A0A087XL83_POEFO Loading...

Oxysterol-binding protein

Interacts with OSBPL11 to function as lipid transfer proteins. Together they form a heterodimer that localizes at the ER-trans-Golgi membrane contact sites, and exchanges phosphatidylserine (1,2-diacyl-sn-glycero-3-phospho-L-serine, PS) for phosphatidylinositol-4-phosphate (1,2-diacyl-sn-glycero-3-phospho-(1D-myo-inositol 4-phosphate), PI(4)P) between the two organelles, a step that is critical for sphingomyelin synthesis in the Golgi complex.

AlphaFold DB , UniProt , Accession A0A087XL83, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 739 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
1M35Very low79.1Confident235 Ų23558.1 Ų58.1100%1.15833%0.329SS*.  0167.10-62.9177.5-172.700108.2S3M1-S3 PolarHBondContact O-N 3.33Å; M1-S3 VanDerWaalsContact O-N 3.11Å
2A42Very low79.9Confident86 Ų8657.7 Ų57.771%0.71132%0.319SS*.  trans-67.2110.8-171.900000111.9I4A2-I4 HydrophobicContact CB-CD1 4.34Å; A2-I4 HydrophobicContact CB-CG1 4.12Å; A2-I4 PolarHBondContact O-N 3.3Å
3S60.4Low80.3Confident43 Ų4357.8 Ų57.830%0.30132%0.323SS..  trans-80.762.7177.6-48.20000110.8M1 Y28 N29M1-S3 PolarHBondContact O-N 3.33Å; M1-S3 VanDerWaalsContact O-N 3.11Å; S3-Y28 VanDerWaalsContact O-CD2 3.23Å; S3-Y28 WeakPolarHBondContact O-CD2 3.39Å; S3-Y28 PolarHBondContact O-N 3.16Å; S3-Y28 VanDerWaalsContact O-N 3.13Å; S3-N29 WeakPolarHBondContact CB-ND2 3.22Å; S3-N29 PolarHBondContact OG-ND2 2.86Å
4I80.4Confident80.2Confident85 Ų8559.1 Ų59.144%0.43633%0.328SS..EExtended strand (participates in β ladder)trans-134.5147.217863.9-178.4000111.4A2 V25 L26A2-I4 HydrophobicContact CB-CD1 4.34Å; A2-I4 HydrophobicContact CB-CG1 4.12Å; A2-I4 PolarHBondContact O-N 3.3Å; I4-V25 HydrophobicContact CB-CG1 4.35Å; I4-L26 CarbonylContact C-O 3.52Å; I4-L26 WeakPolarHBondContact CA-O 3.31Å; I4-L26 WeakPolarHBondContact CB-O 3.4Å
5M92.6Very high79.4Confident39 Ų3964.4 Ų64.419%0.19236%0.362CS..EExtended strand (participates in β ladder)trans-112.3134.9162.7172.8-179.8-178.500108.3V25 L26 Y28 K89 W90 A93M5-V25 CarbonylContact O-C 3.57Å; M5-V25 WeakPolarHBondContact O-CA 3.35Å; M5-L26 HydrophobicContact CB-CB 4.28Å; M5-L26 PolarHBondContact N-O 2.87Å; M5-L26 PolarHBondContact O-N 2.77Å; M5-Y28 HydrophobicContact CB-CE2 4.47Å; M5-K89 HydrophobicContact CE-CB 4.4Å; M5-W90 HydrophobicContact CE-CB 4.48Å; M5-W90 HydrophobicContact CE-CD2 3.53Å; M5-W90 HydrophobicContact CE-CE3 3.87Å; M5-W90 HydrophobicContact CE-CG 3.8Å; M5-W90 HydrophobicContact CE-CZ2 4.26Å; M5-W90 HydrophobicContact CE-CZ3 4.34Å; M5-W90 HydrophobicContact CG-CH2 4.31Å; M5-W90 HydrophobicContact CG-CZ3 4.19Å; M5-W90 HydrophobicContact SD-CD2 4.18Å; M5-W90 HydrophobicContact SD-CE3 3.88Å; M5-W90 HydrophobicContact SD-CZ3 4.12Å; M5-A93 HydrophobicContact SD-CB 3.43Å; M5-A93 WeakPolarHBondContact SD-CB 3.34Å
6E93.8Very high78.9Confident76 Ų7671.6 Ų71.636%0.35540%0.395SS..EExtended strand (participates in β ladder)trans-130.7151.7172.962148.8-154.700112W23 F24 V25 K39 M42E6-W23 HydrophobicContact CB-CZ2 4.29Å; E6-W23 HydrophobicContact CG-CZ2 4.13Å; E6-W23 PolarHBondContact OE2-NE1 3.13Å; E6-F24 VanDerWaalsContact CA-O 3.23Å; E6-F24 WeakPolarHBondContact CA-O 3.36Å; E6-F24 WeakPolarHBondContact CB-O 3.43Å; E6-V25 HydrophobicContact CB-CG2 4.16Å; E6-K39 WeakPolarHBondContact OE1-CE 3.12Å; E6-K39 IonicContact OE1-NZ 3.31Å; E6-K39 PolarHBondContact OE1-NZ 2.62Å; E6-K39 IonicContact OE2-NZ 2.66Å; E6-M42 VanDerWaalsContact OE2-CE 3.27Å; E6-M42 WeakPolarHBondContact OE2-CE 3.41Å
7G93Very high78.8Confident5 Ų575.6 Ų75.65%0.05241%0.407CS..EExtended strand (participates in β ladder)trans173.7-179.2-179.700000113.7F24G7-F24 PolarHBondContact N-O 2.97Å; G7-F24 VanDerWaalsContact N-O 3.11Å; G7-F24 PolarHBondContact O-N 3.26Å
8P92.8Very high79.2Confident15 Ų1572.3 Ų72.310%0.09739%0.394CS..EExtended strand (participates in β ladder)trans-82.6144.5173.734.9-33.1000111.7Y21 W23 W90P8-Y21 HydrophobicContact CB-CD2 4.49Å; P8-Y21 HydrophobicContact CB-CE2 3.52Å; P8-Y21 WeakPolarHBondContact CB-OH 3.17Å; P8-W23 HydrophobicContact CB-CZ3 4.39Å; P8-W90 PolarHBondContact O-NE1 2.81Å
9L93.9Very high79.8Confident2 Ų272 Ų721%0.0139%0.387CS..EExtended strand (participates in β ladder)trans-144.1146.6156.7-70.2169.5000108.9R22 F24 F68 F79 A81 W90L9-R22 PolarHBondContact N-O 3.45Å; L9-R22 VanDerWaalsContact N-O 3.1Å; L9-R22 PolarHBondContact O-N 3.35Å; L9-R22 VanDerWaalsContact O-O 3.14Å; L9-F24 HydrophobicContact CB-CD2 3.61Å; L9-F24 HydrophobicContact CB-CE2 3.64Å; L9-F24 HydrophobicContact CD1-CD2 4.09Å; L9-F24 HydrophobicContact CD1-CE2 4.35Å; L9-F24 HydrophobicContact CD1-CG 4.25Å; L9-F24 HydrophobicContact CG-CD2 4.19Å; L9-F68 HydrophobicContact CD1-CE1 4.26Å; L9-F68 HydrophobicContact CD1-CZ 3.74Å; L9-F68 HydrophobicContact CD2-CE1 3.92Å; L9-F68 HydrophobicContact CD2-CZ 4.24Å; L9-F79 HydrophobicContact CD1-CB 4.35Å; L9-F79 HydrophobicContact CD1-CD1 4.13Å; L9-F79 HydrophobicContact CD1-CG 4.46Å; L9-A81 HydrophobicContact CD2-CB 4.13Å; L9-W90 HydrophobicContact CD1-CD2 3.91Å; L9-W90 HydrophobicContact CD1-CE3 4.37Å; L9-W90 HydrophobicContact CD1-CG 4.17Å; L9-W90 HydrophobicContact CD1-CZ2 4.31Å; L9-W90 HydrophobicContact CD2-CG 4.11Å; L9-W90 HydrophobicContact CG-CD2 4.28Å; L9-W90 HydrophobicContact CG-CG 4.39Å; L9-W90 HydrophobicContact CG-CZ2 4.26Å
10S93.3Very high80.4Confident31 Ų3171.5 Ų71.522%0.21738%0.382CS..EExtended strand (participates in β ladder)trans-76.3122.7161.3-92.10000108.7W19 F79 Q80S10-W19 WeakPolarHBondContact O-CZ3 3.42Å; S10-F79 CarbonylContact O-C 3.59Å; S10-F79 VanDerWaalsContact O-CA 3.31Å; S10-F79 WeakPolarHBondContact O-CA 3.41Å; S10-Q80 PolarHBondContact N-O 3.43Å; S10-Q80 PolarHBondContact O-N 3.29Å
11K92.9Very high80.9Confident22 Ų2274.2 Ų74.210%0.09639%0.388CS..EExtended strand (participates in β ladder)trans-108.8132.1175.1-166.1-154.1171.9-57.30109.8Q20 R22 F24 Y35 F79K11-Q20 PolarHBondContact N-O 3.16Å; K11-Q20 WeakPolarHBondContact O-CB 3.34Å; K11-Q20 PolarHBondContact O-N 3.36Å; K11-R22 HydrophobicContact CB-CG 4.28Å; K11-F24 HydrophobicContact CB-CE2 4.18Å; K11-F24 HydrophobicContact CB-CZ 3.93Å; K11-F24 HydrophobicContact CD-CZ 4.26Å; K11-F24 HydrophobicContact CG-CZ 4.09Å; K11-Y35 HydrophobicContact CD-CE2 4.46Å; K11-F79 HydrophobicContact CB-CD1 4.48Å; K11-F79 HydrophobicContact CG-CD1 4.11Å; K11-F79 HydrophobicContact CG-CE1 3.95Å
12W88.8Confident83.8Confident53 Ų5365 Ų6520%0.20134%0.34CS..EExtended strand (participates in β ladder)trans-65.8147.1170.9-169.1-107.8000111.3G18 W19 H78 Y601W12-G18 VanDerWaalsContact CZ3-C 3.47Å; W12-W19 HydrophobicContact CB-CE3 4.11Å; W12-W19 HydrophobicContact CB-CZ3 4.11Å; W12-W19 HydrophobicContact CE3-CB 4.46Å; W12-W19 AromaticContact CE3-CD2 3.88Å; W12-W19 HydrophobicContact CE3-CD2 3.88Å; W12-W19 HydrophobicContact CE3-CE3 4.35Å; W12-W19 AromaticContact CE3-CG 3.89Å; W12-W19 HydrophobicContact CE3-CG 3.89Å; W12-W19 HydrophobicContact CZ3-CG 4.19Å; W12-H78 HydrophobicContact CB-CB 3.96Å; W12-H78 PolarHBondContact N-O 2.99Å; W12-H78 VanDerWaalsContact N-O 3.08Å; W12-Y601 HydrophobicContact CB-CE1 4.19Å; W12-Y601 WeakPolarHBondContact CB-OH 3.48Å; W12-Y601 AromaticContact CD1-CE1 3.74Å; W12-Y601 AromaticContact CD2-CD1 3.78Å; W12-Y601 HydrophobicContact CD2-CD1 3.78Å; W12-Y601 AromaticContact CD2-CE1 3.16Å; W12-Y601 HydrophobicContact CD2-CE1 3.16Å; W12-Y601 HydrophobicContact CD2-CE2 4.2Å; W12-Y601 AromaticContact CD2-CZ 3.41Å; W12-Y601 VanDerWaalsContact CD2-CZ 3.41Å; W12-Y601 AromaticContact CE2-CD1 3.45Å; W12-Y601 VanDerWaalsContact CE2-CD1 3.45Å; W12-Y601 AromaticContact CE2-CE1 3.32Å; W12-Y601 HydrophobicContact CE3-CD1 4.04Å; W12-Y601 HydrophobicContact CE3-CD2 4.17Å; W12-Y601 AromaticContact CE3-CE1 3.49Å; W12-Y601 HydrophobicContact CE3-CE1 3.49Å; W12-Y601 VanDerWaalsContact CE3-CE1 3.49Å; W12-Y601 AromaticContact CE3-CE2 3.61Å; W12-Y601 HydrophobicContact CE3-CE2 3.61Å; W12-Y601 HydrophobicContact CE3-CG 4.37Å; W12-Y601 AromaticContact CE3-CZ 3.24Å; W12-Y601 HydrophobicContact CG-CD1 4.4Å; W12-Y601 AromaticContact CG-CE1 3.48Å; W12-Y601 HydrophobicContact CG-CE1 3.48Å; W12-Y601 VanDerWaalsContact CG-CE1 3.48Å; W12-Y601 AromaticContact CG-CZ 3.81Å; W12-Y601 AromaticContact CH2-CD1 3.72Å; W12-Y601 HydrophobicContact CH2-CD1 3.72Å; W12-Y601 AromaticContact CH2-CD2 3.93Å; W12-Y601 HydrophobicContact CH2-CD2 3.93Å; W12-Y601 HydrophobicContact CH2-CE1 4.06Å; W12-Y601 HydrophobicContact CH2-CE2 4.23Å; W12-Y601 AromaticContact CH2-CG 3.67Å; W12-Y601 HydrophobicContact CH2-CG 3.67Å; W12-Y601 AromaticContact CZ2-CD1 3.44Å; W12-Y601 HydrophobicContact CZ2-CD1 3.44Å; W12-Y601 VanDerWaalsContact CZ2-CD1 3.44Å; W12-Y601 HydrophobicContact CZ2-CD2 4.5Å; W12-Y601 AromaticContact CZ2-CE1 3.8Å; W12-Y601 HydrophobicContact CZ2-CE1 3.8Å; W12-Y601 AromaticContact CZ2-CG 3.86Å; W12-Y601 HydrophobicContact CZ2-CG 3.86Å; W12-Y601 AromaticContact CZ3-CD1 4Å; W12-Y601 HydrophobicContact CZ3-CD1 4Å; W12-Y601 AromaticContact CZ3-CD2 3.74Å; W12-Y601 HydrophobicContact CZ3-CD2 3.74Å; W12-Y601 AromaticContact CZ3-CE1 3.91Å; W12-Y601 HydrophobicContact CZ3-CE1 3.91Å; W12-Y601 AromaticContact CZ3-CE2 3.62Å; W12-Y601 HydrophobicContact CZ3-CE2 3.62Å; W12-Y601 AromaticContact CZ3-CG 3.94Å; W12-Y601 HydrophobicContact CZ3-CG 3.94Å; W12-Y601 AromaticContact CZ3-CZ 3.71Å; W12-Y601 AromaticContact NE1-CD1 3.89Å; W12-Y601 AromaticContact NE1-CE1 3.65Å
13T85.4Confident86.3Confident60 Ų6062.5 Ų62.537%0.36831%0.312SS..  trans-123.4-60.7179.6520000113.7K17 G18 Q20T13-K17 WeakPolarHBondContact OG1-CB 3.35Å; T13-G18 PolarHBondContact N-O 3.44Å; T13-G18 PolarHBondContact OG1-O 3.01Å; T13-Q20 HydrophobicContact CG2-CB 3.86Å; T13-Q20 HydrophobicContact CG2-CG 3.68Å; T13-Q20 WeakPolarHBondContact OG1-CG 3.46Å
14N78Confident88Confident75 Ų7560.4 Ų60.440%0.40130%0.298SS..  trans-167.4173.4169.261.123.3000109.9M16 K17 G18N14-M16 PolarHBondContact O-N 2.7Å; N14-M16 VanDerWaalsContact O-N 3.11Å; N14-M16 PolarHBondContact OD1-N 2.76Å; N14-K17 PolarHBondContact O-N 2.81Å; N14-K17 WeakPolarHBondContact OD1-CB 3.45Å; N14-K17 PolarHBondContact OD1-N 3.1Å; N14-G18 WeakPolarHBondContact O-CA 3.38Å; N14-G18 PolarHBondContact O-N 3.18Å
15V68.6Low88.7Confident139 Ų13957.2 Ų57.284%0.84228%0.282SS*.THydrogen-bonded Turntrans-55-30.4-179.2-175.20000113.4
16M71.6Confident88.8Confident179 Ų17955.4 Ų55.488%0.88227%0.273SS*.THydrogen-bonded Turntrans-81.3-21.4179.8-68.4175.8170.800114.7N14N14-M16 PolarHBondContact O-N 2.7Å; N14-M16 VanDerWaalsContact O-N 3.11Å; N14-M16 PolarHBondContact OD1-N 2.76Å
17K76.4Confident88.7Confident140 Ų14054.3 Ų54.361%0.60927%0.27SS*.THydrogen-bonded Turntrans-122.7-8.9-173.8-67-174.9178.7-1780114T13 N14 Q20T13-K17 WeakPolarHBondContact OG1-CB 3.35Å; N14-K17 PolarHBondContact O-N 2.81Å; N14-K17 WeakPolarHBondContact OD1-CB 3.45Å; N14-K17 PolarHBondContact OD1-N 3.1Å; K17-Q20 PolarHBondContact O-NE2 2.87Å
18G86.6Confident88.4Confident16 Ų1657 Ų5717%0.16528%0.279CS..  trans56.9-147.2174.100000114.6W12 T13 N14W12-G18 VanDerWaalsContact CZ3-C 3.47Å; T13-G18 PolarHBondContact N-O 3.44Å; T13-G18 PolarHBondContact OG1-O 3.01Å; N14-G18 WeakPolarHBondContact O-CA 3.38Å; N14-G18 PolarHBondContact O-N 3.18Å
19W89.9Confident88.1Confident67 Ų6761 Ų6125%0.25430%0.299SS..EExtended strand (participates in β ladder)trans-62.3138.2165.2-72.2122.2000110.3S10 W12 T67 H78 Q80 Y601S10-W19 WeakPolarHBondContact O-CZ3 3.42Å; W12-W19 HydrophobicContact CB-CE3 4.11Å; W12-W19 HydrophobicContact CB-CZ3 4.11Å; W12-W19 HydrophobicContact CE3-CB 4.46Å; W12-W19 AromaticContact CE3-CD2 3.88Å; W12-W19 HydrophobicContact CE3-CD2 3.88Å; W12-W19 HydrophobicContact CE3-CE3 4.35Å; W12-W19 AromaticContact CE3-CG 3.89Å; W12-W19 HydrophobicContact CE3-CG 3.89Å; W12-W19 HydrophobicContact CZ3-CG 4.19Å; W19-T67 HydrophobicContact CH2-CG2 4.08Å; W19-T67 HydrophobicContact CZ2-CG2 3.84Å; W19-H78 HydrophobicContact CH2-CB 4.15Å; W19-H78 HydrophobicContact CZ3-CB 4.35Å; W19-Q80 HydrophobicContact CD2-CB 4.39Å; W19-Q80 HydrophobicContact CE3-CB 4.16Å; W19-Q80 HydrophobicContact CH2-CB 3.65Å; W19-Q80 HydrophobicContact CZ2-CB 3.88Å; W19-Q80 HydrophobicContact CZ3-CB 3.81Å; W19-Y601 AromaticContact CE2-CE2 3.65Å; W19-Y601 AromaticContact CE2-CZ 3.94Å; W19-Y601 WeakPolarHBondContact CH2-OH 3.36Å; W19-Y601 AromaticContact CZ2-CE2 3.65Å; W19-Y601 HydrophobicContact CZ2-CE2 3.65Å; W19-Y601 AromaticContact CZ2-CZ 3.74Å; W19-Y601 WeakPolarHBondContact CZ2-OH 3.41Å; W19-Y601 AromaticContact NE1-CE2 3.65Å
20Q92.1Very high87.7Confident62 Ų6263.2 Ų63.229%0.2932%0.318SS..EExtended strand (participates in β ladder)trans-139.2114.7-176.9-75.3-74.2-59.600109.6K11 T13 K17 R22K11-Q20 PolarHBondContact N-O 3.16Å; K11-Q20 WeakPolarHBondContact O-CB 3.34Å; K11-Q20 PolarHBondContact O-N 3.36Å; T13-Q20 HydrophobicContact CG2-CB 3.86Å; T13-Q20 HydrophobicContact CG2-CG 3.68Å; T13-Q20 WeakPolarHBondContact OG1-CG 3.46Å; K17-Q20 PolarHBondContact O-NE2 2.87Å; Q20-R22 PolarHBondContact O-N 3.08Å
21Y92.4Very high87.5Confident129 Ų12961.9 Ų61.951%0.50631%0.309SS..EExtended strand (participates in β ladder)trans-56.9128.5174.4-171.5-96000111.2P8P8-Y21 HydrophobicContact CB-CD2 4.49Å; P8-Y21 HydrophobicContact CB-CE2 3.52Å; P8-Y21 WeakPolarHBondContact CB-OH 3.17Å
