WeakPolarHBondContact O-CG 3.19Å
65F89.6Confident90.4Very high54 Ų5465.7 Ų65.724%0.23734%0.342CS..Hα-helixtrans-75.3-41.3177.6-59.3-79.3000111.2D61 C62 L63 Q67 L68 S91 F92 P94 L95D61-F65 WeakPolarHBondContact O-CD2 3.25Å; D61-F65 WeakPolarHBondContact O-CE2 3.38Å; C62-F65 WeakPolarHBondContact O-CB 3.4Å; C62-F65 PolarHBondContact O-N 2.8Å; C62-F65 VanDerWaalsContact O-N 3.12Å; L63-F65 PolarHBondContact O-N 2.99Å; F65-Q67 VanDerWaalsContact C-N 3.26Å; F65-Q67 PolarHBondContact O-N 3.13Å; F65-L68 PolarHBondContact O-N 3.34Å; F65-S91 WeakPolarHBondContact CD1-O 3.5Å; F65-S91 VanDerWaalsContact O-CB 3.29Å; F65-S91 WeakPolarHBondContact O-CB 3.29Å; F65-S91 PolarHBondContact O-OG 2.93Å; F65-F92 HydrophobicContact CB-CD1 4.29Å; F65-F92 HydrophobicContact CB-CE1 4.13Å; F65-P94 HydrophobicContact CD1-CG 4.21Å; F65-P94 HydrophobicContact CE1-CG 3.66Å; F65-L95 HydrophobicContact CD2-CD1 3.31Å; F65-L95 HydrophobicContact CD2-CG 4.01Å; F65-L95 HydrophobicContact CE1-CG 4.21Å; F65-L95 HydrophobicContact CE2-CD1 3.26Å; F65-L95 HydrophobicContact CE2-CD2 3.76Å; F65-L95 HydrophobicContact CE2-CG 3.51Å; F65-L95 HydrophobicContact CG-CD1 4Å; F65-L95 HydrophobicContact CZ-CD1 3.88Å; F65-L95 HydrophobicContact CZ-CD2 3.87Å; F65-L95 HydrophobicContact CZ-CG 3.6Å
66L92.1Very high89.4Confident4 Ų472 Ų722%0.02138%0.384CS..Hα-helixtrans-67.1-26.3176.1-67.1179.8000113.1F42 V55 C62 L63 L68 A69 Q70 V88 F92F42-L66 HydrophobicContact CB-CD1 4.11Å; F42-L66 HydrophobicContact CB-CD2 4.28Å; V55-L66 HydrophobicContact CB-CD2 4.32Å; V55-L66 HydrophobicContact CG2-CB 4.37Å; V55-L66 HydrophobicContact CG2-CD2 4.18Å; C62-L66 WeakPolarHBondContact O-CG 3.29Å; C62-L66 PolarHBondContact O-N 3.07Å; L63-L66 PolarHBondContact O-N 3.28Å; L66-L68 PolarHBondContact O-N 3.26Å; L66-A69 PolarHBondContact O-N 2.77Å; L66-A69 VanDerWaalsContact O-N 3.1Å; L66-Q70 WeakPolarHBondContact O-CG 3.33Å; L66-Q70 PolarHBondContact O-N 3.01Å; L66-V88 HydrophobicContact CD2-CB 4.4Å; L66-V88 HydrophobicContact CD2-CG1 3.71Å; L66-V88 HydrophobicContact CD2-CG2 3.88Å; L66-F92 HydrophobicContact CD1-CZ 4.5Å; L66-F92 HydrophobicContact CD2-CE2 3.68Å; L66-F92 HydrophobicContact CD2-CZ 3.84Å; L66-F92 HydrophobicContact CG-CE2 4.33Å; L66-F92 HydrophobicContact CG-CZ 3.96Å
67Q91.4Very high88.8Confident126 Ų12669.1 Ų69.159%0.58939%0.388SS*.Hα-helixtrans-57.5-35.7177.6-17163.480.500112.4L63 F65 Q70 D71L63-Q67 PolarHBondContact O-N 2.91Å; F65-Q67 VanDerWaalsContact C-N 3.26Å; F65-Q67 PolarHBondContact O-N 3.13Å; Q67-Q70 WeakPolarHBondContact O-CB 3.36Å; Q67-Q70 PolarHBondContact O-N 2.72Å; Q67-D71 PolarHBondContact O-N 3.39Å
68L88Confident88.3Confident104 Ų10479 Ų7955%0.54543%0.431SS..Hα-helixtrans-68.7-41.3176.8-175.365.1000111.7F65 L66 Q70 D71 Y72F65-L68 PolarHBondContact O-N 3.34Å; L66-L68 PolarHBondContact O-N 3.26Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; L68-D71 PolarHBondContact O-N 2.78Å; L68-Y72 PolarHBondContact O-N 2.71Å
69A90.6Very high88.2Confident0 Ų073.1 Ų73.10%040%0.403CS..Hα-helixtrans-65.8-39.117500000111.4V55 L66 Y72 I73 K87 V88V55-A69 HydrophobicContact CG2-CB 3.88Å; L66-A69 PolarHBondContact O-N 2.77Å; L66-A69 VanDerWaalsContact O-N 3.1Å; A69-Y72 WeakPolarHBondContact O-CB 3.37Å; A69-Y72 PolarHBondContact O-N 3.41Å; A69-I73 WeakPolarHBondContact O-CD1 3.15Å; A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 3.38Å; A69-K87 HydrophobicContact CB-CB 4.19Å; A69-V88 HydrophobicContact CB-CG2 3.56Å