22R94.9Very high87.5Confident41 Ų4162.7 Ų62.716%0.15531%0.314CS..EExtended strand (participates in β ladder)trans-137.3152176.9-61.9-62.7173-109.51109.4L9 K11 Q20 F24 Y35 Y36L9-R22 PolarHBondContact N-O 3.45Å; L9-R22 VanDerWaalsContact N-O 3.1Å; L9-R22 PolarHBondContact O-N 3.35Å; L9-R22 VanDerWaalsContact O-O 3.14Å; K11-R22 HydrophobicContact CB-CG 4.28Å; Q20-R22 PolarHBondContact O-N 3.08Å; R22-F24 HydrophobicContact CB-CD2 4.08Å; R22-F24 HydrophobicContact CB-CE2 3.62Å; R22-F24 HydrophobicContact CB-CZ 4.34Å; R22-Y35 HydrophobicContact CG-CD2 4.39Å; R22-Y36 WeakPolarHBondContact CA-O 3.35Å; R22-Y36 WeakPolarHBondContact CB-O 3.27Å; R22-Y36 VanDerWaalsContact CD-O 3.31Å; R22-Y36 WeakPolarHBondContact CD-O 3.28Å
23W95Very high87.8Confident33 Ų3360.2 Ų60.213%0.12531%0.305CS..EExtended strand (participates in β ladder)trans-88.6129.6166.8-163.5-96.7000108.3E6 P8 Y35 Y36 K39 M42E6-W23 HydrophobicContact CB-CZ2 4.29Å; E6-W23 HydrophobicContact CG-CZ2 4.13Å; E6-W23 PolarHBondContact OE2-NE1 3.13Å; P8-W23 HydrophobicContact CB-CZ3 4.39Å; W23-Y35 CarbonylContact O-C 3.58Å; W23-Y35 WeakPolarHBondContact O-CA 3.05Å; W23-Y36 PolarHBondContact N-O 3.43Å; W23-Y36 PolarHBondContact O-N 2.9Å; W23-K39 HydrophobicContact CD2-CB 3.83Å; W23-K39 HydrophobicContact CD2-CD 4.14Å; W23-K39 HydrophobicContact CD2-CG 3.98Å; W23-K39 HydrophobicContact CE3-CB 4.09Å; W23-K39 HydrophobicContact CE3-CD 4.39Å; W23-K39 HydrophobicContact CG-CB 4.04Å; W23-K39 HydrophobicContact CG-CG 4.3Å; W23-K39 HydrophobicContact CH2-CD 3.89Å; W23-K39 HydrophobicContact CZ2-CD 3.59Å; W23-K39 VanDerWaalsContact CZ2-CE 3.49Å; W23-K39 HydrophobicContact CZ2-CG 4.24Å; W23-K39 VanDerWaalsContact CZ2-NZ 3.28Å; W23-K39 HydrophobicContact CZ3-CD 4.27Å; W23-M42 PolarHBondContact NE1-SD 2.67Å; W23-M42 VanDerWaalsContact NE1-SD 3.39Å
24F95.9Very high88.2Confident0 Ų057.9 Ų57.90%029%0.291CS..EExtended strand (participates in β ladder)trans-112148-178.7-81-93.2000111E6 G7 L9 K11 R22 L33 S34 Y35 F79 W90E6-F24 VanDerWaalsContact CA-O 3.23Å; E6-F24 WeakPolarHBondContact CA-O 3.36Å; E6-F24 WeakPolarHBondContact CB-O 3.43Å; G7-F24 PolarHBondContact N-O 2.97Å; G7-F24 VanDerWaalsContact N-O 3.11Å; G7-F24 PolarHBondContact O-N 3.26Å; L9-F24 HydrophobicContact CB-CD2 3.61Å; L9-F24 HydrophobicContact CB-CE2 3.64Å; L9-F24 HydrophobicContact CD1-CD2 4.09Å; L9-F24 HydrophobicContact CD1-CE2 4.35Å; L9-F24 HydrophobicContact CD1-CG 4.25Å; L9-F24 HydrophobicContact CG-CD2 4.19Å; K11-F24 HydrophobicContact CB-CE2 4.18Å; K11-F24 HydrophobicContact CB-CZ 3.93Å; K11-F24 HydrophobicContact CD-CZ 4.26Å; K11-F24 HydrophobicContact CG-CZ 4.09Å; R22-F24 HydrophobicContact CB-CD2 4.08Å; R22-F24 HydrophobicContact CB-CE2 3.62Å; R22-F24 HydrophobicContact CB-CZ 4.34Å; F24-L33 HydrophobicContact CB-CD1 4.28Å; F24-L33 HydrophobicContact CD1-CD1 3.73Å; F24-L33 HydrophobicContact CD1-CD2 4.06Å; F24-L33 HydrophobicContact CD1-CG 3.76Å; F24-L33 HydrophobicContact CE1-CD2 4.14Å; F24-L33 HydrophobicContact CE1-CG 4.19Å; F24-L33 HydrophobicContact CG-CD1 4.45Å; F24-S34 WeakPolarHBondContact CA-O 3.26Å; F24-Y35 VanDerWaalsContact CE1-CB 3.42Å; F24-Y35 HydrophobicContact CE1-CD1 4.12Å; F24-Y35 HydrophobicContact CE1-CG 4.03Å; F24-Y35 HydrophobicContact CZ-CG 4.25Å; F24-F79 HydrophobicContact CE1-CD1 4.18Å; F24-F79 AromaticContact CE1-CE1 3.57Å; F24-F79 HydrophobicContact CE1-CE1 3.57Å; F24-F79 HydrophobicContact CE2-CD1 4.39Å; F24-F79 AromaticContact CZ-CD1 3.78Å; F24-F79 HydrophobicContact CZ-CD1 3.78Å; F24-F79 AromaticContact CZ-CE1 3.5Å; F24-F79 HydrophobicContact CZ-CE1 3.5Å; F24-F79 VanDerWaalsContact CZ-CE1 3.5Å; F24-W90 HydrophobicContact CB-CH2 3.51Å; F24-W90 HydrophobicContact CB-CZ2 3.93Å; F24-W90 HydrophobicContact CB-CZ3 4.27Å
25V94.8Very high89Confident18 Ų1856.5 Ų56.511%0.10928%0.281CS..EExtended strand (participates in β ladder)trans-135.2115.7171.9-173.30000108I4 M5 E6 S34 Y36 M42I4-V25 HydrophobicContact CB-CG1 4.35Å; M5-V25 CarbonylContact O-C 3.57Å; M5-V25 WeakPolarHBondContact O-CA 3.35Å; E6-V25 HydrophobicContact CB-CG2 4.16Å; V25-S34 PolarHBondContact N-O 2.94Å; V25-S34 PolarHBondContact O-N 3.18Å; V25-Y36 HydrophobicContact CB-CE2 4.3Å; V25-Y36 HydrophobicContact CG2-CD2 4.28Å; V25-Y36 HydrophobicContact CG2-CE2 3.78Å; V25-M42 HydrophobicContact CG2-CG 3.76Å; V25-M42 HydrophobicContact CG2-SD 3.29Å; V25-M42 WeakPolarHBondContact CG2-SD 3.44Å
26L94.4Very high90.2Very high0 Ų051.2 Ų51.20%025%0.246CC..EExtended strand (participates in β ladder)trans-93.1124.7170.9173.959.1000109I4 M5 Y28 L33 L53 W90 A93 L94 T97I4-L26 CarbonylContact C-O 3.52Å; I4-L26 WeakPolarHBondContact CA-O 3.31Å; I4-L26 WeakPolarHBondContact CB-O 3.4Å; M5-L26 HydrophobicContact CB-CB 4.28Å; M5-L26 PolarHBondContact N-O 2.87Å; M5-L26 PolarHBondContact O-N 2.77Å; L26-Y28 HydrophobicContact CD2-CD1 4.34Å; L26-Y28 HydrophobicContact CD2-CE1 3.82Å; L26-Y28 HydrophobicContact CG-CD1 4.42Å; L26-Y28 HydrophobicContact CG-CE1 4.29Å; L26-L33 HydrophobicContact CB-CD1 4.04Å; L26-L53 HydrophobicContact CD1-CD1 3.33Å; L26-W90 HydrophobicContact CB-CZ3 4.09Å; L26-A93 HydrophobicContact CD2-CB 3.77Å; L26-L94 HydrophobicContact CD1-CD2 3.86Å; L26-L94 HydrophobicContact CD2-CD2 3.94Å; L26-L94 HydrophobicContact CD2-CG 4.17Å; L26-L94 HydrophobicContact CG-CD2 4.47Å; L26-T97 HydrophobicContact CD1-CG2 4.07Å
27D92.1Very high91.2Very high53 Ų5345.8 Ų45.828%0.28322%0.223SC..EExtended strand (participates in β ladder)trans-104.1108173.2-173.3-30.7000109.7N29 A30 G31 L32D27-N29 PolarHBondContact O-N 3.14Å; D27-N29 WeakPolarHBondContact OD1-CA 3.37Å; D27-N29 WeakPolarHBondContact OD1-CB 3.28Å; D27-N29 PolarHBondContact OD1-N 2.98Å; D27-A30 HydrophobicContact CB-CB 4.06Å; D27-A30 VanDerWaalsContact CG-CB 3.48Å; D27-A30 PolarHBondContact OD1-N 3.39Å; D27-A30 WeakPolarHBondContact OD2-CB 3.44Å; D27-G31 PolarHBondContact O-N 3.17Å; D27-L32 PolarHBondContact N-O 3.4Å; D27-L32 PolarHBondContact O-N 2.76Å
28Y87.8Confident91.8Very high61 Ų6140.7 Ų40.724%0.23921%0.205CC..THydrogen-bonded Turntrans-64.8-24.5-179.6-61.7-62.8000112.6S3 M5 L26 A93 T97 H101S3-Y28 VanDerWaalsContact O-CD2 3.23Å; S3-Y28 WeakPolarHBondContact O-CD2 3.39Å; S3-Y28 PolarHBondContact O-N 3.16Å; S3-Y28 VanDerWaalsContact O-N 3.13Å; M5-Y28 HydrophobicContact CB-CE2 4.47Å; L26-Y28 HydrophobicContact CD2-CD1 4.34Å; L26-Y28 HydrophobicContact CD2-CE1 3.82Å; L26-Y28 HydrophobicContact CG-CD1 4.42Å; L26-Y28 HydrophobicContact CG-CE1 4.29Å; Y28-A93 HydrophobicContact CE1-CB 3.99Å; Y28-A93 WeakPolarHBondContact OH-CB 3.29Å; Y28-T97 WeakPolarHBondContact CD1-OG1 3.36Å; Y28-H101 PolarHBondContact O-NE2 3.36Å
29N85.2Confident92Very high99 Ų9943.7 Ų43.753%0.52921%0.213SC..THydrogen-bonded Turntrans-94.5-32.7-174.4-64.4-16000111.9S3 D27 H101S3-N29 WeakPolarHBondContact CB-ND2 3.22Å; S3-N29 PolarHBondContact OG-ND2 2.86Å; D27-N29 PolarHBondContact O-N 3.14Å; D27-N29 WeakPolarHBondContact OD1-CA 3.37Å; D27-N29 WeakPolarHBondContact OD1-CB 3.28Å; D27-N29 PolarHBondContact OD1-N 2.98Å; N29-H101 PolarHBondContact O-CE1 2.85Å; N29-H101 PolarHBondContact O-NE2 3.3Å
30A85.9Confident92Very high49 Ų4944.9 Ų44.941%0.40523%0.225SC..THydrogen-bonded Turntrans-91.2-14.1176.500000114.1D27 L32D27-A30 HydrophobicContact CB-CB 4.06Å; D27-A30 VanDerWaalsContact CG-CB 3.48Å; D27-A30 PolarHBondContact OD1-N 3.39Å; D27-A30 WeakPolarHBondContact OD2-CB 3.44Å; A30-L32 HydrophobicContact CB-CB 4.41Å; A30-L32 HydrophobicContact CB-CD1 4.02Å; A30-L32 HydrophobicContact CB-CG 4Å
31G88.6Confident91.9Very high3 Ų345.9 Ų45.93%0.03123%0.228CC..THydrogen-bonded Turntrans69.534.4-177.600000112.4D27 L53 H101D27-G31 PolarHBondContact O-N 3.17Å; G31-L53 WeakPolarHBondContact O-CB 3.19Å; G31-L53 PolarHBondContact O-N 2.81Å; G31-H101 PolarHBondContact N-CE1 2.92Å; G31-H101 VanDerWaalsContact N-CE1 3.29Å; G31-H101 PolarHBondContact N-NE2 2.96Å
32L92.6Very high91.8Very high40 Ų4041.2 Ų41.221%0.20921%0.211CC..EExtended strand (participates in β ladder)trans-124.1126.2-171.8-64.7-179.1000112D27 A30 V51 R52D27-L32 PolarHBondContact N-O 3.4Å; D27-L32 PolarHBondContact O-N 2.76Å; A30-L32 HydrophobicContact CB-CB 4.41Å; A30-L32 HydrophobicContact CB-CD1 4.02Å; A30-L32 HydrophobicContact CB-CG 4Å; L32-V51 WeakPolarHBondContact CA-O 3.4Å; L32-R52 HydrophobicContact CD2-CB 4.45Å; L32-R52 HydrophobicContact CD2-CG 3.7Å
33L94.9Very high91.4Very high0 Ų046 Ų460%024%0.237CC..EExtended strand (participates in β ladder)trans-97.296.4164.4-178.165.5000109.2F24 L26 C50 V51 L53 I70 F79 W90 L94F24-L33 HydrophobicContact CB-CD1 4.28Å; F24-L33 HydrophobicContact CD1-CD1 3.73Å; F24-L33 HydrophobicContact CD1-CD2 4.06Å; F24-L33 HydrophobicContact CD1-CG 3.76Å; F24-L33 HydrophobicContact CE1-CD2 4.14Å; F24-L33 HydrophobicContact CE1-CG 4.19Å; F24-L33 HydrophobicContact CG-CD1 4.45Å; L26-L33 HydrophobicContact CB-CD1 4.04Å; L33-C50 CarbonylContact O-C 3.52Å; L33-C50 VanDerWaalsContact O-CA 3.26Å; L33-C50 WeakPolarHBondContact O-CA 2.95Å; L33-V51 HydrophobicContact CB-CB 4.37Å; L33-V51 PolarHBondContact N-O 3.39Å; L33-V51 PolarHBondContact O-N 2.59Å; L33-L53 HydrophobicContact CB-CD1 4.22Å; L33-L53 HydrophobicContact CB-CD2 4.29Å; L33-L53 HydrophobicContact CB-CG 4.4Å; L33-I70 HydrophobicContact CD2-CD1 3.5Å; L33-I70 VanDerWaalsContact CD2-CD1 3.5Å; L33-F79 HydrophobicContact CD2-CE1 4.33Å; L33-F79 HydrophobicContact CD2-CZ 4.15Å; L33-W90 HydrophobicContact CD1-CZ3 4.01Å; L33-L94 HydrophobicContact CD1-CD2 4.32Å; L33-L94 HydrophobicContact CD2-CD2 4.1Å
34S94.3Very high91.1Very high12 Ų1252.8 Ų52.88%0.08426%0.263CS..EExtended strand (participates in β ladder)trans-87.3147.7176.7-680000111.7F24 V25 R47F24-S34 WeakPolarHBondContact CA-O 3.26Å; V25-S34 PolarHBondContact N-O 2.94Å; V25-S34 PolarHBondContact O-N 3.18Å; S34-R47 WeakPolarHBondContact OG-CD 3.49Å; S34-R47 PolarHBondContact OG-NH1 3.33Å
35Y94.2Very high90.6Very high46 Ų4655.7 Ų55.718%0.1829%0.292CS..EExtended strand (participates in β ladder)trans-137.9152.617870.3-93.9000114.6K11 R22 W23 F24 R48 G49K11-Y35 HydrophobicContact CD-CE2 4.46Å; R22-Y35 HydrophobicContact CG-CD2 4.39Å; W23-Y35 CarbonylContact O-C 3.58Å; W23-Y35 WeakPolarHBondContact O-CA 3.05Å; F24-Y35 VanDerWaalsContact CE1-CB 3.42Å; F24-Y35 HydrophobicContact CE1-CD1 4.12Å; F24-Y35 HydrophobicContact CE1-CG 4.03Å; F24-Y35 HydrophobicContact CZ-CG 4.25Å; Y35-R48 HydrophobicContact CD2-CB 4.12Å; Y35-R48 HydrophobicContact CD2-CG 4.31Å; Y35-R48 HydrophobicContact CE2-CB 4.09Å; Y35-R48 HydrophobicContact CE2-CG 3.86Å; Y35-R48 WeakPolarHBondContact O-CA 3.4Å; Y35-R48 WeakPolarHBondContact O-CB 3.26Å; Y35-R48 PolarHBondContact O-N 3.43Å; Y35-G49 PolarHBondContact N-O 3.37Å; Y35-G49 PolarHBondContact O-N 2.95Å
36Y94.9Very high90.3Very high28 Ų2857.5 Ų57.511%0.1131%0.306CS..EExtended strand (participates in β ladder)trans-138.6154.5-167.3-55.7-99.1000110R22 W23 V25 S38 M42 S46 R47R22-Y36 WeakPolarHBondContact CA-O 3.35Å; R22-Y36 WeakPolarHBondContact CB-O 3.27Å; R22-Y36 VanDerWaalsContact CD-O 3.31Å; R22-Y36 WeakPolarHBondContact CD-O 3.28Å; W23-Y36 PolarHBondContact N-O 3.43Å; W23-Y36 PolarHBondContact O-N 2.9Å; V25-Y36 HydrophobicContact CB-CE2 4.3Å; V25-Y36 HydrophobicContact CG2-CD2 4.28Å; V25-Y36 HydrophobicContact CG2-CE2 3.78Å; Y36-S38 VanDerWaalsContact C-N 3.34Å; Y36-M42 HydrophobicContact CD1-CB 3.74Å; Y36-M42 HydrophobicContact CD1-CG 4.2Å; Y36-M42 HydrophobicContact CD2-CB 3.82Å; Y36-M42 HydrophobicContact CD2-CG 3.84Å; Y36-M42 HydrophobicContact CE1-CB 4.08Å; Y36-M42 HydrophobicContact CE1-CG 4.06Å; Y36-M42 HydrophobicContact CE2-CB 4.21Å; Y36-M42 HydrophobicContact CE2-CG 3.75Å; Y36-M42 HydrophobicContact CG-CB 3.6Å; Y36-M42 HydrophobicContact CG-CG 4.1Å; Y36-S46 WeakPolarHBondContact CD1-O 3.22Å; Y36-R47 VanDerWaalsContact CD1-CA 3.48Å; Y36-R47 HydrophobicContact CD1-CB 4.28Å; Y36-R47 HydrophobicContact CE1-CB 3.63Å; Y36-R47 HydrophobicContact CE1-CG 4.16Å
37T91.9Very high90.1Very high65 Ų6563.7 Ų63.740%0.39933%0.329SS..SBendtrans-76.2-19.7-179.455.50000113.9R48T37-R48 HydrophobicContact CG2-CB 4.36Å; T37-R48 HydrophobicContact CG2-CG 4.17Å
38S90.6Very high90.1Very high32 Ų3269.7 Ų69.722%0.22435%0.348CS..SBendtrans-158.8167.7169.675.80000109.8Y36 D40 K41 M42Y36-S38 VanDerWaalsContact C-N 3.34Å; S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact O-N 2.9Å; S38-D40 PolarHBondContact OG-N 2.82Å; S38-D40 PolarHBondContact OG-OD2 3.21Å; S38-K41 WeakPolarHBondContact O-CB 3.42Å; S38-K41 PolarHBondContact O-N 3.13Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S38-K41 PolarHBondContact OG-N 3.02Å; S38-M42 PolarHBondContact O-N 2.88Å
39K90.4Very high90.2Very high79 Ų7967.7 Ų67.734%0.34335%0.345SS..Hα-helixtrans-60.5-38.9174.1-167.6168.1-166.1163.50112E6 W23 K41 M42 M43E6-K39 WeakPolarHBondContact OE1-CE 3.12Å; E6-K39 IonicContact OE1-NZ 3.31Å; E6-K39 PolarHBondContact OE1-NZ 2.62Å; E6-K39 IonicContact OE2-NZ 2.66Å; W23-K39 HydrophobicContact CD2-CB 3.83Å; W23-K39 HydrophobicContact CD2-CD 4.14Å; W23-K39 HydrophobicContact CD2-CG 3.98Å; W23-K39 HydrophobicContact CE3-CB 4.09Å; W23-K39 HydrophobicContact CE3-CD 4.39Å; W23-K39 HydrophobicContact CG-CB 4.04Å; W23-K39 HydrophobicContact CG-CG 4.3Å; W23-K39 HydrophobicContact CH2-CD 3.89Å; W23-K39 HydrophobicContact CZ2-CD 3.59Å; W23-K39 VanDerWaalsContact CZ2-CE 3.49Å; W23-K39 HydrophobicContact CZ2-CG 4.24Å; W23-K39 VanDerWaalsContact CZ2-NZ 3.28Å; W23-K39 HydrophobicContact CZ3-CD 4.27Å; K39-K41 PolarHBondContact O-N 2.9Å; K39-M42 HydrophobicContact CG-CE 4.3Å; K39-M42 WeakPolarHBondContact O-CA 3.4Å; K39-M42 VanDerWaalsContact O-CB 3.32Å; K39-M42 WeakPolarHBondContact O-CB 3.43Å; K39-M42 PolarHBondContact O-N 3.47Å; K39-M43 HydrophobicContact CG-CG 4.5Å; K39-M43 WeakPolarHBondContact O-CG 3.48Å; K39-M43 PolarHBondContact O-N 2.99Å