70Q90.7Very high88.3Confident31 Ų3174.8 Ų74.815%0.14541%0.412CS..Hα-helixtrans-60.5-46.3173.4-76.7-73.8-0.400112.7H54 V55 L66 Q67 L68 Y72 I73 S74H54-Q70 PolarHBondContact CD2-NE2 2.76Å; H54-Q70 PolarHBondContact CE1-NE2 3.07Å; H54-Q70 PolarHBondContact ND1-NE2 2.74Å; H54-Q70 PolarHBondContact ND1-OE1 3.38Å; H54-Q70 PolarHBondContact NE2-NE2 3.22Å; V55-Q70 HydrophobicContact CG2-CG 3.81Å; V55-Q70 PolarHBondContact O-NE2 2.87Å; L66-Q70 WeakPolarHBondContact O-CG 3.33Å; L66-Q70 PolarHBondContact O-N 3.01Å; Q67-Q70 WeakPolarHBondContact O-CB 3.36Å; Q67-Q70 PolarHBondContact O-N 2.72Å; L68-Q70 VanDerWaalsContact C-N 3.34Å; Q70-Y72 VanDerWaalsContact C-N 3.3Å; Q70-Y72 PolarHBondContact O-N 3Å; Q70-I73 PolarHBondContact O-N 3.24Å; Q70-S74 WeakPolarHBondContact O-CB 3.24Å; Q70-S74 PolarHBondContact O-N 2.77Å
71D91.7Very high88.5Confident108 Ų10867.2 Ų67.258%0.57838%0.376SS*.Hα-helixtrans-59.7-43.3176-175.4-95000111.2Q67 L68 I73 S74 S75Q67-D71 PolarHBondContact O-N 3.39Å; L68-D71 PolarHBondContact O-N 2.78Å; D71-I73 PolarHBondContact O-N 2.95Å; D71-S74 CarbonylContact O-C 3.41Å; D71-S74 PolarHBondContact O-N 2.94Å; D71-S75 PolarHBondContact O-N 3.46Å
72Y89.4Confident88.6Confident54 Ų5465.2 Ų65.221%0.21237%0.365CS..Hα-helixtrans-62.1-40.6175.4176.2-95.3000113.1L68 A69 Q70 S75 K79 E83 K87L68-Y72 PolarHBondContact O-N 2.71Å; A69-Y72 WeakPolarHBondContact O-CB 3.37Å; A69-Y72 PolarHBondContact O-N 3.41Å; Q70-Y72 VanDerWaalsContact C-N 3.3Å; Q70-Y72 PolarHBondContact O-N 3Å; Y72-S75 WeakPolarHBondContact O-CB 3.47Å; Y72-S75 PolarHBondContact O-N 3.02Å; Y72-K79 HydrophobicContact CD1-CD 4.27Å; Y72-K79 HydrophobicContact CD1-CG 4.27Å; Y72-K79 HydrophobicContact CE1-CB 4.45Å; Y72-K79 HydrophobicContact CE1-CD 3.48Å; Y72-K79 VanDerWaalsContact CE1-CD 3.48Å; Y72-K79 HydrophobicContact CE1-CG 3.82Å; Y72-K79 VanDerWaalsContact CZ-CE 3.47Å; Y72-K79 VanDerWaalsContact CZ-NZ 3.26Å; Y72-K79 VanDerWaalsContact O-CE 3.26Å; Y72-K79 WeakPolarHBondContact O-CE 3.17Å; Y72-K79 PolarHBondContact OH-NZ 2.89Å; Y72-K79 VanDerWaalsContact OH-NZ 3.07Å; Y72-E83 HydrophobicContact CE1-CB 4.16Å; Y72-E83 PolarHBondContact OH-OE1 2.98Å; Y72-K87 HydrophobicContact CD1-CG 3.82Å; Y72-K87 HydrophobicContact CD2-CG 4.38Å; Y72-K87 HydrophobicContact CE1-CG 4.17Å; Y72-K87 HydrophobicContact CG-CD 4.48Å; Y72-K87 HydrophobicContact CG-CG 3.94Å
73I90.4Very high88.7Confident5 Ų568.3 Ų68.33%0.02638%0.379CS..Hα-helixtrans-67.5-39.8176.3-64.4157.8000111.2F53 V55 A69 Q70 D71 S75 V84F53-I73 HydrophobicContact CB-CD1 4.24Å; F53-I73 HydrophobicContact CB-CG1 4.5Å; F53-I73 HydrophobicContact CB-CG2 4.1Å; F53-I73 WeakPolarHBondContact O-CG2 3.42Å; V55-I73 HydrophobicContact CG1-CD1 3.96Å; V55-I73 HydrophobicContact CG2-CD1 4.08Å; A69-I73 WeakPolarHBondContact O-CD1 3.15Å; A69-I73 WeakPolarHBondContact O-CG1 3.5Å; A69-I73 PolarHBondContact O-N 3.38Å; Q70-I73 PolarHBondContact O-N 3.24Å; D71-I73 PolarHBondContact O-N 2.95Å; I73-S75 PolarHBondContact O-N 3.49Å; I73-V84 HydrophobicContact CD1-CB 4.49Å; I73-V84 HydrophobicContact CD1-CG1 3.74Å; I73-V84 HydrophobicContact CD1-CG2 3.94Å; I73-V84 HydrophobicContact CG1-CG1 4.28Å; I73-V84 HydrophobicContact CG1-CG2 3.58Å
74S88.6Confident88.7Confident100 Ų10066.2 Ų66.270%0.69937%0.368SS*.Hα-helixtrans-71-14176.5-170.70000112.8Q70 D71Q70-S74 WeakPolarHBondContact O-CB 3.24Å; Q70-S74 PolarHBondContact O-N 2.77Å; D71-S74 CarbonylContact O-C 3.41Å; D71-S74 PolarHBondContact O-N 2.94Å
75S87.3Confident88.8Confident65 Ų6562.1 Ų62.146%0.45534%0.342SS..SBendtrans-68156.8176.3-161.10000111.9D71 Y72 I73 G77D71-S75 PolarHBondContact O-N 3.46Å; Y72-S75 WeakPolarHBondContact O-CB 3.47Å; Y72-S75 PolarHBondContact O-N 3.02Å; I73-S75 PolarHBondContact O-N 3.49Å; S75-G77 PolarHBondContact O-N 3.33Å
76C73.3Confident88.9Confident131 Ų13163.9 Ų63.989%0.88535%0.351SS*.SBendtrans-65.1123.9-174.3-164.30000111.4
77G80Confident88.9Confident49 Ų4967.6 Ų67.651%0.50537%0.367SS..SBendtrans127.6148.2177.400000112.2S75 K79S75-G77 PolarHBondContact O-N 3.33Å; G77-K79 PolarHBondContact O-N 3.5Å
78K82.8Confident88.9Confident207 Ų20761.6 Ų61.690%0.934%0.339SS*.PPolyproline II helixtrans-71.4123.4174.1-71.3-176.2178.4-177.30109
79K89.4Confident89Confident40 Ų4057.5 Ų57.517%0.17432%0.316CS..PPolyproline II helixtrans-92.5147.1173.8-55.1-46.8-175.1174.70110.4F53 Y72 G77 V84F53-K79 WeakPolarHBondContact CE2-O 3.26Å; Y72-K79 HydrophobicContact CD1-CD 4.27Å; Y72-K79 HydrophobicContact CD1-CG 4.27Å; Y72-K79 HydrophobicContact CE1-CB 4.45Å; Y72-K79 HydrophobicContact CE1-CD 3.48Å; Y72-K79 VanDerWaalsContact CE1-CD 3.48Å; Y72-K79 HydrophobicContact CE1-CG 3.82Å; Y72-K79 VanDerWaalsContact CZ-CE 3.47Å; Y72-K79 VanDerWaalsContact CZ-NZ 3.26Å; Y72-K79 VanDerWaalsContact O-CE 3.26Å; Y72-K79 WeakPolarHBondContact O-CE 3.17Å; Y72-K79 PolarHBondContact OH-NZ 2.89Å; Y72-K79 VanDerWaalsContact OH-NZ 3.07Å; G77-K79 PolarHBondContact O-N 3.5Å; K79-V84 HydrophobicContact CB-CG2 4.08Å
80T90.4Very high89Confident70 Ų7060.3 Ų60.343%0.42933%0.334SS..PPolyproline II helixtrans-93.3157.4170.562.50000110.4L82 E83 V84T80-L82 PolarHBondContact O-N 3.25Å; T80-E83 PolarHBondContact N-OE2 3.43Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.17Å; T80-E83 PolarHBondContact OG1-N 3.44Å; T80-E83 PolarHBondContact OG1-OE2 2.87Å; T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.11Å; T80-V84 VanDerWaalsContact O-N 3.15Å
81L91.2Very high88.9Confident4 Ų459.4 Ų59.42%0.02133%0.331CS..Hα-helixtrans-54.7-43176.7175.363.9000111.5L6 A9 A10 L32 V44 F53 V84 L85L6-L81 HydrophobicContact CB-CD2 4Å; L6-L81 HydrophobicContact CD2-CB 3.96Å; L6-L81 HydrophobicContact CD2-CD2 4.03Å; L6-L81 VanDerWaalsContact O-CD2 3.23Å; L6-L81 WeakPolarHBondContact O-CD2 3.48Å; A9-L81 HydrophobicContact CB-CD2 4.46Å; A10-L81 HydrophobicContact CB-CD2 4.24Å; L32-L81 HydrophobicContact CD1-CD1 4.33Å; L32-L81 HydrophobicContact CD1-CD2 3.9Å; V44-L81 HydrophobicContact CB-CD1 4.46Å; V44-L81 HydrophobicContact CG1-CD1 3.9Å; F53-L81 HydrophobicContact CD1-CD1 4.46Å; F53-L81 HydrophobicContact CE1-CB 4.02Å; F53-L81 HydrophobicContact CE1-CD1 4.13Å; F53-L81 HydrophobicContact CZ-CB 4.14Å; L81-V84 WeakPolarHBondContact O-CB 3.19Å; L81-V84 PolarHBondContact O-N 3.02Å; L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CD2-CD1 4.37Å; L81-L85 HydrophobicContact CG-CD1 3.8Å; L81-L85 HydrophobicContact CG-CG 4.21Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.41Å; L81-L85 PolarHBondContact O-N 3.35Å
82L91.3Very high88.8Confident82 Ų8254.2 Ų54.243%0.42930%0.303SS..Hα-helixtrans-61.9-46.4179.1-69.2173.1000111.8W13 T80 V84 L85 E86W13-L82 HydrophobicContact CB-CD2 3.93Å; W13-L82 HydrophobicContact CG-CD2 4.24Å; T80-L82 PolarHBondContact O-N 3.25Å; L82-V84 PolarHBondContact O-N 3.06Å; L82-L85 PolarHBondContact O-N 3.43Å; L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 VanDerWaalsContact O-CG 3.24Å; L82-E86 WeakPolarHBondContact O-CG 3.38Å; L82-E86 PolarHBondContact O-N 3.21Å