40D90.4Very high90.5Very high93 Ų9365.7 Ų65.750%0.49734%0.339SS..Hα-helixtrans-64.9-23.8177.2-22.9-71.5000113S38 R44S38-D40 VanDerWaalsContact C-N 3.3Å; S38-D40 PolarHBondContact O-N 2.9Å; S38-D40 PolarHBondContact OG-N 2.82Å; S38-D40 PolarHBondContact OG-OD2 3.21Å; D40-R44 VanDerWaalsContact CB-NH2 3.33Å; D40-R44 WeakPolarHBondContact O-CB 3.39Å; D40-R44 WeakPolarHBondContact O-CG 3.39Å; D40-R44 PolarHBondContact O-N 2.88Å; D40-R44 PolarHBondContact O-NE 3.31Å
41K88.4Confident90.8Very high82 Ų8263.5 Ų63.536%0.35732%0.32SS..Hα-helixtrans-80.5-32.1173.4-75.2-77.8-172.5175.20111.4S38 K39 R44 G45 S46S38-K41 WeakPolarHBondContact O-CB 3.42Å; S38-K41 PolarHBondContact O-N 3.13Å; S38-K41 VanDerWaalsContact O-N 3.13Å; S38-K41 PolarHBondContact OG-N 3.02Å; K39-K41 PolarHBondContact O-N 2.9Å; K41-R44 CarbonylContact O-C 3.51Å; K41-R44 PolarHBondContact O-N 3.49Å; K41-G45 PolarHBondContact O-N 2.73Å; K41-S46 WeakPolarHBondContact O-CA 3.48Å; K41-S46 WeakPolarHBondContact O-CB 3.42Å; K41-S46 PolarHBondContact O-N 2.76Å
42M90.9Very high90.8Very high31 Ų3172 Ų7215%0.15335%0.352CS..Hα-helixtrans-65-49.8168-175.9-147.172.200112.1E6 W23 V25 Y36 S38 K39 R44 G45E6-M42 VanDerWaalsContact OE2-CE 3.27Å; E6-M42 WeakPolarHBondContact OE2-CE 3.41Å; W23-M42 PolarHBondContact NE1-SD 2.67Å; W23-M42 VanDerWaalsContact NE1-SD 3.39Å; V25-M42 HydrophobicContact CG2-CG 3.76Å; V25-M42 HydrophobicContact CG2-SD 3.29Å; V25-M42 WeakPolarHBondContact CG2-SD 3.44Å; Y36-M42 HydrophobicContact CD1-CB 3.74Å; Y36-M42 HydrophobicContact CD1-CG 4.2Å; Y36-M42 HydrophobicContact CD2-CB 3.82Å; Y36-M42 HydrophobicContact CD2-CG 3.84Å; Y36-M42 HydrophobicContact CE1-CB 4.08Å; Y36-M42 HydrophobicContact CE1-CG 4.06Å; Y36-M42 HydrophobicContact CE2-CB 4.21Å; Y36-M42 HydrophobicContact CE2-CG 3.75Å; Y36-M42 HydrophobicContact CG-CB 3.6Å; Y36-M42 HydrophobicContact CG-CG 4.1Å; S38-M42 PolarHBondContact O-N 2.88Å; K39-M42 HydrophobicContact CG-CE 4.3Å; K39-M42 WeakPolarHBondContact O-CA 3.4Å; K39-M42 VanDerWaalsContact O-CB 3.32Å; K39-M42 WeakPolarHBondContact O-CB 3.43Å; K39-M42 PolarHBondContact O-N 3.47Å; M42-R44 PolarHBondContact O-N 3.31Å; M42-G45 PolarHBondContact O-N 3.15Å
43M86.1Confident90.6Very high143 Ų14370.1 Ų70.170%0.70434%0.342SS*.THydrogen-bonded Turntrans-58.2-21.2176.3-64.4-61.5-70.100113.2K39K39-M43 HydrophobicContact CG-CG 4.5Å; K39-M43 WeakPolarHBondContact O-CG 3.48Å; K39-M43 PolarHBondContact O-N 2.99Å
44R88.7Confident90Very high175 Ų17577.1 Ų77.166%0.6637%0.368SS*.THydrogen-bonded Turntrans-102.217.5175.1-71.1179.8-78.5-170.5-9.9113.7D40 K41 M42 S46D40-R44 VanDerWaalsContact CB-NH2 3.33Å; D40-R44 WeakPolarHBondContact O-CB 3.39Å; D40-R44 WeakPolarHBondContact O-CG 3.39Å; D40-R44 PolarHBondContact O-N 2.88Å; D40-R44 PolarHBondContact O-NE 3.31Å; K41-R44 CarbonylContact O-C 3.51Å; K41-R44 PolarHBondContact O-N 3.49Å; M42-R44 PolarHBondContact O-N 3.31Å; R44-S46 PolarHBondContact O-N 2.86Å
45G84.9Confident89Confident60 Ų6078.7 Ų78.762%0.61939%0.386SS*.THydrogen-bonded Turntrans656.2177.300000115.8K41 M42 R47K41-G45 PolarHBondContact O-N 2.73Å; M42-G45 PolarHBondContact O-N 3.15Å; G45-R47 VanDerWaalsContact C-N 3.27Å; G45-R47 PolarHBondContact O-N 3.31Å
46S88.3Confident88.5Confident57 Ų5776.6 Ų76.640%0.39938%0.378SS..  trans-83.165.6-168.1-163.70000111.5Y36 K41 R44 R48Y36-S46 WeakPolarHBondContact CD1-O 3.22Å; K41-S46 WeakPolarHBondContact O-CA 3.48Å; K41-S46 WeakPolarHBondContact O-CB 3.42Å; K41-S46 PolarHBondContact O-N 2.76Å; R44-S46 PolarHBondContact O-N 2.86Å; S46-R48 PolarHBondContact O-N 3.45Å
47R91.6Very high87.5Confident130 Ų13077 Ų7749%0.49138%0.384SS..  trans-62129.7-177.4-173.2169.966177.6-0.7111.5S34 Y36 G45 G49S34-R47 WeakPolarHBondContact OG-CD 3.49Å; S34-R47 PolarHBondContact OG-NH1 3.33Å; Y36-R47 VanDerWaalsContact CD1-CA 3.48Å; Y36-R47 HydrophobicContact CD1-CB 4.28Å; Y36-R47 HydrophobicContact CE1-CB 3.63Å; Y36-R47 HydrophobicContact CE1-CG 4.16Å; G45-R47 VanDerWaalsContact C-N 3.27Å; G45-R47 PolarHBondContact O-N 3.31Å; R47-G49 VanDerWaalsContact CG-O 3.27Å; R47-G49 WeakPolarHBondContact CG-O 3.07Å
48R91.5Very high87Confident179 Ų17974.3 Ų74.368%0.67537%0.367SS*.  trans-91.1-26.4178.6-177.158-173.4-175.35.8112.9Y35 T37 S46Y35-R48 HydrophobicContact CD2-CB 4.12Å; Y35-R48 HydrophobicContact CD2-CG 4.31Å; Y35-R48 HydrophobicContact CE2-CB 4.09Å; Y35-R48 HydrophobicContact CE2-CG 3.86Å; Y35-R48 WeakPolarHBondContact O-CA 3.4Å; Y35-R48 WeakPolarHBondContact O-CB 3.26Å; Y35-R48 PolarHBondContact O-N 3.43Å; T37-R48 HydrophobicContact CG2-CB 4.36Å; T37-R48 HydrophobicContact CG2-CG 4.17Å; S46-R48 PolarHBondContact O-N 3.45Å
49G90.5Very high86.5Confident18 Ų1873 Ų7319%0.18636%0.358CS..EExtended strand (participates in β ladder)trans-177.3176.1173.100000111.4Y35 R47Y35-G49 PolarHBondContact N-O 3.37Å; Y35-G49 PolarHBondContact O-N 2.95Å; R47-G49 VanDerWaalsContact CG-O 3.27Å; R47-G49 WeakPolarHBondContact CG-O 3.07Å
50C91.5Very high85.9Confident57 Ų5770.1 Ų70.139%0.38535%0.346SS..EExtended strand (participates in β ladder)trans-150.5148.717154.10000110.9L33L33-C50 CarbonylContact O-C 3.52Å; L33-C50 VanDerWaalsContact O-CA 3.26Å; L33-C50 WeakPolarHBondContact O-CA 2.95Å
51V90.5Very high84.8Confident4 Ų466.2 Ų66.22%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-107.3135.6171.6-174.10000107.6L32 L33 L53 V72 F77L32-V51 WeakPolarHBondContact CA-O 3.4Å; L33-V51 HydrophobicContact CB-CB 4.37Å; L33-V51 PolarHBondContact N-O 3.39Å; L33-V51 PolarHBondContact O-N 2.59Å; V51-L53 HydrophobicContact CG1-CD2 4.41Å; V51-V72 HydrophobicContact CG1-CG1 3.61Å; V51-F77 HydrophobicContact CG1-CD2 4.12Å; V51-F77 HydrophobicContact CG1-CE2 3.95Å; V51-F77 HydrophobicContact CG2-CD1 4.27Å; V51-F77 HydrophobicContact CG2-CD2 4.04Å; V51-F77 HydrophobicContact CG2-CE1 4.19Å; V51-F77 HydrophobicContact CG2-CE2 3.95Å; V51-F77 HydrophobicContact CG2-CG 4.2Å; V51-F77 HydrophobicContact CG2-CZ 4.02Å
52R90.4Very high83.6Confident181 Ų18164.7 Ų64.768%0.68332%0.321SS*.EExtended strand (participates in β ladder)trans-84.4137.5169.5-73175.6172.6174.2-3.6108.5L32L32-R52 HydrophobicContact CD2-CB 4.45Å; L32-R52 HydrophobicContact CD2-CG 3.7Å
53L87.8Confident82.3Confident0 Ų067 Ų670%033%0.332CS..  trans-104.6-9.4-173.7-62.7179.6000114.4L26 G31 L33 V51 G55 A56 I70 L94 T97 I98L26-L53 HydrophobicContact CD1-CD1 3.33Å; G31-L53 WeakPolarHBondContact O-CB 3.19Å; G31-L53 PolarHBondContact O-N 2.81Å; L33-L53 HydrophobicContact CB-CD1 4.22Å; L33-L53 HydrophobicContact CB-CD2 4.29Å; L33-L53 HydrophobicContact CB-CG 4.4Å; V51-L53 HydrophobicContact CG1-CD2 4.41Å; L53-G55 PolarHBondContact O-N 3.12Å; L53-A56 HydrophobicContact CD2-CB 4.23Å; L53-A56 WeakPolarHBondContact O-CB 3.34Å; L53-A56 PolarHBondContact O-N 3.28Å; L53-A56 VanDerWaalsContact O-N 3.07Å; L53-I70 HydrophobicContact CD2-CD1 4.36Å; L53-I70 HydrophobicContact CD2-CG2 4.11Å; L53-L94 HydrophobicContact CD1-CD2 3.72Å; L53-L94 HydrophobicContact CD2-CD2 4.28Å; L53-T97 HydrophobicContact CB-CG2 4.43Å; L53-T97 HydrophobicContact CD1-CG2 3.78Å; L53-I98 HydrophobicContact CB-CG1 3.93Å; L53-I98 HydrophobicContact CD2-CG1 4.48Å
54R82.7Confident81.7Confident148 Ų14862.2 Ų62.256%0.55831%0.309SS*.THydrogen-bonded Turntrans-57.5119.5169176.7179176.3-164.9-0.7109.4A56 H101 L105R54-A56 PolarHBondContact O-N 3.31Å; R54-H101 HydrophobicContact CB-CB 4.39Å; R54-L105 HydrophobicContact CG-CD1 4.11Å; R54-L105 VanDerWaalsContact NH2-CD2 3.32Å; R54-L105 VanDerWaalsContact NH2-CG 3.31Å
55G73.2Confident81.2Confident45 Ų4558.4 Ų58.446%0.46430%0.302SS..THydrogen-bonded Turntrans64.615.5-177.200000115.2L53 T102L53-G55 PolarHBondContact O-N 3.12Å; G55-T102 PolarHBondContact N-OG1 2.98Å
56A82.4Confident81.2Confident2 Ų256.3 Ų56.32%0.01728%0.277CS..  trans-80.2147.3171.900000110.4L53 R54 I70 T71 V72 I98L53-A56 HydrophobicContact CD2-CB 4.23Å; L53-A56 WeakPolarHBondContact O-CB 3.34Å; L53-A56 PolarHBondContact O-N 3.28Å; L53-A56 VanDerWaalsContact O-N 3.07Å; R54-A56 PolarHBondContact O-N 3.31Å; A56-I70 HydrophobicContact CB-CG2 3.85Å; A56-T71 CarbonylContact C-O 3.54Å; A56-T71 WeakPolarHBondContact CA-O 3.05Å; A56-V72 HydrophobicContact CB-CB 3.76Å; A56-V72 HydrophobicContact CB-CG2 4.01Å; A56-I98 HydrophobicContact CB-CD1 4.37Å; A56-I98 HydrophobicContact CB-CG1 4.35Å; A56-I98 WeakPolarHBondContact O-CG2 3.29Å
57V74.1Confident81.1Confident36 Ų3653.7 Ų53.722%0.21826%0.259CS..EExtended strand (participates in β ladder)trans-119.5131.7176.5-179.60000109.8I70 T71 M535 L569V57-I70 CarbonylContact O-C 3.47Å; V57-I70 WeakPolarHBondContact O-CA 3.3Å; V57-T71 PolarHBondContact N-O 3.32Å; V57-T71 PolarHBondContact O-N 3.46Å; V57-M535 HydrophobicContact CB-CG 4.46Å; V57-M535 HydrophobicContact CG1-CG 3.84Å; V57-L569 HydrophobicContact CB-CD1 3.97Å; V57-L569 HydrophobicContact CG1-CD1 3.72Å; V57-L569 HydrophobicContact CG2-CD1 3.76Å
58I83.1Confident80.9Confident8 Ų847.6 Ų47.64%0.04124%0.236CC..EExtended strand (participates in β ladder)trans-80.3138.6170.9-56.5173.1000108.1I60 F68 T69 I91 L94 E95 I98 L384 G534 M535I58-I60 HydrophobicContact CG2-CG2 4.47Å; I58-F68 HydrophobicContact CG2-CD2 4.43Å; I58-T69 VanDerWaalsContact CA-O 3.25Å; I58-T69 WeakPolarHBondContact CA-O 3.13Å; I58-T69 WeakPolarHBondContact CG2-O 3.41Å; I58-I91 HydrophobicContact CD1-CG2 4.17Å; I58-I91 HydrophobicContact CG2-CG1 4.38Å; I58-L94 HydrophobicContact CD1-CB 3.57Å; I58-L94 HydrophobicContact CG1-CB 4.44Å; I58-E95 HydrophobicContact CD1-CG 3.65Å; I58-I98 HydrophobicContact CD1-CD1 3.97Å; I58-I98 HydrophobicContact CG1-CD1 3.68Å; I58-L384 HydrophobicContact CG2-CD1 4.1Å; I58-G534 CarbonylContact O-C 3.53Å; I58-G534 WeakPolarHBondContact O-CA 3.05Å; I58-M535 PolarHBondContact O-N 3.03Å
59G78.7Confident80.7Confident4 Ų439.7 Ų39.74%0.04121%0.208CC..EExtended strand (participates in β ladder)trans-121.3128165.900000110.1F68 T69G59-F68 CarbonylContact O-C 3.55Å; G59-T69 VanDerWaalsContact CA-OG1 3.3Å; G59-T69 WeakPolarHBondContact CA-OG1 3.46Å; G59-T69 PolarHBondContact N-O 2.86Å; G59-T69 PolarHBondContact N-OG1 3.46Å; G59-T69 PolarHBondContact O-N 3.1Å; G59-T69 PolarHBondContact O-OG1 3.28Å
60I77.9Confident80.6Confident19 Ų1938.8 Ų38.810%0.09720%0.199CC..EExtended strand (participates in β ladder)trans-104.5160.6171.751.7159.4000111.4I58 F68 I91 L384 L533I58-I60 HydrophobicContact CG2-CG2 4.47Å; I60-F68 HydrophobicContact CG2-CB 4.1Å; I60-I91 HydrophobicContact CG2-CD1 3.45Å; I60-I91 VanDerWaalsContact CG2-CD1 3.45Å; I60-I91 HydrophobicContact CG2-CG1 4.36Å; I60-L384 HydrophobicContact CB-CD1 4.47Å; I60-L384 HydrophobicContact CD1-CD1 4.14Å; I60-L384 HydrophobicContact CD1-CD2 3.79Å; I60-L384 HydrophobicContact CD1-CG 3.92Å; I60-L384 HydrophobicContact CG1-CD1 3.89Å; I60-L384 HydrophobicContact CG1-CD2 4.47Å; I60-L384 HydrophobicContact CG1-CG 4.16Å; I60-L384 HydrophobicContact CG2-CD1 3.83Å; I60-L533 HydrophobicContact CD1-CB 4.42Å; I60-L533 HydrophobicContact CD1-CD2 3.63Å; I60-L533 HydrophobicContact CG1-CB 3.93Å; I60-L533 HydrophobicContact CG1-CD2 4.07Å; I60-L533 PolarHBondContact N-O 3.34Å; I60-L533 VanDerWaalsContact N-O 3.15Å
61D67.5Low80.2Confident12 Ų1237.2 Ų37.26%0.06419%0.187CC..  trans-110.5146.1160.5-151.8-66.5000108.4E63 R87 R566 F600D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 2.91Å; D61-R87 PolarHBondContact O-NH1 3.39Å; D61-R566 IonicContact OD2-CZ 3.06Å; D61-R566 IonicContact OD2-NH1 2.66Å; D61-R566 PolarHBondContact OD2-NH1 3.35Å; D61-R566 IonicContact OD2-NH2 3.6Å; D61-R566 PolarHBondContact OD2-NH2 3.33Å; D61-F600 HydrophobicContact CB-CZ 3.81Å
62D64.3Low79.9Confident49 Ų4937.6 Ų37.626%0.26219%0.189SC..SBendtrans-103.4-6.4178.849.3-29000113.1L533 H540 Y564D62-L533 HydrophobicContact CB-CD2 4.39Å; D62-L533 VanDerWaalsContact OD1-CD1 3.27Å; D62-L533 WeakPolarHBondContact OD1-CD1 3.38Å; D62-H540 IonicContact OD2-CE1 3.75Å; D62-H540 PolarHBondContact OD2-CE1 2.91Å; D62-Y564 WeakPolarHBondContact OD1-CE1 3.38Å; D62-Y564 WeakPolarHBondContact OD2-CE1 3.34Å
63E63.2Low79.3Confident81 Ų8134.5 Ų34.538%0.37919%0.187SC..SBendtrans-89.9-20.9167.2-49.1-81.5171.500112D61 Y564 G578 T597D61-E63 WeakPolarHBondContact OD1-CB 3.41Å; D61-E63 PolarHBondContact OD1-N 2.91Å; E63-Y564 PolarHBondContact OE1-OH 3.24Å; E63-G578 PolarHBondContact OE1-N 3.07Å; E63-T597 HydrophobicContact CG-CG2 3.8Å
64D72.5Confident78.5Confident42 Ų4243.7 Ų43.723%0.22523%0.229CC..  trans-119.9104.7175.6179.3-8.3000111S66 T67 R87 F600D64-S66 PolarHBondContact O-N 3.34Å; D64-S66 WeakPolarHBondContact OD1-CA 3.46Å; D64-S66 WeakPolarHBondContact OD1-CB 3.35Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; D64-T67 PolarHBondContact OD1-N 3.07Å; D64-T67 WeakPolarHBondContact OD2-CB 3.34Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.39Å; D64-T67 PolarHBondContact OD2-OG1 2.84Å; D64-R87 PolarHBondContact O-NH1 2.93Å; D64-F600 HydrophobicContact CB-CE2 4.2Å; D64-F600 WeakPolarHBondContact OD2-CE2 3.23Å