83E91.6Very high88.7Confident71 Ų7153.3 Ų53.333%0.33230%0.299SS..Hα-helixtrans-58.1-38.5176.5-73.8171.6106.100112.3Y72 T80 K87Y72-E83 HydrophobicContact CE1-CB 4.16Å; Y72-E83 PolarHBondContact OH-OE1 2.98Å; T80-E83 PolarHBondContact N-OE2 3.43Å; T80-E83 PolarHBondContact O-N 2.91Å; T80-E83 VanDerWaalsContact OG1-CG 3.3Å; T80-E83 WeakPolarHBondContact OG1-CG 3.17Å; T80-E83 PolarHBondContact OG1-N 3.44Å; T80-E83 PolarHBondContact OG1-OE2 2.87Å; E83-K87 WeakPolarHBondContact O-CG 3.3Å; E83-K87 PolarHBondContact O-N 3.32Å; E83-K87 VanDerWaalsContact O-N 3.08Å
84V91.9Very high88.5Confident0 Ų056.7 Ų56.70%032%0.322CS..Hα-helixtrans-66.2-49.3176.3173.30000111F53 V55 I73 K79 T80 L81 L82 E86 K87 V88F53-V84 HydrophobicContact CB-CG2 4.16Å; F53-V84 HydrophobicContact CG-CG2 4.32Å; V55-V84 HydrophobicContact CG1-CG1 3.37Å; I73-V84 HydrophobicContact CD1-CB 4.49Å; I73-V84 HydrophobicContact CD1-CG1 3.74Å; I73-V84 HydrophobicContact CD1-CG2 3.94Å; I73-V84 HydrophobicContact CG1-CG1 4.28Å; I73-V84 HydrophobicContact CG1-CG2 3.58Å; K79-V84 HydrophobicContact CB-CG2 4.08Å; T80-V84 WeakPolarHBondContact O-CG2 3.4Å; T80-V84 PolarHBondContact O-N 3.11Å; T80-V84 VanDerWaalsContact O-N 3.15Å; L81-V84 WeakPolarHBondContact O-CB 3.19Å; L81-V84 PolarHBondContact O-N 3.02Å; L82-V84 PolarHBondContact O-N 3.06Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.25Å; V84-K87 PolarHBondContact O-N 2.96Å; V84-V88 HydrophobicContact CG1-CG2 4.4Å; V84-V88 VanDerWaalsContact O-CG2 3.3Å; V84-V88 WeakPolarHBondContact O-CG2 3.45Å; V84-V88 PolarHBondContact O-N 3.44Å
85L93.3Very high88.3Confident0 Ų055 Ų550%031%0.305CS..Hα-helixtrans-61.1-41.4178.8-68.8173.7000111.9W13 F34 F42 V44 L81 L82 K87 V88 F89W13-L85 HydrophobicContact CB-CD1 4.26Å; W13-L85 HydrophobicContact CD2-CB 3.98Å; W13-L85 HydrophobicContact CD2-CD1 3.84Å; W13-L85 HydrophobicContact CD2-CG 4.41Å; W13-L85 HydrophobicContact CE3-CB 4.44Å; W13-L85 HydrophobicContact CE3-CD1 3.96Å; W13-L85 HydrophobicContact CE3-CD2 4.42Å; W13-L85 HydrophobicContact CG-CB 4.4Å; W13-L85 HydrophobicContact CG-CD1 3.97Å; W13-L85 HydrophobicContact CH2-CB 4.34Å; W13-L85 HydrophobicContact CH2-CD2 4.48Å; W13-L85 HydrophobicContact CZ2-CB 3.88Å; W13-L85 HydrophobicContact CZ3-CD2 4.26Å; F34-L85 HydrophobicContact CD2-CD2 4.4Å; F34-L85 HydrophobicContact CE1-CD2 4.24Å; F34-L85 HydrophobicContact CE2-CD2 3.9Å; F34-L85 HydrophobicContact CZ-CD1 4.34Å; F34-L85 HydrophobicContact CZ-CD2 3.8Å; F42-L85 HydrophobicContact CE2-CD2 3.85Å; F42-L85 HydrophobicContact CZ-CD2 3.93Å; V44-L85 HydrophobicContact CG2-CD2 4.04Å; L81-L85 HydrophobicContact CD1-CD1 4.04Å; L81-L85 HydrophobicContact CD1-CD2 4.47Å; L81-L85 HydrophobicContact CD1-CG 4.02Å; L81-L85 HydrophobicContact CD2-CD1 4.37Å; L81-L85 HydrophobicContact CG-CD1 3.8Å; L81-L85 HydrophobicContact CG-CG 4.21Å; L81-L85 VanDerWaalsContact O-CG 3.3Å; L81-L85 WeakPolarHBondContact O-CG 3.41Å; L81-L85 PolarHBondContact O-N 3.35Å; L82-L85 PolarHBondContact O-N 3.43Å; L85-K87 VanDerWaalsContact C-N 3.35Å; L85-K87 PolarHBondContact O-N 3.09Å; L85-V88 PolarHBondContact O-N 3.31Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 2.95Å
86E91.6Very high88.1Confident90 Ų9053.6 Ų53.642%0.42129%0.291SS..Hα-helixtrans-62.6-41175.7-71.1-61.6111.600111.8W13 L82 V84 F89 T90W13-E86 PolarHBondContact NE1-OE1 3.27Å; L82-E86 WeakPolarHBondContact O-CB 3.4Å; L82-E86 VanDerWaalsContact O-CG 3.24Å; L82-E86 WeakPolarHBondContact O-CG 3.38Å; L82-E86 PolarHBondContact O-N 3.21Å; V84-E86 VanDerWaalsContact C-N 3.33Å; V84-E86 PolarHBondContact O-N 3.25Å; E86-F89 PolarHBondContact O-N 2.99Å; E86-T90 WeakPolarHBondContact O-CB 3.35Å; E86-T90 PolarHBondContact O-N 2.83Å; E86-T90 PolarHBondContact O-OG1 2.56Å