65D78.6Confident78.4Confident95 Ų9542.9 Ų42.951%0.50823%0.23SC..THydrogen-bonded Turntrans-71.5-9.8-177.880.2-28.5000114.2A84 R87D65-A84 HydrophobicContact CB-CB 4Å; D65-A84 VanDerWaalsContact O-CA 3.28Å; D65-A84 WeakPolarHBondContact O-CA 3.39Å; D65-R87 WeakPolarHBondContact O-CD 3.26Å; D65-R87 VanDerWaalsContact O-CZ 3.27Å; D65-R87 PolarHBondContact O-NE 3.33Å
66S84.2Confident78.8Confident15 Ų1543.8 Ų43.811%0.10523%0.227CC..THydrogen-bonded Turntrans-101.4-23-173.278.20000114D64 Q80 A81D64-S66 PolarHBondContact O-N 3.34Å; D64-S66 WeakPolarHBondContact OD1-CA 3.46Å; D64-S66 WeakPolarHBondContact OD1-CB 3.35Å; D64-S66 PolarHBondContact OD1-N 3.08Å; D64-S66 PolarHBondContact OD1-OG 2.86Å; S66-Q80 WeakPolarHBondContact O-CA 3.35Å; S66-Q80 PolarHBondContact OG-NE2 3.08Å; S66-A81 PolarHBondContact O-N 3.35Å
67T87Confident79.2Confident2 Ų245.9 Ų45.91%0.01224%0.236CC..EExtended strand (participates in β ladder)trans-108.7155.2-17157.20000114.6W19 D64 F79 Q80 R87 F600W19-T67 HydrophobicContact CH2-CG2 4.08Å; W19-T67 HydrophobicContact CZ2-CG2 3.84Å; D64-T67 PolarHBondContact OD1-N 3.07Å; D64-T67 WeakPolarHBondContact OD2-CB 3.34Å; D64-T67 WeakPolarHBondContact OD2-CG2 3.39Å; D64-T67 PolarHBondContact OD2-OG1 2.84Å; T67-F79 WeakPolarHBondContact CA-O 3.34Å; T67-Q80 HydrophobicContact CG2-CB 3.91Å; T67-Q80 HydrophobicContact CG2-CG 3.93Å; T67-R87 WeakPolarHBondContact O-CD 3.12Å; T67-F600 HydrophobicContact CG2-CE2 4.25Å; T67-F600 WeakPolarHBondContact OG1-CE2 3.19Å; T67-F600 WeakPolarHBondContact OG1-CZ 3.27Å
68F87.6Confident79.8Confident2 Ų246.4 Ų46.41%0.00924%0.235CC..EExtended strand (participates in β ladder)trans-155.1169.9171.167.8-79.9000110.7L9 I58 G59 I60 I70 F79 R87 W90 I91 L94L9-F68 HydrophobicContact CD1-CE1 4.26Å; L9-F68 HydrophobicContact CD1-CZ 3.74Å; L9-F68 HydrophobicContact CD2-CE1 3.92Å; L9-F68 HydrophobicContact CD2-CZ 4.24Å; I58-F68 HydrophobicContact CG2-CD2 4.43Å; G59-F68 CarbonylContact O-C 3.55Å; I60-F68 HydrophobicContact CG2-CB 4.1Å; F68-I70 HydrophobicContact CD2-CG1 4.49Å; F68-I70 HydrophobicContact CE2-CD1 4.41Å; F68-I70 HydrophobicContact CE2-CG1 4.31Å; F68-F79 HydrophobicContact CD1-CB 4Å; F68-F79 HydrophobicContact CD2-CB 4.26Å; F68-F79 HydrophobicContact CD2-CD2 4.08Å; F68-F79 HydrophobicContact CE1-CB 3.64Å; F68-F79 HydrophobicContact CE2-CB 3.9Å; F68-F79 AromaticContact CE2-CD2 3.77Å; F68-F79 HydrophobicContact CE2-CD2 3.77Å; F68-F79 AromaticContact CE2-CG 3.99Å; F68-F79 HydrophobicContact CE2-CG 3.99Å; F68-F79 HydrophobicContact CG-CB 4.32Å; F68-F79 HydrophobicContact CZ-CB 3.6Å; F68-F79 HydrophobicContact CZ-CD2 4.27Å; F68-F79 HydrophobicContact CZ-CG 4.01Å; F68-F79 PolarHBondContact N-O 3.04Å; F68-F79 PolarHBondContact O-N 3.19Å; F68-F79 VanDerWaalsContact O-O 3.06Å; F68-R87 HydrophobicContact CD1-CG 3.94Å; F68-W90 HydrophobicContact CE1-CB 4.31Å; F68-W90 HydrophobicContact CZ-CB 4.01Å; F68-I91 HydrophobicContact CB-CD1 4.47Å; F68-I91 HydrophobicContact CB-CG1 4.49Å; F68-I91 HydrophobicContact CG-CG1 4.4Å; F68-L94 HydrophobicContact CE2-CD1 3.62Å; F68-L94 HydrophobicContact CZ-CD1 4.18Å
69T87.8Confident80.3Confident13 Ų1346 Ų468%0.0823%0.234CC..EExtended strand (participates in β ladder)trans-128.4156.5178.760.80000111.3I58 G59 T76 F77 H78I58-T69 VanDerWaalsContact CA-O 3.25Å; I58-T69 WeakPolarHBondContact CA-O 3.13Å; I58-T69 WeakPolarHBondContact CG2-O 3.41Å; G59-T69 VanDerWaalsContact CA-OG1 3.3Å; G59-T69 WeakPolarHBondContact CA-OG1 3.46Å; G59-T69 PolarHBondContact N-O 2.86Å; G59-T69 PolarHBondContact N-OG1 3.46Å; G59-T69 PolarHBondContact O-N 3.1Å; G59-T69 PolarHBondContact O-OG1 3.28Å; T69-T76 HydrophobicContact CG2-CG2 3.97Å; T69-F77 CarbonylContact C-O 3.57Å; T69-F77 VanDerWaalsContact CA-O 3.23Å; T69-F77 WeakPolarHBondContact CA-O 3.35Å; T69-H78 WeakPolarHBondContact CG2-ND1 3.26Å
70I88.2Confident80.9Confident0 Ų048.4 Ų48.40%024%0.243CC..EExtended strand (participates in β ladder)trans-128.1122.9164.3-53.5169.7000106.9L33 L53 A56 V57 F68 F77 F79 L94L33-I70 HydrophobicContact CD2-CD1 3.5Å; L33-I70 VanDerWaalsContact CD2-CD1 3.5Å; L53-I70 HydrophobicContact CD2-CD1 4.36Å; L53-I70 HydrophobicContact CD2-CG2 4.11Å; A56-I70 HydrophobicContact CB-CG2 3.85Å; V57-I70 CarbonylContact O-C 3.47Å; V57-I70 WeakPolarHBondContact O-CA 3.3Å; F68-I70 HydrophobicContact CD2-CG1 4.49Å; F68-I70 HydrophobicContact CE2-CD1 4.41Å; F68-I70 HydrophobicContact CE2-CG1 4.31Å; I70-F77 PolarHBondContact N-O 2.71Å; I70-F77 PolarHBondContact O-N 2.73Å; I70-F79 HydrophobicContact CB-CE2 3.83Å; I70-F79 HydrophobicContact CD1-CD2 4.25Å; I70-F79 HydrophobicContact CD1-CE2 3.55Å; I70-F79 HydrophobicContact CD1-CZ 3.93Å; I70-F79 HydrophobicContact CG1-CD2 4.09Å; I70-F79 HydrophobicContact CG1-CE2 3.54Å; I70-F79 HydrophobicContact CG1-CZ 4.39Å; I70-L94 HydrophobicContact CD1-CD1 3.74Å; I70-L94 HydrophobicContact CD1-CD2 4.03Å; I70-L94 HydrophobicContact CG1-CD1 4.39Å
71T81.8Confident81.6Confident23 Ų2347.9 Ų47.914%0.14124%0.242CC..EExtended strand (participates in β ladder)trans-110.9126.6176-63.80000110A56 V57 K75 T76 M535A56-T71 CarbonylContact C-O 3.54Å; A56-T71 WeakPolarHBondContact CA-O 3.05Å; V57-T71 PolarHBondContact N-O 3.32Å; V57-T71 PolarHBondContact O-N 3.46Å; T71-K75 WeakPolarHBondContact CA-O 3.39Å; T71-T76 WeakPolarHBondContact OG1-CB 3.44Å; T71-T76 WeakPolarHBondContact OG1-CG2 3.45Å; T71-T76 PolarHBondContact OG1-OG1 3.09Å; T71-M535 VanDerWaalsContact CB-SD 3.55Å; T71-M535 HydrophobicContact CG2-CE 4.11Å; T71-M535 HydrophobicContact CG2-SD 4.36Å; T71-M535 PolarHBondContact OG1-SD 3.17Å
72V84Confident82.7Confident12 Ų1255.5 Ų55.57%0.07327%0.27CS..EExtended strand (participates in β ladder)trans-149.3148.2174.967.40000109.2V51 A56 Q74 K75 F77V51-V72 HydrophobicContact CG1-CG1 3.61Å; A56-V72 HydrophobicContact CB-CB 3.76Å; A56-V72 HydrophobicContact CB-CG2 4.01Å; V72-Q74 PolarHBondContact O-N 2.59Å; V72-K75 PolarHBondContact N-O 2.63Å; V72-K75 VanDerWaalsContact N-O 3.13Å; V72-K75 WeakPolarHBondContact O-CA 3.39Å; V72-K75 WeakPolarHBondContact O-CB 3.28Å; V72-K75 PolarHBondContact O-N 2.62Å; V72-F77 HydrophobicContact CG1-CE2 4.17Å
73D79.4Confident83.7Confident117 Ų11756.1 Ų56.163%0.62627%0.273SS*.THydrogen-bonded Turntrans48.843.6-178.6-54.7-25.4000113.2K75D73-K75 PolarHBondContact O-N 2.94Å; D73-K75 VanDerWaalsContact O-N 3.14Å
74Q71.4Confident84.6Confident192 Ų19253.5 Ų53.590%0.89727%0.266SS*.THydrogen-bonded Turntrans58.914.9-174.1-54.2177.9-0.800115.4V72V72-Q74 PolarHBondContact O-N 2.59Å
75K80Confident85.2Confident132 Ų13256.5 Ų56.557%0.57428%0.282SS*.EExtended strand (participates in β ladder)trans-115.1114.1-178.1-68.2157-169.4154.30111.2T71 V72 D73 F77T71-K75 WeakPolarHBondContact CA-O 3.39Å; V72-K75 PolarHBondContact N-O 2.63Å; V72-K75 VanDerWaalsContact N-O 3.13Å; V72-K75 WeakPolarHBondContact O-CA 3.39Å; V72-K75 WeakPolarHBondContact O-CB 3.28Å; V72-K75 PolarHBondContact O-N 2.62Å; D73-K75 PolarHBondContact O-N 2.94Å; D73-K75 VanDerWaalsContact O-N 3.14Å; K75-F77 HydrophobicContact CB-CE2 4.13Å; K75-F77 HydrophobicContact CB-CZ 4.43Å
76T82.2Confident85.7Confident64 Ų6452.9 Ų52.939%0.39326%0.262SS..EExtended strand (participates in β ladder)trans-82.4127.2172.3-52.80000110.9T69 T71T69-T76 HydrophobicContact CG2-CG2 3.97Å; T71-T76 WeakPolarHBondContact OG1-CB 3.44Å; T71-T76 WeakPolarHBondContact OG1-CG2 3.45Å; T71-T76 PolarHBondContact OG1-OG1 3.09Å
77F88.9Confident85.9Confident46 Ų4653.3 Ų53.320%0.20226%0.261CS..EExtended strand (participates in β ladder)trans-107.7124.9169.9-60.4-89.7000108.8V51 T69 I70 V72 K75 F79V51-F77 HydrophobicContact CG1-CD2 4.12Å; V51-F77 HydrophobicContact CG1-CE2 3.95Å; V51-F77 HydrophobicContact CG2-CD1 4.27Å; V51-F77 HydrophobicContact CG2-CD2 4.04Å; V51-F77 HydrophobicContact CG2-CE1 4.19Å; V51-F77 HydrophobicContact CG2-CE2 3.95Å; V51-F77 HydrophobicContact CG2-CG 4.2Å; V51-F77 HydrophobicContact CG2-CZ 4.02Å; T69-F77 CarbonylContact C-O 3.57Å; T69-F77 VanDerWaalsContact CA-O 3.23Å; T69-F77 WeakPolarHBondContact CA-O 3.35Å; I70-F77 PolarHBondContact N-O 2.71Å; I70-F77 PolarHBondContact O-N 2.73Å; V72-F77 HydrophobicContact CG1-CE2 4.17Å; K75-F77 HydrophobicContact CB-CE2 4.13Å; K75-F77 HydrophobicContact CB-CZ 4.43Å; F77-F79 HydrophobicContact CB-CE1 4.49Å; F77-F79 HydrophobicContact CB-CE2 3.51Å; F77-F79 HydrophobicContact CB-CZ 3.47Å; F77-F79 VanDerWaalsContact CB-CZ 3.47Å; F77-F79 HydrophobicContact CG-CZ 4.42Å; F77-F79 WeakPolarHBondContact O-CD2 3.31Å; F77-F79 WeakPolarHBondContact O-CE2 3.48Å
78H88.6Confident85.7Confident47 Ų4758.9 Ų58.922%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-95.8137177.5-57.6-101.3000111.4W12 W19 T69 F600W12-H78 HydrophobicContact CB-CB 3.96Å; W12-H78 PolarHBondContact N-O 2.99Å; W12-H78 VanDerWaalsContact N-O 3.08Å; W19-H78 HydrophobicContact CH2-CB 4.15Å; W19-H78 HydrophobicContact CZ3-CB 4.35Å; T69-H78 WeakPolarHBondContact CG2-ND1 3.26Å; H78-F600 AromaticContact ND1-CD1 3.81Å
79F92.5Very high85.8Confident0 Ų064 Ų640%031%0.309CS..EExtended strand (participates in β ladder)trans-132.2151.3-178.4-52.4-84.9000110.8L9 S10 K11 F24 L33 T67 F68 I70 F77L9-F79 HydrophobicContact CD1-CB 4.35Å; L9-F79 HydrophobicContact CD1-CD1 4.13Å; L9-F79 HydrophobicContact CD1-CG 4.46Å; S10-F79 CarbonylContact O-C 3.59Å; S10-F79 VanDerWaalsContact O-CA 3.31Å; S10-F79 WeakPolarHBondContact O-CA 3.41Å; K11-F79 HydrophobicContact CB-CD1 4.48Å; K11-F79 HydrophobicContact CG-CD1 4.11Å; K11-F79 HydrophobicContact CG-CE1 3.95Å; F24-F79 HydrophobicContact CE1-CD1 4.18Å; F24-F79 AromaticContact CE1-CE1 3.57Å; F24-F79 HydrophobicContact CE1-CE1 3.57Å; F24-F79 HydrophobicContact CE2-CD1 4.39Å; F24-F79 AromaticContact CZ-CD1 3.78Å; F24-F79 HydrophobicContact CZ-CD1 3.78Å; F24-F79 AromaticContact CZ-CE1 3.5Å; F24-F79 HydrophobicContact CZ-CE1 3.5Å; F24-F79 VanDerWaalsContact CZ-CE1 3.5Å; L33-F79 HydrophobicContact CD2-CE1 4.33Å; L33-F79 HydrophobicContact CD2-CZ 4.15Å; T67-F79 WeakPolarHBondContact CA-O 3.34Å; F68-F79 HydrophobicContact CD1-CB 4Å; F68-F79 HydrophobicContact CD2-CB 4.26Å; F68-F79 HydrophobicContact CD2-CD2 4.08Å; F68-F79 HydrophobicContact CE1-CB 3.64Å; F68-F79 HydrophobicContact CE2-CB 3.9Å; F68-F79 AromaticContact CE2-CD2 3.77Å; F68-F79 HydrophobicContact CE2-CD2 3.77Å; F68-F79 AromaticContact CE2-CG 3.99Å; F68-F79 HydrophobicContact CE2-CG 3.99Å; F68-F79 HydrophobicContact CG-CB 4.32Å; F68-F79 HydrophobicContact CZ-CB 3.6Å; F68-F79 HydrophobicContact CZ-CD2 4.27Å; F68-F79 HydrophobicContact CZ-CG 4.01Å; F68-F79 PolarHBondContact N-O 3.04Å; F68-F79 PolarHBondContact O-N 3.19Å; F68-F79 VanDerWaalsContact O-O 3.06Å; I70-F79 HydrophobicContact CB-CE2 3.83Å; I70-F79 HydrophobicContact CD1-CD2 4.25Å; I70-F79 HydrophobicContact CD1-CE2 3.55Å; I70-F79 HydrophobicContact CD1-CZ 3.93Å; I70-F79 HydrophobicContact CG1-CD2 4.09Å; I70-F79 HydrophobicContact CG1-CE2 3.54Å; I70-F79 HydrophobicContact CG1-CZ 4.39Å; F77-F79 HydrophobicContact CB-CE1 4.49Å; F77-F79 HydrophobicContact CB-CE2 3.51Å; F77-F79 HydrophobicContact CB-CZ 3.47Å; F77-F79 VanDerWaalsContact CB-CZ 3.47Å; F77-F79 HydrophobicContact CG-CZ 4.42Å; F77-F79 WeakPolarHBondContact O-CD2 3.31Å; F77-F79 WeakPolarHBondContact O-CE2 3.48Å
80Q92.1Very high86Confident53 Ų5363.4 Ų63.425%0.24831%0.305CS..EExtended strand (participates in β ladder)trans-135.9126.3173.8-178.2168.447.900108.8S10 W19 S66 T67S10-Q80 PolarHBondContact N-O 3.43Å; S10-Q80 PolarHBondContact O-N 3.29Å; W19-Q80 HydrophobicContact CD2-CB 4.39Å; W19-Q80 HydrophobicContact CE3-CB 4.16Å; W19-Q80 HydrophobicContact CH2-CB 3.65Å; W19-Q80 HydrophobicContact CZ2-CB 3.88Å; W19-Q80 HydrophobicContact CZ3-CB 3.81Å; S66-Q80 WeakPolarHBondContact O-CA 3.35Å; S66-Q80 PolarHBondContact OG-NE2 3.08Å; T67-Q80 HydrophobicContact CG2-CB 3.91Å; T67-Q80 HydrophobicContact CG2-CG 3.93Å
81A92Very high85.9Confident9 Ų963.8 Ų63.87%0.07431%0.307CS..  trans-82.6175169.100000110.5L9 S66 E86 R87L9-A81 HydrophobicContact CD2-CB 4.13Å; S66-A81 PolarHBondContact O-N 3.35Å; A81-E86 HydrophobicContact CB-CB 4.04Å; A81-E86 HydrophobicContact CB-CG 3.94Å; A81-R87 HydrophobicContact CB-CB 3.88Å
82R89.6Confident85.9Confident172 Ų17269.7 Ų69.765%0.64933%0.333SS*.SBendtrans-76.7-27.2173.4-68.2173-67.7133.1-3.4113.4E86R82-E86 WeakPolarHBondContact CB-OE2 3.37Å; R82-E86 VanDerWaalsContact CG-OE2 3.28Å; R82-E86 WeakPolarHBondContact CG-OE2 3.28Å; R82-E86 IonicContact CZ-OE1 3.41Å; R82-E86 IonicContact CZ-OE2 2.93Å; R82-E86 PolarHBondContact N-OE2 2.89Å; R82-E86 VanDerWaalsContact NE-CD 3.35Å; R82-E86 IonicContact NE-OE1 3.92Å; R82-E86 PolarHBondContact NE-OE1 3.18Å; R82-E86 IonicContact NE-OE2 3.27Å; R82-E86 PolarHBondContact NE-OE2 3.1Å; R82-E86 IonicContact NH2-OE1 3.45Å; R82-E86 PolarHBondContact NH2-OE1 2.82Å; R82-E86 IonicContact NH2-OE2 3.96Å
83D86.6Confident86Confident62 Ų6269.4 Ų69.433%0.33233%0.332SS..SBendtrans-161.7163.1-17143.670.1000109.5D85 E86 R87D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact OD1-CB 3.27Å; D83-D85 WeakPolarHBondContact OD1-CB 3.33Å; D83-E86 PolarHBondContact O-N 3.14Å; D83-E86 VanDerWaalsContact OD1-CB 3.27Å; D83-E86 WeakPolarHBondContact OD1-CB 3.49Å; D83-E86 PolarHBondContact OD1-N 2.95Å; D83-R87 PolarHBondContact O-N 2.86Å