87K91.3Very high88.5Confident82 Ų8250.5 Ų50.536%0.35728%0.282SS..Hα-helixtrans-64.5-45.9174.4-78.4-60.5-174.9-168.70111.9A69 Y72 E83 V84 L85 F89 T90 S91A69-K87 HydrophobicContact CB-CB 4.19Å; Y72-K87 HydrophobicContact CD1-CG 3.82Å; Y72-K87 HydrophobicContact CD2-CG 4.38Å; Y72-K87 HydrophobicContact CE1-CG 4.17Å; Y72-K87 HydrophobicContact CG-CD 4.48Å; Y72-K87 HydrophobicContact CG-CG 3.94Å; E83-K87 WeakPolarHBondContact O-CG 3.3Å; E83-K87 PolarHBondContact O-N 3.32Å; E83-K87 VanDerWaalsContact O-N 3.08Å; V84-K87 PolarHBondContact O-N 2.96Å; L85-K87 VanDerWaalsContact C-N 3.35Å; L85-K87 PolarHBondContact O-N 3.09Å; K87-F89 PolarHBondContact O-N 3.27Å; K87-T90 PolarHBondContact O-N 2.94Å; K87-S91 PolarHBondContact O-N 2.93Å; K87-S91 PolarHBondContact O-OG 3.43Å; K87-S91 VanDerWaalsContact O-OG 3.11Å
88V92.2Very high88.4Confident0 Ų051.3 Ų51.30%027%0.274CS..Hα-helixtrans-59-48176.4171.10000110.8F42 V55 L66 A69 V84 L85 T90 S91 F92F42-V88 HydrophobicContact CD1-CG1 3.96Å; F42-V88 HydrophobicContact CD2-CG1 4Å; F42-V88 HydrophobicContact CE1-CG1 3.71Å; F42-V88 HydrophobicContact CE2-CG1 3.78Å; F42-V88 HydrophobicContact CG-CG1 4.1Å; F42-V88 HydrophobicContact CZ-CB 4.49Å; F42-V88 HydrophobicContact CZ-CG1 3.63Å; V55-V88 HydrophobicContact CB-CG2 4.28Å; V55-V88 HydrophobicContact CG1-CG2 4.09Å; V55-V88 HydrophobicContact CG2-CG2 4.2Å; L66-V88 HydrophobicContact CD2-CB 4.4Å; L66-V88 HydrophobicContact CD2-CG1 3.71Å; L66-V88 HydrophobicContact CD2-CG2 3.88Å; A69-V88 HydrophobicContact CB-CG2 3.56Å; V84-V88 HydrophobicContact CG1-CG2 4.4Å; V84-V88 VanDerWaalsContact O-CG2 3.3Å; V84-V88 WeakPolarHBondContact O-CG2 3.45Å; V84-V88 PolarHBondContact O-N 3.44Å; L85-V88 PolarHBondContact O-N 3.31Å; V88-T90 PolarHBondContact O-N 3.16Å; V88-S91 PolarHBondContact O-N 3.37Å; V88-F92 HydrophobicContact CG1-CD2 3.38Å; V88-F92 HydrophobicContact CG1-CE2 3.28Å; V88-F92 WeakPolarHBondContact O-CD2 3.44Å; V88-F92 PolarHBondContact O-N 3.03Å
89F91Very high88Confident18 Ų1846 Ų468%0.07926%0.261CS..Hα-helixtrans-61.6-44.6177172-103000112.6W13 P18 F19 L85 E86 K87 S91 F92 R93 L96 L98W13-F89 HydrophobicContact CH2-CB 4.41Å; W13-F89 HydrophobicContact CZ2-CB 3.8Å; W13-F89 HydrophobicContact CZ2-CG 4.4Å; P18-F89 HydrophobicContact CG-CE2 3.98Å; F19-F89 HydrophobicContact CD2-CD2 4.22Å; F19-F89 AromaticContact CE2-CD2 3.93Å; F19-F89 HydrophobicContact CE2-CD2 3.93Å; L85-F89 WeakPolarHBondContact O-CB 3.34Å; L85-F89 PolarHBondContact O-N 2.95Å; E86-F89 PolarHBondContact O-N 2.99Å; K87-F89 PolarHBondContact O-N 3.27Å; F89-S91 VanDerWaalsContact C-N 3.28Å; F89-S91 PolarHBondContact O-N 3.49Å; F89-F92 CarbonylContact O-C 3.47Å; F89-F92 WeakPolarHBondContact O-CA 2.96Å; F89-F92 PolarHBondContact O-N 3.25Å; F89-R93 WeakPolarHBondContact O-CG 3.46Å; F89-R93 PolarHBondContact O-N 3.37Å; F89-L96 HydrophobicContact CD2-CD1 4.39Å; F89-L96 HydrophobicContact CE2-CD1 4.13Å; F89-L98 HydrophobicContact CE2-CD1 4.1Å; F89-L98 HydrophobicContact CZ-CD1 3.92Å
90T89.4Confident86.9Confident60 Ų6049.2 Ų49.237%0.36828%0.28SS..Hα-helixtrans-57.2-44.7175.7-58.70000110.9E86 K87 V88 F92 R93E86-T90 WeakPolarHBondContact O-CB 3.35Å; E86-T90 PolarHBondContact O-N 2.83Å; E86-T90 PolarHBondContact O-OG1 2.56Å; K87-T90 PolarHBondContact O-N 2.94Å; V88-T90 PolarHBondContact O-N 3.16Å; T90-F92 VanDerWaalsContact C-N 3.32Å; T90-F92 PolarHBondContact O-N 3.4Å; T90-R93 WeakPolarHBondContact O-CB 3.49Å; T90-R93 WeakPolarHBondContact O-CG 3.47Å; T90-R93 PolarHBondContact O-N 3.31Å