84A80.8Confident86.5Confident26 Ų2663.8 Ų63.822%0.21530%0.302CS..Hα-helixtrans-56.2-37.3176.100000112.7D65 E86 R87 E88D65-A84 HydrophobicContact CB-CB 4Å; D65-A84 VanDerWaalsContact O-CA 3.28Å; D65-A84 WeakPolarHBondContact O-CA 3.39Å; A84-E86 PolarHBondContact O-N 3.16Å; A84-R87 WeakPolarHBondContact O-CB 3.32Å; A84-R87 PolarHBondContact O-N 2.8Å; A84-R87 VanDerWaalsContact O-N 3.13Å; A84-E88 PolarHBondContact O-N 2.89Å
85D85.4Confident86.9Confident105 Ų10557.3 Ų57.356%0.56127%0.272SS*.Hα-helixtrans-57.7-45.8178.4-125.162.2000111.5D83 K89D83-D85 PolarHBondContact O-N 2.95Å; D83-D85 VanDerWaalsContact OD1-CB 3.27Å; D83-D85 WeakPolarHBondContact OD1-CB 3.33Å; D85-K89 WeakPolarHBondContact O-CD 3.27Å; D85-K89 WeakPolarHBondContact O-CG 3.35Å; D85-K89 PolarHBondContact O-N 3.26Å; D85-K89 PolarHBondContact O-NZ 3.12Å; D85-K89 IonicContact OD2-NZ 2.68Å; D85-K89 PolarHBondContact OD2-NZ 2.77Å
86E89.8Confident86.7Confident19 Ų1952.7 Ų52.79%0.08926%0.262CS..Hα-helixtrans-74-34.8174178.1168.8-109.300111.9A81 R82 D83 A84 K89 W90A81-E86 HydrophobicContact CB-CB 4.04Å; A81-E86 HydrophobicContact CB-CG 3.94Å; R82-E86 WeakPolarHBondContact CB-OE2 3.37Å; R82-E86 VanDerWaalsContact CG-OE2 3.28Å; R82-E86 WeakPolarHBondContact CG-OE2 3.28Å; R82-E86 IonicContact CZ-OE1 3.41Å; R82-E86 IonicContact CZ-OE2 2.93Å; R82-E86 PolarHBondContact N-OE2 2.89Å; R82-E86 VanDerWaalsContact NE-CD 3.35Å; R82-E86 IonicContact NE-OE1 3.92Å; R82-E86 PolarHBondContact NE-OE1 3.18Å; R82-E86 IonicContact NE-OE2 3.27Å; R82-E86 PolarHBondContact NE-OE2 3.1Å; R82-E86 IonicContact NH2-OE1 3.45Å; R82-E86 PolarHBondContact NH2-OE1 2.82Å; R82-E86 IonicContact NH2-OE2 3.96Å; D83-E86 PolarHBondContact O-N 3.14Å; D83-E86 VanDerWaalsContact OD1-CB 3.27Å; D83-E86 WeakPolarHBondContact OD1-CB 3.49Å; D83-E86 PolarHBondContact OD1-N 2.95Å; A84-E86 PolarHBondContact O-N 3.16Å; E86-K89 PolarHBondContact O-N 3.03Å; E86-W90 VanDerWaalsContact O-CD1 3.28Å; E86-W90 PolarHBondContact O-N 3.47Å; E86-W90 VanDerWaalsContact O-N 3.08Å
87R88.6Confident86.8Confident24 Ų2449.7 Ų49.79%0.09124%0.243CC..Hα-helixtrans-57.6-53.1175.3-172.6-173.264.2165.2-3.1111D61 D64 D65 T67 F68 A81 D83 A84 K89 W90 I91D61-R87 PolarHBondContact O-NH1 3.39Å; D64-R87 PolarHBondContact O-NH1 2.93Å; D65-R87 WeakPolarHBondContact O-CD 3.26Å; D65-R87 VanDerWaalsContact O-CZ 3.27Å; D65-R87 PolarHBondContact O-NE 3.33Å; T67-R87 WeakPolarHBondContact O-CD 3.12Å; F68-R87 HydrophobicContact CD1-CG 3.94Å; A81-R87 HydrophobicContact CB-CB 3.88Å; D83-R87 PolarHBondContact O-N 2.86Å; A84-R87 WeakPolarHBondContact O-CB 3.32Å; A84-R87 PolarHBondContact O-N 2.8Å; A84-R87 VanDerWaalsContact O-N 3.13Å; R87-K89 PolarHBondContact O-N 2.75Å; R87-W90 PolarHBondContact O-N 3.32Å; R87-I91 HydrophobicContact CG-CD1 3.7Å; R87-I91 HydrophobicContact CG-CG1 4.43Å; R87-I91 WeakPolarHBondContact O-CG1 3.2Å; R87-I91 PolarHBondContact O-N 3.45Å
88E83.5Confident86.5Confident118 Ų11848.5 Ų48.555%0.55124%0.239SC*.Hα-helixtrans-63.7-40.9-178.4-71.8-177.3-177.400112.3A84 W90 I91 H92A84-E88 PolarHBondContact O-N 2.89Å; E88-W90 VanDerWaalsContact C-N 3.29Å; E88-W90 PolarHBondContact O-N 3.07Å; E88-I91 PolarHBondContact O-N 2.86Å; E88-H92 WeakPolarHBondContact O-CB 3.06Å; E88-H92 PolarHBondContact O-N 3.43Å
89K88.2Confident85.8Confident109 Ų10949.9 Ų49.947%0.47425%0.247SC..Hα-helixtrans-59.8-39.2175.4-70.2171.9-166.287.90111.9M5 D85 E86 R87 A93M5-K89 HydrophobicContact CE-CB 4.4Å; D85-K89 WeakPolarHBondContact O-CD 3.27Å; D85-K89 WeakPolarHBondContact O-CG 3.35Å; D85-K89 PolarHBondContact O-N 3.26Å; D85-K89 PolarHBondContact O-NZ 3.12Å; D85-K89 IonicContact OD2-NZ 2.68Å; D85-K89 PolarHBondContact OD2-NZ 2.77Å; E86-K89 PolarHBondContact O-N 3.03Å; R87-K89 PolarHBondContact O-N 2.75Å; K89-A93 WeakPolarHBondContact O-CB 3.45Å; K89-A93 PolarHBondContact O-N 2.99Å
90W92.1Very high85Confident2 Ų255.4 Ų55.41%0.00827%0.268CS..Hα-helixtrans-70.4-44.7173.1-85109.6000112.7M5 P8 L9 F24 L26 L33 F68 E86 R87 E88 A93 L94M5-W90 HydrophobicContact CE-CB 4.48Å; M5-W90 HydrophobicContact CE-CD2 3.53Å; M5-W90 HydrophobicContact CE-CE3 3.87Å; M5-W90 HydrophobicContact CE-CG 3.8Å; M5-W90 HydrophobicContact CE-CZ2 4.26Å; M5-W90 HydrophobicContact CE-CZ3 4.34Å; M5-W90 HydrophobicContact CG-CH2 4.31Å; M5-W90 HydrophobicContact CG-CZ3 4.19Å; M5-W90 HydrophobicContact SD-CD2 4.18Å; M5-W90 HydrophobicContact SD-CE3 3.88Å; M5-W90 HydrophobicContact SD-CZ3 4.12Å; P8-W90 PolarHBondContact O-NE1 2.81Å; L9-W90 HydrophobicContact CD1-CD2 3.91Å; L9-W90 HydrophobicContact CD1-CE3 4.37Å; L9-W90 HydrophobicContact CD1-CG 4.17Å; L9-W90 HydrophobicContact CD1-CZ2 4.31Å; L9-W90 HydrophobicContact CD2-CG 4.11Å; L9-W90 HydrophobicContact CG-CD2 4.28Å; L9-W90 HydrophobicContact CG-CG 4.39Å; L9-W90 HydrophobicContact CG-CZ2 4.26Å; F24-W90 HydrophobicContact CB-CH2 3.51Å; F24-W90 HydrophobicContact CB-CZ2 3.93Å; F24-W90 HydrophobicContact CB-CZ3 4.27Å; L26-W90 HydrophobicContact CB-CZ3 4.09Å; L33-W90 HydrophobicContact CD1-CZ3 4.01Å; F68-W90 HydrophobicContact CE1-CB 4.31Å; F68-W90 HydrophobicContact CZ-CB 4.01Å; E86-W90 VanDerWaalsContact O-CD1 3.28Å; E86-W90 PolarHBondContact O-N 3.47Å; E86-W90 VanDerWaalsContact O-N 3.08Å; R87-W90 PolarHBondContact O-N 3.32Å; E88-W90 VanDerWaalsContact C-N 3.29Å; E88-W90 PolarHBondContact O-N 3.07Å; W90-A93 PolarHBondContact O-N 2.93Å; W90-L94 WeakPolarHBondContact O-CB 3.23Å; W90-L94 WeakPolarHBondContact O-CD1 3.5Å; W90-L94 WeakPolarHBondContact O-CG 3.3Å; W90-L94 PolarHBondContact O-N 3.46Å
91I86.2Confident84.4Confident7 Ų754.2 Ų54.24%0.03626%0.262CS..Hα-helixtrans-58.4-55.8179.4-69.9163.3000110.6I58 I60 F68 R87 E88 A93 L94 E95 L384I58-I91 HydrophobicContact CD1-CG2 4.17Å; I58-I91 HydrophobicContact CG2-CG1 4.38Å; I60-I91 HydrophobicContact CG2-CD1 3.45Å; I60-I91 VanDerWaalsContact CG2-CD1 3.45Å; I60-I91 HydrophobicContact CG2-CG1 4.36Å; F68-I91 HydrophobicContact CB-CD1 4.47Å; F68-I91 HydrophobicContact CB-CG1 4.49Å; F68-I91 HydrophobicContact CG-CG1 4.4Å; R87-I91 HydrophobicContact CG-CD1 3.7Å; R87-I91 HydrophobicContact CG-CG1 4.43Å; R87-I91 WeakPolarHBondContact O-CG1 3.2Å; R87-I91 PolarHBondContact O-N 3.45Å; E88-I91 PolarHBondContact O-N 2.86Å; I91-A93 VanDerWaalsContact C-N 3.27Å; I91-A93 PolarHBondContact O-N 3.11Å; I91-L94 CarbonylContact O-C 3.5Å; I91-L94 WeakPolarHBondContact O-CA 3.31Å; I91-L94 WeakPolarHBondContact O-CB 3.25Å; I91-L94 PolarHBondContact O-N 3.03Å; I91-E95 HydrophobicContact CG2-CG 4.14Å; I91-E95 PolarHBondContact O-N 3.38Å; I91-L384 HydrophobicContact CG2-CD1 3.75Å; I91-L384 HydrophobicContact CG2-CD2 4.07Å; I91-L384 HydrophobicContact CG2-CG 4.44Å
92H81.3Confident83.2Confident147 Ų14755.9 Ų55.968%0.68127%0.272SS*.Hα-helixtrans-58-39.6-176.8177.1-91.8000112.3E88 G96E88-H92 WeakPolarHBondContact O-CB 3.06Å; E88-H92 PolarHBondContact O-N 3.43Å; H92-G96 PolarHBondContact O-N 3.33Å
93A87.3Confident81.5Confident6 Ų651.8 Ų51.85%0.0526%0.262CS..Hα-helixtrans-66.3-41.3174.700000112.5M5 L26 Y28 K89 W90 I91 T97M5-A93 HydrophobicContact SD-CB 3.43Å; M5-A93 WeakPolarHBondContact SD-CB 3.34Å; L26-A93 HydrophobicContact CD2-CB 3.77Å; Y28-A93 HydrophobicContact CE1-CB 3.99Å; Y28-A93 WeakPolarHBondContact OH-CB 3.29Å; K89-A93 WeakPolarHBondContact O-CB 3.45Å; K89-A93 PolarHBondContact O-N 2.99Å; W90-A93 PolarHBondContact O-N 2.93Å; I91-A93 VanDerWaalsContact C-N 3.27Å; I91-A93 PolarHBondContact O-N 3.11Å; A93-T97 PolarHBondContact O-N 2.94Å; A93-T97 PolarHBondContact O-OG1 2.97Å
94L89.6Confident80.1Confident0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-67.8-45177-72165000111.6L26 L33 L53 I58 F68 I70 W90 I91 T97 I98L26-L94 HydrophobicContact CD1-CD2 3.86Å; L26-L94 HydrophobicContact CD2-CD2 3.94Å; L26-L94 HydrophobicContact CD2-CG 4.17Å; L26-L94 HydrophobicContact CG-CD2 4.47Å; L33-L94 HydrophobicContact CD1-CD2 4.32Å; L33-L94 HydrophobicContact CD2-CD2 4.1Å; L53-L94 HydrophobicContact CD1-CD2 3.72Å; L53-L94 HydrophobicContact CD2-CD2 4.28Å; I58-L94 HydrophobicContact CD1-CB 3.57Å; I58-L94 HydrophobicContact CG1-CB 4.44Å; F68-L94 HydrophobicContact CE2-CD1 3.62Å; F68-L94 HydrophobicContact CZ-CD1 4.18Å; I70-L94 HydrophobicContact CD1-CD1 3.74Å; I70-L94 HydrophobicContact CD1-CD2 4.03Å; I70-L94 HydrophobicContact CG1-CD1 4.39Å; W90-L94 WeakPolarHBondContact O-CB 3.23Å; W90-L94 WeakPolarHBondContact O-CD1 3.5Å; W90-L94 WeakPolarHBondContact O-CG 3.3Å; W90-L94 PolarHBondContact O-N 3.46Å; I91-L94 CarbonylContact O-C 3.5Å; I91-L94 WeakPolarHBondContact O-CA 3.31Å; I91-L94 WeakPolarHBondContact O-CB 3.25Å; I91-L94 PolarHBondContact O-N 3.03Å; L94-T97 WeakPolarHBondContact O-CA 3.5Å; L94-T97 WeakPolarHBondContact O-CB 3.47Å; L94-T97 PolarHBondContact O-N 3.14Å; L94-T97 VanDerWaalsContact O-N 3.07Å; L94-I98 WeakPolarHBondContact O-CB 3.45Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.3Å; L94-I98 PolarHBondContact O-N 2.9Å
95E80.6Confident78.6Confident56 Ų5654 Ų5426%0.26227%0.267SS..Hα-helixtrans-56.8-50.7174.3-72.4-170.5106.300111.2I58 I91 T97 I98 L99 L384I58-E95 HydrophobicContact CD1-CG 3.65Å; I91-E95 HydrophobicContact CG2-CG 4.14Å; I91-E95 PolarHBondContact O-N 3.38Å; E95-T97 PolarHBondContact O-N 2.86Å; E95-T97 VanDerWaalsContact O-N 3.11Å; E95-I98 PolarHBondContact O-N 3.3Å; E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 PolarHBondContact O-N 2.93Å; E95-L384 WeakPolarHBondContact OE1-CB 3.26Å; E95-L384 PolarHBondContact OE1-N 3.07Å
96G75.5Confident76.6Confident35 Ų3555 Ų5536%0.36126%0.263SS..Hα-helixtrans-61.7-19.4177.100000114.3H92 R100H92-G96 PolarHBondContact O-N 3.33Å; G96-R100 WeakPolarHBondContact O-CB 3.38Å
97T84.6Confident74.3Confident0 Ų060.7 Ų60.70%029%0.289CS..Hα-helixtrans-84.2-52170.8-48.90000111.5L26 Y28 L53 A93 L94 E95 L99 R100 H101L26-T97 HydrophobicContact CD1-CG2 4.07Å; Y28-T97 WeakPolarHBondContact CD1-OG1 3.36Å; L53-T97 HydrophobicContact CB-CG2 4.43Å; L53-T97 HydrophobicContact CD1-CG2 3.78Å; A93-T97 PolarHBondContact O-N 2.94Å; A93-T97 PolarHBondContact O-OG1 2.97Å; L94-T97 WeakPolarHBondContact O-CA 3.5Å; L94-T97 WeakPolarHBondContact O-CB 3.47Å; L94-T97 PolarHBondContact O-N 3.14Å; L94-T97 VanDerWaalsContact O-N 3.07Å; E95-T97 PolarHBondContact O-N 2.86Å; E95-T97 VanDerWaalsContact O-N 3.11Å; T97-L99 PolarHBondContact O-N 3.13Å; T97-R100 PolarHBondContact O-N 3.08Å; T97-H101 PolarHBondContact O-CD2 3.01Å; T97-H101 VanDerWaalsContact O-CD2 3.27Å; T97-H101 PolarHBondContact O-N 3.05Å
98I81.8Confident72.3Confident22 Ų2262.3 Ų62.311%0.11331%0.308CS..Hα-helixtrans-56.5-50.4-178.9-72.1163.7000110L53 A56 I58 L94 E95 R100 H101 T102L53-I98 HydrophobicContact CB-CG1 3.93Å; L53-I98 HydrophobicContact CD2-CG1 4.48Å; A56-I98 HydrophobicContact CB-CD1 4.37Å; A56-I98 HydrophobicContact CB-CG1 4.35Å; A56-I98 WeakPolarHBondContact O-CG2 3.29Å; I58-I98 HydrophobicContact CD1-CD1 3.97Å; I58-I98 HydrophobicContact CG1-CD1 3.68Å; L94-I98 WeakPolarHBondContact O-CB 3.45Å; L94-I98 VanDerWaalsContact O-CG1 3.25Å; L94-I98 WeakPolarHBondContact O-CG1 3.3Å; L94-I98 PolarHBondContact O-N 2.9Å; E95-I98 PolarHBondContact O-N 3.3Å; I98-R100 PolarHBondContact O-N 2.92Å; I98-H101 PolarHBondContact O-N 3.26Å; I98-T102 VanDerWaalsContact O-CB 3.23Å; I98-T102 WeakPolarHBondContact O-CB 3.24Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.86Å
99L73.1Confident70.3Confident75 Ų7563 Ų6339%0.39331%0.311SS..Hα-helixtrans-60.8-47.4-179.2-175.963.4000110.8E95 T97 H101 T102 L103E95-L99 VanDerWaalsContact O-CB 3.28Å; E95-L99 WeakPolarHBondContact O-CB 3.37Å; E95-L99 PolarHBondContact O-N 2.93Å; T97-L99 PolarHBondContact O-N 3.13Å; L99-H101 PolarHBondContact O-N 3.17Å; L99-T102 CarbonylContact O-C 3.43Å; L99-T102 PolarHBondContact O-N 2.72Å; L99-L103 HydrophobicContact CD1-CD1 3.79Å; L99-L103 HydrophobicContact CD1-CG 3.93Å; L99-L103 HydrophobicContact CD2-CD1 4.48Å; L99-L103 HydrophobicContact CG-CD1 3.8Å; L99-L103 HydrophobicContact CG-CG 4.26Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.01Å
100R76.3Confident68Low117 Ų11763.2 Ų63.244%0.44232%0.322SS..Hα-helixtrans-57-49.8176.6-176.6-174.6-55.1-152.5-4.8112.3G96 T97 I98 T102 L103 Q104G96-R100 WeakPolarHBondContact O-CB 3.38Å; T97-R100 PolarHBondContact O-N 3.08Å; I98-R100 PolarHBondContact O-N 2.92Å; R100-T102 PolarHBondContact O-N 3.16Å; R100-L103 PolarHBondContact O-N 3.05Å; R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 WeakPolarHBondContact O-CG 3.32Å; R100-Q104 PolarHBondContact O-N 3.34Å
101H79.1Confident65.6Low28 Ų2866 Ų6613%0.1335%0.351CS..Hα-helixtrans-75.3-8.9-178.5-77.9-94000113.9Y28 N29 G31 R54 T97 I98 L99Y28-H101 PolarHBondContact O-NE2 3.36Å; N29-H101 PolarHBondContact O-CE1 2.85Å; N29-H101 PolarHBondContact O-NE2 3.3Å; G31-H101 PolarHBondContact N-CE1 2.92Å; G31-H101 VanDerWaalsContact N-CE1 3.29Å; G31-H101 PolarHBondContact N-NE2 2.96Å; R54-H101 HydrophobicContact CB-CB 4.39Å; T97-H101 PolarHBondContact O-CD2 3.01Å; T97-H101 VanDerWaalsContact O-CD2 3.27Å; T97-H101 PolarHBondContact O-N 3.05Å; I98-H101 PolarHBondContact O-N 3.26Å; L99-H101 PolarHBondContact O-N 3.17Å
102T66.5Low63.4Low44 Ų4471.2 Ų71.227%0.2738%0.379SS..Hα-helixtrans-103.3-25.6175.1-51.30000111.8G55 I98 L99 R100 L105G55-T102 PolarHBondContact N-OG1 2.98Å; I98-T102 VanDerWaalsContact O-CB 3.23Å; I98-T102 WeakPolarHBondContact O-CB 3.24Å; I98-T102 PolarHBondContact O-N 3.31Å; I98-T102 PolarHBondContact O-OG1 2.86Å; L99-T102 CarbonylContact O-C 3.43Å; L99-T102 PolarHBondContact O-N 2.72Å; R100-T102 PolarHBondContact O-N 3.16Å; T102-L105 WeakPolarHBondContact O-CB 3.45Å