91S89.4Confident85.5Confident11 Ų1150.9 Ų50.98%0.07729%0.285CS..Hα-helixtrans-66-32.9175.1-61.40000112.7F65 K87 V88 F89 P94F65-S91 WeakPolarHBondContact CD1-O 3.5Å; F65-S91 VanDerWaalsContact O-CB 3.29Å; F65-S91 WeakPolarHBondContact O-CB 3.29Å; F65-S91 PolarHBondContact O-OG 2.93Å; K87-S91 PolarHBondContact O-N 2.93Å; K87-S91 PolarHBondContact O-OG 3.43Å; K87-S91 VanDerWaalsContact O-OG 3.11Å; V88-S91 PolarHBondContact O-N 3.37Å; F89-S91 VanDerWaalsContact C-N 3.28Å; F89-S91 PolarHBondContact O-N 3.49Å; S91-P94 VanDerWaalsContact O-CD 3.3Å; S91-P94 WeakPolarHBondContact O-CD 3.15Å; S91-P94 WeakPolarHBondContact O-CG 3.16Å
92F89Confident83.8Confident0 Ų058.8 Ų58.80%032%0.322CS..Hα-helixtrans-81.4-12.9177.9-78.3-56.8000115.1F19 V40 F42 C62 F65 L66 V88 F89 T90 L95 L96F19-F92 HydrophobicContact CZ-CB 4.12Å; F19-F92 AromaticContact CZ-CD2 3.84Å; F19-F92 HydrophobicContact CZ-CD2 3.84Å; F19-F92 HydrophobicContact CZ-CG 4.12Å; V40-F92 HydrophobicContact CG1-CD1 3.55Å; V40-F92 HydrophobicContact CG1-CD2 4.23Å; V40-F92 HydrophobicContact CG1-CE1 3.48Å; V40-F92 VanDerWaalsContact CG1-CE1 3.48Å; V40-F92 HydrophobicContact CG1-CE2 4.11Å; V40-F92 HydrophobicContact CG1-CG 3.98Å; V40-F92 HydrophobicContact CG1-CZ 3.79Å; F42-F92 HydrophobicContact CB-CE2 4.38Å; F42-F92 HydrophobicContact CD1-CD2 4.35Å; F42-F92 AromaticContact CD1-CE2 3.67Å; F42-F92 HydrophobicContact CD1-CE2 3.67Å; F42-F92 HydrophobicContact CD1-CZ 4.47Å; F42-F92 HydrophobicContact CE1-CE2 4.23Å; F42-F92 HydrophobicContact CG-CE2 4.16Å; C62-F92 HydrophobicContact CB-CE1 3.71Å; C62-F92 HydrophobicContact CB-CZ 3.78Å; C62-F92 VanDerWaalsContact SG-CE1 3.6Å; F65-F92 HydrophobicContact CB-CD1 4.29Å; F65-F92 HydrophobicContact CB-CE1 4.13Å; L66-F92 HydrophobicContact CD1-CZ 4.5Å; L66-F92 HydrophobicContact CD2-CE2 3.68Å; L66-F92 HydrophobicContact CD2-CZ 3.84Å; L66-F92 HydrophobicContact CG-CE2 4.33Å; L66-F92 HydrophobicContact CG-CZ 3.96Å; V88-F92 HydrophobicContact CG1-CD2 3.38Å; V88-F92 HydrophobicContact CG1-CE2 3.28Å; V88-F92 WeakPolarHBondContact O-CD2 3.44Å; V88-F92 PolarHBondContact O-N 3.03Å; F89-F92 CarbonylContact O-C 3.47Å; F89-F92 WeakPolarHBondContact O-CA 2.96Å; F89-F92 PolarHBondContact O-N 3.25Å; T90-F92 VanDerWaalsContact C-N 3.32Å; T90-F92 PolarHBondContact O-N 3.4Å; F92-L95 HydrophobicContact CD1-CB 4.38Å; F92-L95 HydrophobicContact CD1-CD1 3.47Å; F92-L95 VanDerWaalsContact CD1-CD1 3.47Å; F92-L95 HydrophobicContact CD1-CG 4.43Å; F92-L95 HydrophobicContact CE1-CD1 3.69Å; F92-L95 WeakPolarHBondContact O-CA 3.26Å; F92-L95 WeakPolarHBondContact O-CB 3.43Å; F92-L95 PolarHBondContact O-N 3.12Å; F92-L96 HydrophobicContact CB-CD1 4.4Å; F92-L96 WeakPolarHBondContact O-CG 3.48Å; F92-L96 PolarHBondContact O-N 3.25Å
93R87.5Confident81.8Confident35 Ų3562.5 Ų62.513%0.13234%0.342CS..THydrogen-bonded Turntrans-45.4-50.2175.8-63.1-177.198.594.919.9114.2F89 T90 L95 L96 G97 L98 P99F89-R93 WeakPolarHBondContact O-CG 3.46Å; F89-R93 PolarHBondContact O-N 3.37Å; T90-R93 WeakPolarHBondContact O-CB 3.49Å; T90-R93 WeakPolarHBondContact O-CG 3.47Å; T90-R93 PolarHBondContact O-N 3.31Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.87Å; R93-L96 CarbonylContact O-C 3.53Å; R93-L96 PolarHBondContact O-N 3.1Å; R93-L96 VanDerWaalsContact O-N 3.16Å; R93-G97 PolarHBondContact O-N 2.69Å; R93-G97 VanDerWaalsContact O-N 3.09Å; R93-L98 HydrophobicContact CB-CB 4.21Å; R93-L98 PolarHBondContact O-N 3.35Å; R93-P99 PolarHBondContact NE-O 3.28Å
94P85.9Confident79.6Confident76 Ų7665 Ų6549%0.49436%0.358SS..THydrogen-bonded Turntrans-60.8-36.2177.222.2-35.5000113.1F65 S91 G97F65-P94 HydrophobicContact CD1-CG 4.21Å; F65-P94 HydrophobicContact CE1-CG 3.66Å; S91-P94 VanDerWaalsContact O-CD 3.3Å; S91-P94 WeakPolarHBondContact O-CD 3.15Å; S91-P94 WeakPolarHBondContact O-CG 3.16Å; P94-G97 PolarHBondContact O-N 3.2Å
95L84.1Confident77.5Confident65 Ų6570.2 Ų70.234%0.3440%0.395SS..THydrogen-bonded Turntrans-70.2-33.4176.5-74.9178.1000112.3F65 F92 R93 G97F65-L95 HydrophobicContact CD2-CD1 3.31Å; F65-L95 HydrophobicContact CD2-CG 4.01Å; F65-L95 HydrophobicContact CE1-CG 4.21Å; F65-L95 HydrophobicContact CE2-CD1 3.26Å; F65-L95 HydrophobicContact CE2-CD2 3.76Å; F65-L95 HydrophobicContact CE2-CG 3.51Å; F65-L95 HydrophobicContact CG-CD1 4Å; F65-L95 HydrophobicContact CZ-CD1 3.88Å; F65-L95 HydrophobicContact CZ-CD2 3.87Å; F65-L95 HydrophobicContact CZ-CG 3.6Å; F92-L95 HydrophobicContact CD1-CB 4.38Å; F92-L95 HydrophobicContact CD1-CD1 3.47Å; F92-L95 VanDerWaalsContact CD1-CD1 3.47Å; F92-L95 HydrophobicContact CD1-CG 4.43Å; F92-L95 HydrophobicContact CE1-CD1 3.69Å; F92-L95 WeakPolarHBondContact O-CA 3.26Å; F92-L95 WeakPolarHBondContact O-CB 3.43Å; F92-L95 PolarHBondContact O-N 3.12Å; R93-L95 VanDerWaalsContact C-N 3.3Å; R93-L95 PolarHBondContact O-N 2.87Å; L95-G97 PolarHBondContact O-N 3.02Å
96L83.4Confident75.1Confident34 Ų3479 Ų7918%0.17843%0.433CS..THydrogen-bonded Turntrans-80.2-2.5175.6-62.3173.7000112.9P18 F19 A36 V40 F89 F92 R93 L98P18-L96 HydrophobicContact CG-CD1 3.76Å; F19-L96 HydrophobicContact CE2-CD1 4.01Å; F19-L96 HydrophobicContact CZ-CD1 4.35Å; A36-L96 HydrophobicContact CB-CD2 4.44Å; V40-L96 HydrophobicContact CG2-CD2 4.37Å; F89-L96 HydrophobicContact CD2-CD1 4.39Å; F89-L96 HydrophobicContact CE2-CD1 4.13Å; F92-L96 HydrophobicContact CB-CD1 4.4Å; F92-L96 WeakPolarHBondContact O-CG 3.48Å; F92-L96 PolarHBondContact O-N 3.25Å; R93-L96 CarbonylContact O-C 3.53Å; R93-L96 PolarHBondContact O-N 3.1Å; R93-L96 VanDerWaalsContact O-N 3.16Å; L96-L98 HydrophobicContact CB-CD1 4.08Å; L96-L98 HydrophobicContact CB-CG 3.95Å; L96-L98 HydrophobicContact CD1-CD1 4.19Å; L96-L98 PolarHBondContact O-N 3.42Å
97G81.3Confident73Confident66 Ų6683.9 Ų83.968%0.6846%0.456SS*.THydrogen-bonded Turntrans66.221.5-176.300000113.6R93 P94 L95R93-G97 PolarHBondContact O-N 2.69Å; R93-G97 VanDerWaalsContact O-N 3.09Å; P94-G97 PolarHBondContact O-N 3.2Å; L95-G97 PolarHBondContact O-N 3.02Å
98L79.3Confident70.9Confident66 Ų6687.5 Ų87.535%0.34647%0.473SS..  trans-83.1144.3177.3-63.4176.6000109.9F89 R93 L96 D100F89-L98 HydrophobicContact CE2-CD1 4.1Å; F89-L98 HydrophobicContact CZ-CD1 3.92Å; R93-L98 HydrophobicContact CB-CB 4.21Å; R93-L98 PolarHBondContact O-N 3.35Å; L96-L98 HydrophobicContact CB-CD1 4.08Å; L96-L98 HydrophobicContact CB-CG 3.95Å; L96-L98 HydrophobicContact CD1-CD1 4.19Å; L96-L98 PolarHBondContact O-N 3.42Å; L98-D100 PolarHBondContact O-N 3Å
99P74.4Confident68.7Low95 Ų9597.6 Ų97.662%0.61751%0.513SS*.  trans-59.5141.2172.425.9-33000109.9R93 I101R93-P99 PolarHBondContact NE-O 3.28Å; P99-I101 PolarHBondContact O-N 2.98Å
100D64.6Low66.7Low109 Ų109105.9 Ų105.958%0.58355%0.552SS**  trans-65.6107.1171.1-155.9-82.8000107.3L98 E102L98-D100 PolarHBondContact O-N 3Å; D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.32Å; D100-E102 WeakPolarHBondContact OD1-CG 3.48Å
101I62.1Low64.7Low104 Ų104106.3 Ų106.353%0.53356%0.561SS.*  trans-90.179.8173.1-49.1-177.4000104.3P99 D103P99-I101 PolarHBondContact O-N 2.98Å; I101-D103 PolarHBondContact O-N 3.26Å; I101-D103 VanDerWaalsContact O-N 3.13Å