103L54.5Low61.5Low85 Ų8570.6 Ų70.645%0.44539%0.385SS..Hα-helixtrans-82.4-35.9172-69.9179.1000113.1L99 R100 L105 R106 E107L99-L103 HydrophobicContact CD1-CD1 3.79Å; L99-L103 HydrophobicContact CD1-CG 3.93Å; L99-L103 HydrophobicContact CD2-CD1 4.48Å; L99-L103 HydrophobicContact CG-CD1 3.8Å; L99-L103 HydrophobicContact CG-CG 4.26Å; L99-L103 WeakPolarHBondContact O-CB 3.38Å; L99-L103 WeakPolarHBondContact O-CG 3.47Å; L99-L103 PolarHBondContact O-N 3.01Å; R100-L103 PolarHBondContact O-N 3.05Å; L103-L105 PolarHBondContact O-N 2.89Å; L103-L105 VanDerWaalsContact O-N 3.12Å; L103-R106 WeakPolarHBondContact O-CA 3.38Å; L103-R106 WeakPolarHBondContact O-CB 3.49Å; L103-R106 PolarHBondContact O-N 2.91Å; L103-E107 PolarHBondContact O-N 3.17Å
104Q57.1Low59.8Low100 Ų10074.9 Ų74.947%0.46741%0.412SS..Hα-helixtrans-60.1-20.8167.9-74.3-178.2-40.400112.4R100 A108R100-Q104 WeakPolarHBondContact O-CB 3.39Å; R100-Q104 WeakPolarHBondContact O-CG 3.32Å; R100-Q104 PolarHBondContact O-N 3.34Å; Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 2.87Å; Q104-A108 VanDerWaalsContact O-N 3.15Å
105L48.8Very low58.2Low36 Ų3677 Ų7719%0.18843%0.427CS..Hα-helixtrans-66.7-50.4169.5-136.7178.7000110.4R54 T102 L103 A108 E109R54-L105 HydrophobicContact CG-CD1 4.11Å; R54-L105 VanDerWaalsContact NH2-CD2 3.32Å; R54-L105 VanDerWaalsContact NH2-CG 3.31Å; T102-L105 WeakPolarHBondContact O-CB 3.45Å; L103-L105 PolarHBondContact O-N 2.89Å; L103-L105 VanDerWaalsContact O-N 3.12Å; L105-A108 PolarHBondContact O-N 2.87Å; L105-E109 HydrophobicContact CD2-CG 4.05Å; L105-E109 WeakPolarHBondContact CD2-OE1 3.28Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.36Å; L105-E109 WeakPolarHBondContact O-CB 3.31Å; L105-E109 WeakPolarHBondContact O-CG 3.31Å; L105-E109 PolarHBondContact O-N 2.82Å
106R45.3Very low57.3Low124 Ų12476.8 Ų76.847%0.46843%0.43SS..Hα-helixtrans-62.2-41.3173.8-92.8-171.6170.9-164.9-3.2112.9L103 A108 E109 T110 H377L103-R106 WeakPolarHBondContact O-CA 3.38Å; L103-R106 WeakPolarHBondContact O-CB 3.49Å; L103-R106 PolarHBondContact O-N 2.91Å; R106-A108 VanDerWaalsContact C-N 3.29Å; R106-A108 PolarHBondContact O-N 3.45Å; R106-E109 PolarHBondContact O-N 3.24Å; R106-T110 WeakPolarHBondContact O-CB 3.47Å; R106-T110 WeakPolarHBondContact O-CG2 3.45Å; R106-T110 PolarHBondContact O-N 3.11Å; R106-T110 PolarHBondContact O-OG1 2.85Å; R106-H377 PolarHBondContact NH2-CE1 2.79Å; R106-H377 VanDerWaalsContact NH2-CE1 3.31Å; R106-H377 PolarHBondContact NH2-NE2 2.71Å
107E40.1Very low56.7Low139 Ų13982.8 Ų82.865%0.6545%0.448SS*.Hα-helixtrans-64.1-34.4176.6-68.218014200112.1L103 G111L103-E107 PolarHBondContact O-N 3.17Å; E107-G111 PolarHBondContact O-N 2.73Å
108A46.2Very low55.7Low59 Ų5986.3 Ų86.349%0.48847%0.467SS..Hα-helixtrans-75.4-28.2174.600000113.9Q104 L105 R106Q104-A108 WeakPolarHBondContact O-CB 3.48Å; Q104-A108 PolarHBondContact O-N 2.87Å; Q104-A108 VanDerWaalsContact O-N 3.15Å; L105-A108 PolarHBondContact O-N 2.87Å; R106-A108 VanDerWaalsContact C-N 3.29Å; R106-A108 PolarHBondContact O-N 3.45Å
109E41.7Very low55.1Low131 Ų13188.8 Ų88.861%0.61248%0.477SS*.Hα-helixtrans-91.5-30.3-179.3-72.2175166.900113.2L105 R106L105-E109 HydrophobicContact CD2-CG 4.05Å; L105-E109 WeakPolarHBondContact CD2-OE1 3.28Å; L105-E109 WeakPolarHBondContact CD2-OE2 3.36Å; L105-E109 WeakPolarHBondContact O-CB 3.31Å; L105-E109 WeakPolarHBondContact O-CG 3.31Å; L105-E109 PolarHBondContact O-N 2.82Å; R106-E109 PolarHBondContact O-N 3.24Å
110T40.9Very low55.1Low114 Ų11487.9 Ų87.970%0.69947%0.473SS*.Hα-helixtrans-84.9-19.2173.2580000113.1R106 L112R106-T110 WeakPolarHBondContact O-CB 3.47Å; R106-T110 WeakPolarHBondContact O-CG2 3.45Å; R106-T110 PolarHBondContact O-N 3.11Å; R106-T110 PolarHBondContact O-OG1 2.85Å; T110-L112 VanDerWaalsContact C-N 3.28Å; T110-L112 PolarHBondContact O-N 2.84Å
111G40.5Very low55.1Low60 Ų6089 Ų8962%0.61948%0.481SS*.SBendtrans-78.4-3.917300000115E107E107-G111 PolarHBondContact O-N 2.73Å
112L41.3Very low54.9Low118 Ų11893.7 Ų93.762%0.61850%0.5SS*.  trans-125.482.1-178-74.6173.1000111.7T110 P114T110-L112 VanDerWaalsContact C-N 3.28Å; T110-L112 PolarHBondContact O-N 2.84Å; L112-P114 VanDerWaalsContact O-CD 3.27Å; L112-P114 WeakPolarHBondContact O-CD 3.45Å
113V41.2Very low55.5Low133 Ų13392 Ų9281%0.80649%0.49SS*.  trans-65.9114142.3178.10000105.6S115V113-S115 PolarHBondContact O-N 2.96Å
114P50.8Low56.7Low97 Ų9790.8 Ų90.863%0.6349%0.492SS*.  trans-62.7124.6-179.1-19.633.1000108.7L112L112-P114 VanDerWaalsContact O-CD 3.27Å; L112-P114 WeakPolarHBondContact O-CD 3.45Å
115S55.5Low57.8Low44 Ų4489.2 Ų89.231%0.30849%0.485SS..  trans-69.9156.4178.675.90000110V113 Q117 D118 F119V113-S115 PolarHBondContact O-N 2.96Å; S115-Q117 PolarHBondContact O-N 3.08Å; S115-Q117 VanDerWaalsContact O-N 3.1Å; S115-Q117 WeakPolarHBondContact OG-CB 3.42Å; S115-Q117 PolarHBondContact OG-N 2.81Å; S115-D118 WeakPolarHBondContact CB-OD2 3.21Å; S115-D118 PolarHBondContact N-OD2 2.84Å; S115-D118 PolarHBondContact O-N 2.93Å; S115-D118 PolarHBondContact OG-N 3.15Å; S115-D118 VanDerWaalsContact OG-N 3.07Å; S115-D118 PolarHBondContact OG-OD2 3.19Å; S115-F119 PolarHBondContact O-N 3.48Å; S115-F119 VanDerWaalsContact O-N 3.08Å
116V62.9Low59.2Low52 Ų5289 Ų8932%0.31549%0.488SS..Hα-helixtrans-55.9-28.4170.6-175.50000110.5D120V116-D120 VanDerWaalsContact O-CB 3.28Å; V116-D120 WeakPolarHBondContact O-CB 3.34Å; V116-D120 VanDerWaalsContact O-CG 3.29Å; V116-D120 PolarHBondContact O-N 2.86Å
117Q62.6Low60.8Low161 Ų16186.7 Ų86.775%0.75249%0.485SS*.Hα-helixtrans-71.3-32.5175.5-55.8-179.50.500113S115 K121S115-Q117 PolarHBondContact O-N 3.08Å; S115-Q117 VanDerWaalsContact O-N 3.1Å; S115-Q117 WeakPolarHBondContact OG-CB 3.42Å; S115-Q117 PolarHBondContact OG-N 2.81Å; Q117-K121 WeakPolarHBondContact O-CB 3.44Å; Q117-K121 PolarHBondContact O-N 3.17Å
118D64.2Low62.8Low73 Ų7382.7 Ų82.739%0.3948%0.475SS..Hα-helixtrans-73.4-38.5174.2-64.9-66000111.5S115 K122S115-D118 WeakPolarHBondContact CB-OD2 3.21Å; S115-D118 PolarHBondContact N-OD2 2.84Å; S115-D118 PolarHBondContact O-N 2.93Å; S115-D118 PolarHBondContact OG-N 3.15Å; S115-D118 VanDerWaalsContact OG-N 3.07Å; S115-D118 PolarHBondContact OG-OD2 3.19Å; D118-K122 WeakPolarHBondContact O-CB 3.15Å; D118-K122 WeakPolarHBondContact O-CG 3.21Å; D118-K122 PolarHBondContact O-N 2.64Å
119F69.4Low64.4Low75 Ų7586.7 Ų86.733%0.32948%0.479SS..Hα-helixtrans-62.2-49.6171.4-170.9-84.7000110.9S115 K121 K122 L123 L177 K181S115-F119 PolarHBondContact O-N 3.48Å; S115-F119 VanDerWaalsContact O-N 3.08Å; F119-K121 VanDerWaalsContact C-N 3.33Å; F119-K121 PolarHBondContact O-N 2.91Å; F119-K122 CarbonylContact O-C 3.51Å; F119-K122 PolarHBondContact O-N 2.9Å; F119-K122 VanDerWaalsContact O-N 3.07Å; F119-L123 HydrophobicContact CE1-CD2 4.23Å; F119-L123 PolarHBondContact O-N 3.09Å; F119-L177 HydrophobicContact CE2-CD2 4.06Å; F119-L177 HydrophobicContact CZ-CB 4.04Å; F119-L177 HydrophobicContact CZ-CD2 3.81Å; F119-K181 HydrophobicContact CD1-CB 4.33Å; F119-K181 HydrophobicContact CE1-CB 3.83Å
120D71.3Confident66.5Low56 Ų5681.2 Ų81.230%0.29945%0.454SS..Hα-helixtrans-59.1-42.4177.5-83.912.7000112.6V116 K122 L123 A124 K181V116-D120 VanDerWaalsContact O-CB 3.28Å; V116-D120 WeakPolarHBondContact O-CB 3.34Å; V116-D120 VanDerWaalsContact O-CG 3.29Å; V116-D120 PolarHBondContact O-N 2.86Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 2.91Å; D120-L123 PolarHBondContact O-N 2.84Å; D120-A124 WeakPolarHBondContact O-CB 3.5Å; D120-A124 PolarHBondContact O-N 3.03Å; D120-K181 VanDerWaalsContact OD1-CD 3.31Å; D120-K181 WeakPolarHBondContact OD1-CD 3.45Å; D120-K181 WeakPolarHBondContact OD1-CE 3.47Å; D120-K181 IonicContact OD1-NZ 2.87Å; D120-K181 PolarHBondContact OD1-NZ 2.57Å; D120-K181 IonicContact OD2-NZ 2.68Å; D120-K181 PolarHBondContact OD2-NZ 2.6Å
121K77.2Confident68.5Low141 Ų14180 Ų8061%0.61344%0.44SS*.Hα-helixtrans-61.6-40.2174.5-179.1179.2177.9-176.40111.7Q117 F119 E125Q117-K121 WeakPolarHBondContact O-CB 3.44Å; Q117-K121 PolarHBondContact O-N 3.17Å; F119-K121 VanDerWaalsContact C-N 3.33Å; F119-K121 PolarHBondContact O-N 2.91Å; K121-E125 VanDerWaalsContact O-CB 3.27Å; K121-E125 WeakPolarHBondContact O-CB 3.37Å; K121-E125 PolarHBondContact O-N 2.87Å
122K75Confident70.6Confident125 Ų12581.7 Ų81.754%0.54343%0.434SS..Hα-helixtrans-73.5-32.2177.1-79.3-72.4166.4-157.60113.4D118 F119 D120 E125 A126D118-K122 WeakPolarHBondContact O-CB 3.15Å; D118-K122 WeakPolarHBondContact O-CG 3.21Å; D118-K122 PolarHBondContact O-N 2.64Å; F119-K122 CarbonylContact O-C 3.51Å; F119-K122 PolarHBondContact O-N 2.9Å; F119-K122 VanDerWaalsContact O-N 3.07Å; D120-K122 VanDerWaalsContact C-N 3.32Å; D120-K122 PolarHBondContact O-N 2.91Å; K122-E125 WeakPolarHBondContact CE-OE2 3.45Å; K122-E125 IonicContact NZ-OE1 3.7Å; K122-E125 PolarHBondContact NZ-OE1 2.65Å; K122-E125 IonicContact NZ-OE2 3.34Å; K122-E125 PolarHBondContact NZ-OE2 2.83Å; K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 2.98Å
123L79.3Confident72.5Confident10 Ų1078.3 Ų78.35%0.05242%0.416CS..Hα-helixtrans-68.8-46.2173.6-169.758.9000111F119 D120 E125 A126 D127 I174 L177 Q178 K181F119-L123 HydrophobicContact CE1-CD2 4.23Å; F119-L123 PolarHBondContact O-N 3.09Å; D120-L123 PolarHBondContact O-N 2.84Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.3Å; L123-A126 WeakPolarHBondContact O-CB 3.44Å; L123-A126 PolarHBondContact O-N 3.13Å; L123-A126 VanDerWaalsContact O-N 3.1Å; L123-D127 PolarHBondContact O-N 2.84Å; L123-I174 HydrophobicContact CD1-CG2 4.13Å; L123-L177 HydrophobicContact CD1-CB 3.82Å; L123-L177 HydrophobicContact CD1-CD1 4.31Å; L123-Q178 HydrophobicContact CD2-CB 4.46Å; L123-K181 HydrophobicContact CD2-CD 4.32Å
124A79.4Confident74.5Confident59 Ų5974.1 Ų74.149%0.48839%0.389SS..Hα-helixtrans-63.5-33.4174.200000113.1D120 A128D120-A124 WeakPolarHBondContact O-CB 3.5Å; D120-A124 PolarHBondContact O-N 3.03Å; A124-A128 WeakPolarHBondContact O-CB 3Å; A124-A128 PolarHBondContact O-N 3.31Å
125E79.8Confident76Confident67 Ų6772.6 Ų72.631%0.31338%0.375SS..Hα-helixtrans-66.6-39.9171.7-174.1-179.5147.800111.5K121 K122 L123 A128 Y129K121-E125 VanDerWaalsContact O-CB 3.27Å; K121-E125 WeakPolarHBondContact O-CB 3.37Å; K121-E125 PolarHBondContact O-N 2.87Å; K122-E125 WeakPolarHBondContact CE-OE2 3.45Å; K122-E125 IonicContact NZ-OE1 3.7Å; K122-E125 PolarHBondContact NZ-OE1 2.65Å; K122-E125 IonicContact NZ-OE2 3.34Å; K122-E125 PolarHBondContact NZ-OE2 2.83Å; L123-E125 VanDerWaalsContact C-N 3.3Å; L123-E125 PolarHBondContact O-N 3.3Å; E125-A128 PolarHBondContact O-N 2.87Å; E125-Y129 HydrophobicContact CG-CD2 4.14Å; E125-Y129 HydrophobicContact CG-CE2 3.68Å; E125-Y129 WeakPolarHBondContact O-CD2 3.35Å; E125-Y129 PolarHBondContact O-N 2.76Å; E125-Y129 VanDerWaalsContact O-N 3.1Å
126A78.5Confident77.2Confident30 Ų3075.2 Ų75.225%0.24838%0.383CS..Hα-helixtrans-66.6-42.3174.200000112.6K122 L123 A128 Y129 L130 I174K122-A126 WeakPolarHBondContact O-CB 3.29Å; K122-A126 PolarHBondContact O-N 2.98Å; L123-A126 WeakPolarHBondContact O-CB 3.44Å; L123-A126 PolarHBondContact O-N 3.13Å; L123-A126 VanDerWaalsContact O-N 3.1Å; A126-A128 PolarHBondContact O-N 3.11Å; A126-Y129 PolarHBondContact O-N 3.02Å; A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 PolarHBondContact O-N 2.82Å; A126-I174 HydrophobicContact CB-CD1 4.09Å; A126-I174 HydrophobicContact CB-CG1 4.19Å
127D79.6Confident78.2Confident77 Ų7774 Ų7441%0.41237%0.374SS..Hα-helixtrans-60.7-42.3173.4-83.3-33.6000112L123 Y129 L130 Q131 I174L123-D127 PolarHBondContact O-N 2.84Å; D127-Y129 VanDerWaalsContact C-N 3.34Å; D127-Y129 PolarHBondContact O-N 3.48Å; D127-L130 PolarHBondContact O-N 3.09Å; D127-Q131 WeakPolarHBondContact O-CB 3.45Å; D127-Q131 PolarHBondContact O-N 3.37Å; D127-I174 WeakPolarHBondContact OD1-CG2 3.32Å
128A82.5Confident79.1Confident54 Ų5471.5 Ų71.545%0.44636%0.361SS..Hα-helixtrans-61.8-41.3175.700000112A124 E125 A126 Q131 I132A124-A128 WeakPolarHBondContact O-CB 3Å; A124-A128 PolarHBondContact O-N 3.31Å; E125-A128 PolarHBondContact O-N 2.87Å; A126-A128 PolarHBondContact O-N 3.11Å; A128-Q131 PolarHBondContact O-N 3.15Å; A128-I132 WeakPolarHBondContact O-CG1 3.44Å; A128-I132 PolarHBondContact O-N 2.88Å; A128-I132 VanDerWaalsContact O-N 3.09Å
129Y78.9Confident80Confident143 Ų14371.3 Ų71.356%0.56136%0.359SS*.Hα-helixtrans-69.4-37.8174.5-72.8-52.6000113E125 A126 D127 Q131 I132 L133E125-Y129 HydrophobicContact CG-CD2 4.14Å; E125-Y129 HydrophobicContact CG-CE2 3.68Å; E125-Y129 WeakPolarHBondContact O-CD2 3.35Å; E125-Y129 PolarHBondContact O-N 2.76Å; E125-Y129 VanDerWaalsContact O-N 3.1Å; A126-Y129 PolarHBondContact O-N 3.02Å; D127-Y129 VanDerWaalsContact C-N 3.34Å; D127-Y129 PolarHBondContact O-N 3.48Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Y129-I132 HydrophobicContact CD1-CD1 4.26Å; Y129-I132 PolarHBondContact O-N 3.1Å; Y129-L133 WeakPolarHBondContact O-CG 3.36Å; Y129-L133 PolarHBondContact O-N 2.75Å