102E54.8Low62.7Low170 Ų170112.4 Ų112.479%0.79459%0.593SS**  trans-55.9119.5160.6-66.8-169.885.500106.6D100 D104D100-E102 VanDerWaalsContact C-N 3.25Å; D100-E102 PolarHBondContact O-N 3.32Å; D100-E102 WeakPolarHBondContact OD1-CG 3.48Å; E102-D104 PolarHBondContact O-N 3.45Å
103D50.1Low61Low160 Ų160121.4 Ų121.486%0.85664%0.637SS**SBendtrans-56.894.3176.6-171.4-119.2000110.1I101I101-D103 PolarHBondContact O-N 3.26Å; I101-D103 VanDerWaalsContact O-N 3.13Å
104D45Very low59.5Low125 Ų125128 Ų12867%0.66867%0.67SS**  trans-156.270.9136.1-145.1-64.3000110.6E102 F106E102-D104 PolarHBondContact O-N 3.45Å; D104-F106 VanDerWaalsContact C-N 3.28Å; D104-F106 PolarHBondContact OD1-N 3.28Å
105S47.6Very low57.3Low109 Ų109127.6 Ų127.676%0.76268%0.679SS**  trans-93.562.2151.5172.30000107.7
106F44.1Very low55.6Low184 Ų184133 Ų13381%0.80770%0.703SS**  trans-111.714.6167.2-164.2-102.1000113.8D104D104-F106 VanDerWaalsContact C-N 3.28Å; D104-F106 PolarHBondContact OD1-N 3.28Å
107E47.7Very low54Low192 Ų192137.2 Ų137.290%0.89773%0.732SS**SBendtrans-120.832.7176.1-73.8-128.493.100114.4
108H45.5Very low52.1Low158 Ų158136.9 Ų136.973%0.73173%0.728SS**SBendtrans-133.673.8169.1-146.4145.2000110
109Y46.9Very low50.6Low212 Ų212139.7 Ų139.783%0.83175%0.753SS**  trans176.276137.9-102.7-78000110.8
110H49.1Very low49.2Very low193 Ų193142 Ų14289%0.89476%0.76SS**SBendtrans-137.875.4141.3-152.7-125000106.3
111A46.8Very low48.8Very low68 Ų68144.8 Ų144.856%0.56277%0.769SS**  69.791.3103.500000112.2
112D48.7Very low48.3Very low140 Ų140147.8 Ų147.875%0.74978%0.781SS**  trans31.596.8133.8-137.5-84.3000116.9
113M52.7Low48.1Very low188 Ų188147.7 Ų147.793%0.92678%0.781SS**  trans-13078148.3-157.5-178.5-157.200107.3G115M113-G115 PolarHBondContact O-N 2.95Å
114E56Low48.2Very low175 Ų175149 Ų14982%0.81878%0.784SS**  trans-53.3127.8158.8-73.2-164.781.200109.3
115G40.1Very low48.5Very low66 Ų66146.8 Ų146.868%0.6879%0.791SS**  trans-178.149.7-179.300000114.2M113M113-G115 PolarHBondContact O-N 2.95Å
116E48.3Very low49Very low180 Ų180148.5 Ų148.584%0.84180%0.797SS**  trans-69.9137.5155.1-73.4-70.6114.400107.9
117P48.9Very low49.5Very low122 Ų122145.5 Ų145.579%0.79280%0.798SS**  -147.5134.390.634.5-15.9000114.9
118G42.3Very low49.8Very low58 Ų58145.2 Ų145.260%0.59880%0.797SS**  72.1120.2111.500000119.7
119S46.8Very low50.4Low125 Ų125150.2 Ų150.287%0.87482%0.821SS**  trans76.8113.7153.7-50.50000117.5
120D45.1Very low50.5Low143 Ų143147.2 Ų147.277%0.76582%0.82SS**  -164.4140.687-164.2-146.5000111.4
121H57Low50.6Low168 Ų168144.7 Ų144.778%0.77882%0.816SS**  trans-62.6150.3169.1-99.586.6000110.4
122Q50.1Low50.8Low167 Ų167149 Ų14978%0.7883%0.83SS**  trans140.8141.3139.2-77.1162.56.700110.7
123Q51.5Low50.9Low169 Ų169149.5 Ų149.579%0.7984%0.835SS**  cis-175.3130.7-13.9170.9171.5-31.500104.4
124M53.1Low50.8Low186 Ų186147.1 Ų147.192%0.91683%0.83SS**  trans3.6131.9154.1-63.6-89.2-83.700118.4
125G50.1Low50.5Low79 Ų79145.3 Ų145.381%0.81483%0.83SS**  trans169.795.515900000115.8
126V58.5Low51.2Low146 Ų146150.9 Ų150.989%0.88584%0.841SS**  trans-62.7143.1163.4-58.40000110.6
127S54Low51.5Low120 Ų120148.7 Ų148.784%0.83984%0.841SS**  trans-168.1126.8135.8-148.50000111.3
128Q54.3Low51.7Low187 Ų187150.9 Ų150.987%0.87485%0.845SS**  trans-74.7148.6163.4-67.8-156.785.100110
129Q57.2Low52.5Low263 Ų263159.4 Ų159.4100%1.22987%0.868SS**  trans-148.70146.9-163112.44600109.5

Retrieved 129 of 129 residues in 116.3 ms (Link to these results)

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