130L85Confident80.5Confident17 Ų1769.5 Ų69.59%0.08935%0.352CS..Hα-helixtrans-60.2-44.2172.4171.661.4000111.1A126 D127 I132 L133 I134 V167 I170 K171 I174A126-L130 WeakPolarHBondContact O-CB 3.37Å; A126-L130 PolarHBondContact O-N 2.82Å; D127-L130 PolarHBondContact O-N 3.09Å; L130-I132 PolarHBondContact O-N 3.39Å; L130-L133 PolarHBondContact O-N 2.91Å; L130-I134 HydrophobicContact CD1-CD1 3.94Å; L130-I134 HydrophobicContact CD1-CG1 4.2Å; L130-I134 HydrophobicContact CG-CD1 3.91Å; L130-I134 WeakPolarHBondContact O-CG1 3.36Å; L130-I134 PolarHBondContact O-N 3.25Å; L130-V167 HydrophobicContact CD1-CG1 3.97Å; L130-I170 HydrophobicContact CB-CG2 4.3Å; L130-I170 HydrophobicContact CD1-CG2 4.14Å; L130-K171 HydrophobicContact CD1-CG 3.97Å; L130-K171 HydrophobicContact CD2-CG 3.75Å; L130-I174 HydrophobicContact CB-CD1 3.99Å; L130-I174 HydrophobicContact CD2-CD1 3.79Å; L130-I174 HydrophobicContact CG-CD1 4.48Å
131Q83.4Confident81Confident89 Ų8970.6 Ų70.642%0.41636%0.358SS..Hα-helixtrans-63-42.6177.8-175.553.15300111.7D127 A128 Y129 L133 I134 D135D127-Q131 WeakPolarHBondContact O-CB 3.45Å; D127-Q131 PolarHBondContact O-N 3.37Å; A128-Q131 PolarHBondContact O-N 3.15Å; Y129-Q131 VanDerWaalsContact C-N 3.35Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 2.85Å; Q131-I134 PolarHBondContact O-N 2.79Å; Q131-D135 VanDerWaalsContact NE2-CG 3.3Å; Q131-D135 PolarHBondContact NE2-OD1 3.18Å; Q131-D135 PolarHBondContact NE2-OD2 2.87Å; Q131-D135 PolarHBondContact O-N 2.8Å
132I84.8Confident81.2Confident95 Ų9569.7 Ų69.749%0.48736%0.355SS..Hα-helixtrans-59-42.7173.5-69.1164.1000111.2A128 Y129 L130 D135 Q136A128-I132 WeakPolarHBondContact O-CG1 3.44Å; A128-I132 PolarHBondContact O-N 2.88Å; A128-I132 VanDerWaalsContact O-N 3.09Å; Y129-I132 HydrophobicContact CD1-CD1 4.26Å; Y129-I132 PolarHBondContact O-N 3.1Å; L130-I132 PolarHBondContact O-N 3.39Å; I132-D135 PolarHBondContact O-N 2.84Å; I132-Q136 WeakPolarHBondContact O-CG 3.24Å; I132-Q136 PolarHBondContact O-N 3.03Å
133L80.6Confident81.3Confident47 Ų4769.6 Ų69.625%0.24636%0.355CS..Hα-helixtrans-65-40.7176.7-72170.4000112.3Y129 L130 Q131 D135 Q136 L137 M166 V167 I170Y129-L133 WeakPolarHBondContact O-CG 3.36Å; Y129-L133 PolarHBondContact O-N 2.75Å; L130-L133 PolarHBondContact O-N 2.91Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 2.85Å; L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.49Å; L133-Q136 PolarHBondContact O-N 3.14Å; L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 PolarHBondContact O-N 2.68Å; L133-M166 HydrophobicContact CD1-CE 4.33Å; L133-M166 HydrophobicContact CD2-CE 4.03Å; L133-V167 HydrophobicContact CB-CG2 3.96Å; L133-I170 HydrophobicContact CD1-CD1 3.61Å
134I84.3Confident81.4Confident45 Ų4570.4 Ų70.423%0.23136%0.359CS..Hα-helixtrans-60.9-40174.5-72166.5000111L130 Q131 L137 K138 V167L130-I134 HydrophobicContact CD1-CD1 3.94Å; L130-I134 HydrophobicContact CD1-CG1 4.2Å; L130-I134 HydrophobicContact CG-CD1 3.91Å; L130-I134 WeakPolarHBondContact O-CG1 3.36Å; L130-I134 PolarHBondContact O-N 3.25Å; Q131-I134 PolarHBondContact O-N 2.79Å; I134-L137 WeakPolarHBondContact O-CB 3.38Å; I134-L137 PolarHBondContact O-N 2.83Å; I134-K138 PolarHBondContact O-N 2.87Å; I134-V167 HydrophobicContact CG1-CG1 4.11Å
135D82.8Confident81.4Confident64 Ų6476.2 Ų76.234%0.34237%0.373SS..Hα-helixtrans-74.5-34.7178.4-68.8-38.4000112.9Q131 I132 L133 L137 K138 L139Q131-D135 VanDerWaalsContact NE2-CG 3.3Å; Q131-D135 PolarHBondContact NE2-OD1 3.18Å; Q131-D135 PolarHBondContact NE2-OD2 2.87Å; Q131-D135 PolarHBondContact O-N 2.8Å; I132-D135 PolarHBondContact O-N 2.84Å; L133-D135 VanDerWaalsContact C-N 3.31Å; L133-D135 PolarHBondContact O-N 3.49Å; D135-L137 PolarHBondContact O-N 3.1Å; D135-K138 PolarHBondContact O-N 3.31Å; D135-K138 WeakPolarHBondContact OD1-CE 3.25Å; D135-K138 IonicContact OD1-NZ 2.7Å; D135-K138 PolarHBondContact OD1-NZ 2.68Å; D135-L139 PolarHBondContact O-N 3.26Å
136Q80.3Confident81.3Confident99 Ų9979.2 Ų79.246%0.46339%0.391SS..Hα-helixtrans-61.4-33.2167-69.7-59.2-57.200112.1I132 L133 L139 F140I132-Q136 WeakPolarHBondContact O-CG 3.24Å; I132-Q136 PolarHBondContact O-N 3.03Å; L133-Q136 PolarHBondContact O-N 3.14Å; Q136-L139 WeakPolarHBondContact O-CB 3.37Å; Q136-L139 PolarHBondContact O-N 2.79Å; Q136-F140 PolarHBondContact O-N 2.73Å
137L82.9Confident81.3Confident26 Ų2678.9 Ų78.914%0.13639%0.387CS..Hα-helixtrans-68.1-35.6178.9-149.3154.2000111.8L133 I134 D135 F140 K160 T163 C164 V167L133-L137 WeakPolarHBondContact O-CB 3.46Å; L133-L137 PolarHBondContact O-N 2.68Å; I134-L137 WeakPolarHBondContact O-CB 3.38Å; I134-L137 PolarHBondContact O-N 2.83Å; D135-L137 PolarHBondContact O-N 3.1Å; L137-F140 WeakPolarHBondContact O-CB 3.29Å; L137-F140 PolarHBondContact O-N 2.96Å; L137-K160 HydrophobicContact CD2-CD 4.41Å; L137-K160 VanDerWaalsContact CD2-CE 3.47Å; L137-K160 HydrophobicContact CD2-CG 3.99Å; L137-K160 HydrophobicContact CG-CG 4.45Å; L137-T163 HydrophobicContact CD1-CG2 4.13Å; L137-C164 HydrophobicContact CD1-CB 4.49Å; L137-V167 HydrophobicContact CD1-CB 4.5Å; L137-V167 HydrophobicContact CD1-CG2 4.12Å
138K82.9Confident81.2Confident110 Ų11084.7 Ų84.748%0.47841%0.409SS..Hα-helixtrans-63-39.1171-62.4168.1-168.81670112.1I134 D135 F140 D141 E142I134-K138 PolarHBondContact O-N 2.87Å; D135-K138 PolarHBondContact O-N 3.31Å; D135-K138 WeakPolarHBondContact OD1-CE 3.25Å; D135-K138 IonicContact OD1-NZ 2.7Å; D135-K138 PolarHBondContact OD1-NZ 2.68Å; K138-F140 PolarHBondContact O-N 3.08Å; K138-D141 PolarHBondContact O-N 3.28Å; K138-E142 PolarHBondContact O-N 3.48Å
139L81.5Confident81.4Confident68 Ų6888.3 Ų88.336%0.35642%0.416SS..Hα-helixtrans-65.2-20.3176-63.7175000113.1D135 Q136 K143D135-L139 PolarHBondContact O-N 3.26Å; Q136-L139 WeakPolarHBondContact O-CB 3.37Å; Q136-L139 PolarHBondContact O-N 2.79Å; L139-K143 WeakPolarHBondContact O-CB 3.33Å; L139-K143 VanDerWaalsContact O-CG 3.31Å; L139-K143 WeakPolarHBondContact O-CG 3.11Å; L139-K143 PolarHBondContact O-N 2.9Å
140F81Confident81.3Confident38 Ų3886.5 Ų86.517%0.16742%0.416CS..Hα-helixtrans-73-38.2169.4-74.8-54.4000112.4Q136 L137 K138 K143 I144 I156 L159 K160Q136-F140 PolarHBondContact O-N 2.73Å; L137-F140 WeakPolarHBondContact O-CB 3.29Å; L137-F140 PolarHBondContact O-N 2.96Å; K138-F140 PolarHBondContact O-N 3.08Å; F140-K143 PolarHBondContact O-N 3.46Å; F140-I144 WeakPolarHBondContact O-CB 3.34Å; F140-I144 WeakPolarHBondContact O-CD1 3.42Å; F140-I144 VanDerWaalsContact O-CG1 3.22Å; F140-I144 WeakPolarHBondContact O-CG1 3.13Å; F140-I144 PolarHBondContact O-N 3.11Å; F140-I156 HydrophobicContact CB-CG2 4.43Å; F140-I156 HydrophobicContact CD1-CG2 3.67Å; F140-I156 HydrophobicContact CE1-CG2 4.39Å; F140-I156 HydrophobicContact CG-CG2 4.44Å; F140-L159 HydrophobicContact CE1-CD2 3.8Å; F140-L159 HydrophobicContact CE1-CG 4.27Å; F140-L159 HydrophobicContact CE2-CG 4.49Å; F140-L159 HydrophobicContact CZ-CD2 3.67Å; F140-L159 HydrophobicContact CZ-CG 3.86Å; F140-K160 HydrophobicContact CB-CB 4.2Å; F140-K160 HydrophobicContact CB-CD 4.46Å; F140-K160 HydrophobicContact CB-CG 4.07Å; F140-K160 HydrophobicContact CG-CB 4.47Å
141D80.7Confident81.1Confident79 Ų7992 Ų9242%0.42244%0.442SS..Hα-helixtrans-63.7-40.6175.8-82.7-50.6000112.3K138 I144 K145 K160K138-D141 PolarHBondContact O-N 3.28Å; D141-I144 PolarHBondContact O-N 2.95Å; D141-K145 WeakPolarHBondContact O-CB 3.24Å; D141-K145 PolarHBondContact O-N 3.35Å; D141-K145 VanDerWaalsContact O-N 3.12Å; D141-K160 IonicContact OD1-NZ 2.66Å; D141-K160 PolarHBondContact OD1-NZ 2.68Å; D141-K160 VanDerWaalsContact OD2-CE 3.25Å; D141-K160 WeakPolarHBondContact OD2-CE 3.41Å; D141-K160 IonicContact OD2-NZ 2.64Å; D141-K160 PolarHBondContact OD2-NZ 3.34Å
142E81.8Confident80.8Confident121 Ų12189.6 Ų89.657%0.56544%0.435SS*.Hα-helixtrans-62.9-44.4173.9-63.9-175.6155.800111.5K138 K145 D146K138-E142 PolarHBondContact O-N 3.48Å; E142-K145 WeakPolarHBondContact O-CB 3.44Å; E142-K145 PolarHBondContact O-N 3.17Å; E142-D146 PolarHBondContact O-N 2.87Å; E142-D146 VanDerWaalsContact O-N 3.12Å
143K78.3Confident80.7Confident123 Ų12388 Ų8854%0.53542%0.423SS..Hα-helixtrans-66.6-35.6176.8-76.1174-179.1171.60113.9L139 F140 K145 C147L139-K143 WeakPolarHBondContact O-CB 3.33Å; L139-K143 VanDerWaalsContact O-CG 3.31Å; L139-K143 WeakPolarHBondContact O-CG 3.11Å; L139-K143 PolarHBondContact O-N 2.9Å; F140-K143 PolarHBondContact O-N 3.46Å; K143-K145 VanDerWaalsContact C-N 3.32Å; K143-C147 VanDerWaalsContact O-CB 3.24Å; K143-C147 WeakPolarHBondContact O-CB 3.19Å; K143-C147 PolarHBondContact O-N 2.78Å
144I80.9Confident80.8Confident27 Ų2794 Ų9414%0.13844%0.442CS..Hα-helixtrans-63.6-41.9175.4-74.2164.3000110F140 D141 C147 R153 I156 E157 K160F140-I144 WeakPolarHBondContact O-CB 3.34Å; F140-I144 WeakPolarHBondContact O-CD1 3.42Å; F140-I144 VanDerWaalsContact O-CG1 3.22Å; F140-I144 WeakPolarHBondContact O-CG1 3.13Å; F140-I144 PolarHBondContact O-N 3.11Å; D141-I144 PolarHBondContact O-N 2.95Å; I144-C147 PolarHBondContact O-N 3.25Å; I144-R153 HydrophobicContact CG2-CG 3.92Å; I144-I156 HydrophobicContact CD1-CG2 4.1Å; I144-I156 HydrophobicContact CG1-CB 4.08Å; I144-I156 HydrophobicContact CG1-CG2 3.59Å; I144-E157 HydrophobicContact CD1-CG 3.92Å; I144-E157 HydrophobicContact CG1-CG 4.23Å; I144-E157 HydrophobicContact CG2-CG 4.45Å; I144-K160 HydrophobicContact CD1-CD 4.03Å
145K79.3Confident80.7Confident182 Ų18297.9 Ų97.979%0.79146%0.457SS*.Hα-helixtrans-65.7-38.5179.5-173.5-178.6178.3-173.90113.3D141 E142 K143D141-K145 WeakPolarHBondContact O-CB 3.24Å; D141-K145 PolarHBondContact O-N 3.35Å; D141-K145 VanDerWaalsContact O-N 3.12Å; E142-K145 WeakPolarHBondContact O-CB 3.44Å; E142-K145 PolarHBondContact O-N 3.17Å; K143-K145 VanDerWaalsContact C-N 3.32Å
146D77.8Confident80.7Confident129 Ų12996.7 Ų96.769%0.6945%0.45SS*.Hα-helixtrans-86.2-11.8178.7-74.4-10.1000113.8E142 K148E142-D146 PolarHBondContact O-N 2.87Å; E142-D146 VanDerWaalsContact O-N 3.12Å; D146-K148 PolarHBondContact O-N 3.27Å
147C78.6Confident80.9Confident24 Ų2495.6 Ų95.616%0.16245%0.445CS..  trans-75.3118-178.9-171.60000112.6K143 I144 E149 R153 I156K143-C147 VanDerWaalsContact O-CB 3.24Å; K143-C147 WeakPolarHBondContact O-CB 3.19Å; K143-C147 PolarHBondContact O-N 2.78Å; I144-C147 PolarHBondContact O-N 3.25Å; C147-E149 PolarHBondContact SG-O 2.79Å; C147-E149 VanDerWaalsContact SG-O 3.41Å; C147-R153 HydrophobicContact CB-CB 4.35Å; C147-R153 HydrophobicContact CB-CG 4.33Å; C147-R153 PolarHBondContact O-NE 3.32Å; C147-R153 VanDerWaalsContact O-NE 3.17Å; C147-R153 PolarHBondContact O-NH2 2.87Å; C147-I156 HydrophobicContact CB-CD1 4.41Å
148K77.8Confident81Confident199 Ų19999.2 Ų99.287%0.86547%0.465SS*.  trans-91-14.7-177-64.3-178.4-178.1176.30115D146D146-K148 PolarHBondContact O-N 3.27Å
149E85.9Confident80.9Confident129 Ų12998.2 Ų98.260%0.60346%0.464SS*.  trans-100.2130.2178.2-67176.6155.700111.1C147 S152 R153C147-E149 PolarHBondContact SG-O 2.79Å; C147-E149 VanDerWaalsContact SG-O 3.41Å; E149-S152 PolarHBondContact O-N 3.24Å; E149-S152 PolarHBondContact OE2-OG 2.97Å; E149-R153 WeakPolarHBondContact O-CB 3.15Å; E149-R153 PolarHBondContact O-N 3.49Å
150D77.5Confident81Confident105 Ų10597.2 Ų97.256%0.56146%0.457SS*.Hα-helixtrans-69.7-35.6-175.1-64.2-21.9000113.4R153 R154D150-R153 PolarHBondContact O-N 3.33Å; D150-R153 IonicContact OD1-CZ 3.57Å; D150-R153 IonicContact OD1-NH1 3.28Å; D150-R153 PolarHBondContact OD1-NH1 3.12Å; D150-R153 IonicContact OD1-NH2 3.22Å; D150-R153 PolarHBondContact OD1-NH2 2.99Å; D150-R154 WeakPolarHBondContact O-CG 3.35Å; D150-R154 PolarHBondContact O-N 2.99Å
151E79.9Confident81.2Confident133 Ų133102 Ų10262%0.62148%0.48SS*.Hα-helixtrans-69.7-40.1177.4-160.8-166.3138.800111.5K155E151-K155 WeakPolarHBondContact O-CG 3.4Å; E151-K155 PolarHBondContact O-N 3.31Å; E151-K155 VanDerWaalsContact OE1-CE 3.27Å; E151-K155 WeakPolarHBondContact OE1-CE 3.47Å; E151-K155 IonicContact OE1-NZ 2.59Å; E151-K155 PolarHBondContact OE1-NZ 3Å
152S77.4Confident81.2Confident38 Ų38102.7 Ų102.727%0.26649%0.487SS..Hα-helixtrans-66.6-39.5174.5-59.60000111E149 K155 I156E149-S152 PolarHBondContact O-N 3.24Å; E149-S152 PolarHBondContact OE2-OG 2.97Å; S152-K155 PolarHBondContact O-N 2.89Å; S152-I156 WeakPolarHBondContact O-CG1 3.24Å; S152-I156 PolarHBondContact O-N 2.85Å
153R82.1Confident81.2Confident62 Ų6297.9 Ų97.923%0.23447%0.466CS..Hα-helixtrans-62.6-48.3176-157.9-175.6-54.5104.210.3111.9I144 C147 E149 D150 K155 I156 E157I144-R153 HydrophobicContact CG2-CG 3.92Å; C147-R153 HydrophobicContact CB-CB 4.35Å; C147-R153 HydrophobicContact CB-CG 4.33Å; C147-R153 PolarHBondContact O-NE 3.32Å; C147-R153 VanDerWaalsContact O-NE 3.17Å; C147-R153 PolarHBondContact O-NH2 2.87Å; E149-R153 WeakPolarHBondContact O-CB 3.15Å; E149-R153 PolarHBondContact O-N 3.49Å; D150-R153 PolarHBondContact O-N 3.33Å; D150-R153 IonicContact OD1-CZ 3.57Å; D150-R153 IonicContact OD1-NH1 3.28Å; D150-R153 PolarHBondContact OD1-NH1 3.12Å; D150-R153 IonicContact OD1-NH2 3.22Å; D150-R153 PolarHBondContact OD1-NH2 2.99Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 2.91Å; R153-I156 WeakPolarHBondContact O-CA 3.26Å; R153-I156 PolarHBondContact O-N 2.96Å; R153-E157 WeakPolarHBondContact CD-OE1 3.18Å; R153-E157 WeakPolarHBondContact CG-OE1 3.3Å; R153-E157 WeakPolarHBondContact O-CG 3.4Å; R153-E157 PolarHBondContact O-N 2.59Å
154R82.8Confident81.4Confident174 Ų17494.2 Ų94.266%0.65746%0.455SS*.Hα-helixtrans-57.4-37.6176.6-75.6179.7-179.6-172.81.5113.7D150 I156 E157 N158D150-R154 WeakPolarHBondContact O-CG 3.35Å; D150-R154 PolarHBondContact O-N 2.99Å; R154-I156 VanDerWaalsContact C-N 3.32Å; R154-I156 PolarHBondContact O-N 2.81Å; R154-E157 WeakPolarHBondContact CA-OE2 3.32Å; R154-E157 PolarHBondContact O-N 2.87Å; R154-N158 PolarHBondContact O-N 3.47Å; R154-N158 PolarHBondContact O-OD1 3.37Å
155K82.6Confident81.4Confident125 Ų12596.7 Ų96.754%0.54348%0.475SS..Hα-helixtrans-66.1-35.2176.1-70.9166.9-172.6168.20112.1E151 S152 R153 L159E151-K155 WeakPolarHBondContact O-CG 3.4Å; E151-K155 PolarHBondContact O-N 3.31Å; E151-K155 VanDerWaalsContact OE1-CE 3.27Å; E151-K155 WeakPolarHBondContact OE1-CE 3.47Å; E151-K155 IonicContact OE1-NZ 2.59Å; E151-K155 PolarHBondContact OE1-NZ 3Å; S152-K155 PolarHBondContact O-N 2.89Å; R153-K155 VanDerWaalsContact C-N 3.29Å; R153-K155 PolarHBondContact O-N 2.91Å; K155-L159 WeakPolarHBondContact O-CB 3.29Å; K155-L159 PolarHBondContact O-N 3.2Å
156I82.6Confident81.3Confident39 Ų3992.4 Ų92.420%0.246%0.459CS..Hα-helixtrans-74.7-39175.6-57.6162.9000110.7F140 I144 C147 S152 R153 R154 L159 K160F140-I156 HydrophobicContact CB-CG2 4.43Å; F140-I156 HydrophobicContact CD1-CG2 3.67Å; F140-I156 HydrophobicContact CE1-CG2 4.39Å; F140-I156 HydrophobicContact CG-CG2 4.44Å; I144-I156 HydrophobicContact CD1-CG2 4.1Å; I144-I156 HydrophobicContact CG1-CB 4.08Å; I144-I156 HydrophobicContact CG1-CG2 3.59Å; C147-I156 HydrophobicContact CB-CD1 4.41Å; S152-I156 WeakPolarHBondContact O-CG1 3.24Å; S152-I156 PolarHBondContact O-N 2.85Å; R153-I156 WeakPolarHBondContact O-CA 3.26Å; R153-I156 PolarHBondContact O-N 2.96Å; R154-I156 VanDerWaalsContact C-N 3.32Å; R154-I156 PolarHBondContact O-N 2.81Å; I156-L159 PolarHBondContact O-N 3.4Å; I156-K160 WeakPolarHBondContact O-CB 3.33Å; I156-K160 PolarHBondContact O-N 3.16Å
157E84.1Confident81.6Confident77 Ų7786.4 Ų86.436%0.3643%0.427SS..Hα-helixtrans-59.5-50.8175.3-71.2162.1174.300111.6I144 R153 R154 L159 K160 E161I144-E157 HydrophobicContact CD1-CG 3.92Å; I144-E157 HydrophobicContact CG1-CG 4.23Å; I144-E157 HydrophobicContact CG2-CG 4.45Å; R153-E157 WeakPolarHBondContact CD-OE1 3.18Å; R153-E157 WeakPolarHBondContact CG-OE1 3.3Å; R153-E157 WeakPolarHBondContact O-CG 3.4Å; R153-E157 PolarHBondContact O-N 2.59Å; R154-E157 WeakPolarHBondContact CA-OE2 3.32Å; R154-E157 PolarHBondContact O-N 2.87Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 3.12Å; E157-K160 WeakPolarHBondContact O-CB 3.41Å; E157-K160 PolarHBondContact O-N 3.25Å; E157-E161 PolarHBondContact O-N 3.32Å
158N84.8Confident81.8Confident101 Ų10190.2 Ų90.254%0.5444%0.442SS..Hα-helixtrans-60.6-38.3176.1-69.47000112.6R154 E161 T162R154-N158 PolarHBondContact O-N 3.47Å; R154-N158 PolarHBondContact O-OD1 3.37Å; N158-E161 PolarHBondContact O-N 3.09Å; N158-T162 WeakPolarHBondContact O-CB 3.45Å; N158-T162 PolarHBondContact O-N 3.04Å; N158-T162 PolarHBondContact O-OG1 3.2Å
159L81.3Confident81.8Confident90 Ų9083.9 Ų83.947%0.47142%0.423SS..Hα-helixtrans-69.1-37.7177.5-176.760.2000111.4F140 K155 I156 E157 T163F140-L159 HydrophobicContact CE1-CD2 3.8Å; F140-L159 HydrophobicContact CE1-CG 4.27Å; F140-L159 HydrophobicContact CE2-CG 4.49Å; F140-L159 HydrophobicContact CZ-CD2 3.67Å; F140-L159 HydrophobicContact CZ-CG 3.86Å; K155-L159 WeakPolarHBondContact O-CB 3.29Å; K155-L159 PolarHBondContact O-N 3.2Å; I156-L159 PolarHBondContact O-N 3.4Å; E157-L159 VanDerWaalsContact C-N 3.31Å; E157-L159 PolarHBondContact O-N 3.12Å; L159-T163 WeakPolarHBondContact O-CB 3.37Å; L159-T163 PolarHBondContact O-N 3.47Å; L159-T163 PolarHBondContact O-OG1 2.93Å
160K84.8Confident81.4Confident46 Ų4680.2 Ų80.220%0.241%0.407CS..Hα-helixtrans-62.5-47.9172.8-171.2-164.4178.3-1700111L137 F140 D141 I144 I156 E157 T162 T163 C164L137-K160 HydrophobicContact CD2-CD 4.41Å; L137-K160 VanDerWaalsContact CD2-CE 3.47Å; L137-K160 HydrophobicContact CD2-CG 3.99Å; L137-K160 HydrophobicContact CG-CG 4.45Å; F140-K160 HydrophobicContact CB-CB 4.2Å; F140-K160 HydrophobicContact CB-CD 4.46Å; F140-K160 HydrophobicContact CB-CG 4.07Å; F140-K160 HydrophobicContact CG-CB 4.47Å; D141-K160 IonicContact OD1-NZ 2.66Å; D141-K160 PolarHBondContact OD1-NZ 2.68Å; D141-K160 VanDerWaalsContact OD2-CE 3.25Å; D141-K160 WeakPolarHBondContact OD2-CE 3.41Å; D141-K160 IonicContact OD2-NZ 2.64Å; D141-K160 PolarHBondContact OD2-NZ 3.34Å; I144-K160 HydrophobicContact CD1-CD 4.03Å; I156-K160 WeakPolarHBondContact O-CB 3.33Å; I156-K160 PolarHBondContact O-N 3.16Å; E157-K160 WeakPolarHBondContact O-CB 3.41Å; E157-K160 PolarHBondContact O-N 3.25Å; K160-T162 PolarHBondContact O-N 2.64Å; K160-T163 CarbonylContact O-C 3.57Å; K160-T163 PolarHBondContact O-N 3.26Å; K160-T163 VanDerWaalsContact O-N 3.15Å; K160-C164 PolarHBondContact O-N 2.94Å; K160-C164 PolarHBondContact O-SG 2.93Å
161E84.3Confident81.6Confident139 Ų13978.6 Ų78.665%0.6540%0.395SS*.Hα-helixtrans-59.4-46.2178.4-176.6174.1-15000111.8E157 N158 T163 C164 S165E157-E161 PolarHBondContact O-N 3.32Å; N158-E161 PolarHBondContact O-N 3.09Å; E161-T163 VanDerWaalsContact C-N 3.3Å; E161-T163 PolarHBondContact O-N 2.67Å; E161-C164 WeakPolarHBondContact O-CB 3.29Å; E161-C164 PolarHBondContact O-N 3.03Å; E161-S165 PolarHBondContact O-N 2.93Å; E161-S165 VanDerWaalsContact O-N 3.11Å
162T81.6Confident81.4Confident94 Ų9478.1 Ų78.158%0.57739%0.393SS*.Hα-helixtrans-59.1-41.8174.5-52.80000111.4N158 K160 S165 M166N158-T162 WeakPolarHBondContact O-CB 3.45Å; N158-T162 PolarHBondContact O-N 3.04Å; N158-T162 PolarHBondContact O-OG1 3.2Å; K160-T162 PolarHBondContact O-N 2.64Å; T162-S165 PolarHBondContact O-N 3.21Å; T162-M166 PolarHBondContact O-N 2.9Å
163T80.4Confident81.2Confident20 Ų2079.9 Ų79.912%0.12340%0.404CS..Hα-helixtrans-68.5-35.1177.7-51.90000112L137 L159 K160 E161 M166 V167L137-T163 HydrophobicContact CD1-CG2 4.13Å; L159-T163 WeakPolarHBondContact O-CB 3.37Å; L159-T163 PolarHBondContact O-N 3.47Å; L159-T163 PolarHBondContact O-OG1 2.93Å; K160-T163 CarbonylContact O-C 3.57Å; K160-T163 PolarHBondContact O-N 3.26Å; K160-T163 VanDerWaalsContact O-N 3.15Å; E161-T163 VanDerWaalsContact C-N 3.3Å; E161-T163 PolarHBondContact O-N 2.67Å; T163-M166 HydrophobicContact CG2-CE 4.38Å; T163-M166 PolarHBondContact O-N 3.4Å; T163-V167 WeakPolarHBondContact O-CB 3.4Å; T163-V167 WeakPolarHBondContact O-CG2 3.38Å; T163-V167 PolarHBondContact O-N 3.35Å
164C83.1Confident81.1Confident45 Ų4577.7 Ų77.730%0.30440%0.397SS..Hα-helixtrans-60.1-48.9173.3-64.80000111.1L137 K160 E161 M166 V167 E168L137-C164 HydrophobicContact CD1-CB 4.49Å; K160-C164 PolarHBondContact O-N 2.94Å; K160-C164 PolarHBondContact O-SG 2.93Å; E161-C164 WeakPolarHBondContact O-CB 3.29Å; E161-C164 PolarHBondContact O-N 3.03Å; C164-M166 VanDerWaalsContact C-N 3.3Å; C164-M166 PolarHBondContact O-N 2.91Å; C164-V167 PolarHBondContact O-N 3.22Å; C164-V167 VanDerWaalsContact O-N 3.11Å; C164-E168 PolarHBondContact O-N 2.94Å
165S81.9Confident80.9Confident80 Ų8073.2 Ų73.256%0.55939%0.389SS*.Hα-helixtrans-59.8-40.6179.1-1730000112.3E161 T162 S169E161-S165 PolarHBondContact O-N 2.93Å; E161-S165 VanDerWaalsContact O-N 3.11Å; T162-S165 PolarHBondContact O-N 3.21Å; S165-S169 WeakPolarHBondContact O-CB 3.31Å; S165-S169 PolarHBondContact O-N 3.37Å; S165-S169 PolarHBondContact O-OG 3.06Å
166M76.9Confident80.5Confident91 Ų9172 Ų7245%0.44839%0.387SS..Hα-helixtrans-64.4-42.1173.5-171.8179.771.200112.3L133 T162 T163 C164 S169 I170L133-M166 HydrophobicContact CD1-CE 4.33Å; L133-M166 HydrophobicContact CD2-CE 4.03Å; T162-M166 PolarHBondContact O-N 2.9Å; T163-M166 HydrophobicContact CG2-CE 4.38Å; T163-M166 PolarHBondContact O-N 3.4Å; C164-M166 VanDerWaalsContact C-N 3.3Å; C164-M166 PolarHBondContact O-N 2.91Å; M166-S169 PolarHBondContact O-N 3.42Å; M166-I170 HydrophobicContact CG-CD1 3.98Å; M166-I170 VanDerWaalsContact O-CG1 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.47Å; M166-I170 PolarHBondContact O-N 2.79Å
167V84.1Confident80.1Confident3 Ų373.6 Ų73.62%0.01840%0.396CS..Hα-helixtrans-64.9-43.1177.8162.60000112.1L130 L133 I134 L137 T163 C164 S169 I170 K171L130-V167 HydrophobicContact CD1-CG1 3.97Å; L133-V167 HydrophobicContact CB-CG2 3.96Å; I134-V167 HydrophobicContact CG1-CG1 4.11Å; L137-V167 HydrophobicContact CD1-CB 4.5Å; L137-V167 HydrophobicContact CD1-CG2 4.12Å; T163-V167 WeakPolarHBondContact O-CB 3.4Å; T163-V167 WeakPolarHBondContact O-CG2 3.38Å; T163-V167 PolarHBondContact O-N 3.35Å; C164-V167 PolarHBondContact O-N 3.22Å; C164-V167 VanDerWaalsContact O-N 3.11Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3.21Å; V167-I170 PolarHBondContact O-N 2.8Å; V167-K171 HydrophobicContact CG1-CD 4.41Å; V167-K171 WeakPolarHBondContact O-CG 3.41Å; V167-K171 PolarHBondContact O-N 2.89Å
168E81.5Confident79.6Confident105 Ų10573.1 Ų73.149%0.49139%0.394SS..Hα-helixtrans-65.7-36.6174.9-61.7-46.3128.700112.2C164 K171 H172C164-E168 PolarHBondContact O-N 2.94Å; E168-K171 VanDerWaalsContact CD-NZ 3.32Å; E168-K171 PolarHBondContact O-N 3.06Å; E168-K171 IonicContact OE1-NZ 3.18Å; E168-K171 PolarHBondContact OE1-NZ 2.59Å; E168-K171 VanDerWaalsContact OE2-CD 3.29Å; E168-K171 WeakPolarHBondContact OE2-CD 3.47Å; E168-K171 IonicContact OE2-NZ 3.41Å; E168-K171 PolarHBondContact OE2-NZ 3.48Å; E168-H172 PolarHBondContact O-N 2.89Å
169S77.3Confident79.2Confident66 Ų6672.1 Ų72.146%0.46239%0.388SS..Hα-helixtrans-62.9-42.7174.3-57.40000112S165 M166 V167 H172 C173S165-S169 WeakPolarHBondContact O-CB 3.31Å; S165-S169 PolarHBondContact O-N 3.37Å; S165-S169 PolarHBondContact O-OG 3.06Å; M166-S169 PolarHBondContact O-N 3.42Å; V167-S169 VanDerWaalsContact C-N 3.34Å; V167-S169 PolarHBondContact O-N 3.21Å; S169-H172 PolarHBondContact O-N 3.29Å; S169-C173 PolarHBondContact O-N 2.8Å; S169-C173 VanDerWaalsContact O-N 3.12Å; S169-C173 PolarHBondContact O-SG 2.88Å
170I79Confident78.5Confident52 Ų5270.1 Ų70.127%0.26738%0.384SS..Hα-helixtrans-66.5-43.2177.2-69.7165.3000111.1L130 L133 M166 V167 H172 C173 I174L130-I170 HydrophobicContact CB-CG2 4.3Å; L130-I170 HydrophobicContact CD1-CG2 4.14Å; L133-I170 HydrophobicContact CD1-CD1 3.61Å; M166-I170 HydrophobicContact CG-CD1 3.98Å; M166-I170 VanDerWaalsContact O-CG1 3.29Å; M166-I170 WeakPolarHBondContact O-CG1 3.47Å; M166-I170 PolarHBondContact O-N 2.79Å; V167-I170 PolarHBondContact O-N 2.8Å; I170-H172 VanDerWaalsContact C-N 3.32Å; I170-H172 PolarHBondContact O-N 3.28Å; I170-C173 PolarHBondContact O-N 2.65Å; I170-I174 HydrophobicContact CG2-CD1 3.89Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.17Å
171K80.6Confident77.8Confident70 Ų7069.7 Ų69.730%0.30438%0.383SS..Hα-helixtrans-55.9-45.8172.9-74.4169.3179.5174.50111.9L130 V167 E168 C173 I174 V175L130-K171 HydrophobicContact CD1-CG 3.97Å; L130-K171 HydrophobicContact CD2-CG 3.75Å; V167-K171 HydrophobicContact CG1-CD 4.41Å; V167-K171 WeakPolarHBondContact O-CG 3.41Å; V167-K171 PolarHBondContact O-N 2.89Å; E168-K171 VanDerWaalsContact CD-NZ 3.32Å; E168-K171 PolarHBondContact O-N 3.06Å; E168-K171 IonicContact OE1-NZ 3.18Å; E168-K171 PolarHBondContact OE1-NZ 2.59Å; E168-K171 VanDerWaalsContact OE2-CD 3.29Å; E168-K171 WeakPolarHBondContact OE2-CD 3.47Å; E168-K171 IonicContact OE2-NZ 3.41Å; E168-K171 PolarHBondContact OE2-NZ 3.48Å; K171-C173 VanDerWaalsContact C-N 3.33Å; K171-C173 PolarHBondContact O-N 2.92Å; K171-I174 PolarHBondContact O-N 2.92Å; K171-V175 WeakPolarHBondContact O-CG2 3.45Å; K171-V175 PolarHBondContact O-N 3.4Å
172H75.9Confident77Confident124 Ų12466.7 Ų66.757%0.57437%0.371SS*.Hα-helixtrans-62.8-41.4-179.9-162.4175.1000111.2E168 S169 I170 I174 V175 L176E168-H172 PolarHBondContact O-N 2.89Å; S169-H172 PolarHBondContact O-N 3.29Å; I170-H172 VanDerWaalsContact C-N 3.32Å; I170-H172 PolarHBondContact O-N 3.28Å; H172-I174 PolarHBondContact O-N 3.02Å; H172-V175 PolarHBondContact O-N 3.09Å; H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 3.37Å
173C74Confident76.3Confident74 Ų7467.8 Ų67.850%0.537%0.369SS..Hα-helixtrans-61.7-43.1174-63.30000112.4S169 I170 K171 L176 L177S169-C173 PolarHBondContact O-N 2.8Å; S169-C173 VanDerWaalsContact O-N 3.12Å; S169-C173 PolarHBondContact O-SG 2.88Å; I170-C173 PolarHBondContact O-N 2.65Å; K171-C173 VanDerWaalsContact C-N 3.33Å; K171-C173 PolarHBondContact O-N 2.92Å; C173-L176 PolarHBondContact O-N 3.44Å; C173-L177 VanDerWaalsContact O-CG 3.31Å; C173-L177 WeakPolarHBondContact O-CG 3.25Å; C173-L177 PolarHBondContact O-N 2.99Å
174I80.2Confident75.3Confident17 Ų1768.9 Ų68.99%0.08738%0.378CS..Hα-helixtrans-64.2-41.4177.3-73.5168000111.5L123 A126 D127 L130 I170 K171 H172 L176 L177 Q178L123-I174 HydrophobicContact CD1-CG2 4.13Å; A126-I174 HydrophobicContact CB-CD1 4.09Å; A126-I174 HydrophobicContact CB-CG1 4.19Å; D127-I174 WeakPolarHBondContact OD1-CG2 3.32Å; L130-I174 HydrophobicContact CB-CD1 3.99Å; L130-I174 HydrophobicContact CD2-CD1 3.79Å; L130-I174 HydrophobicContact CG-CD1 4.48Å; I170-I174 HydrophobicContact CG2-CD1 3.89Å; I170-I174 WeakPolarHBondContact O-CG1 3.39Å; I170-I174 PolarHBondContact O-N 3.17Å; K171-I174 PolarHBondContact O-N 2.92Å; H172-I174 PolarHBondContact O-N 3.02Å; I174-L176 PolarHBondContact O-N 2.9Å; I174-L177 PolarHBondContact O-N 3.43Å; I174-Q178 WeakPolarHBondContact O-CB 3.41Å; I174-Q178 PolarHBondContact O-N 3.19Å
175V78.9Confident74.1Confident80 Ų8069.1 Ų69.149%0.48538%0.376SS..Hα-helixtrans-61.6-42174.6169.70000111.6K171 H172 Q178 I179K171-V175 WeakPolarHBondContact O-CG2 3.45Å; K171-V175 PolarHBondContact O-N 3.4Å; H172-V175 PolarHBondContact O-N 3.09Å; V175-Q178 PolarHBondContact O-N 2.79Å; V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 VanDerWaalsContact O-CG1 3.29Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 2.68Å
176L73.6Confident72.8Confident98 Ų9872.3 Ų72.351%0.51338%0.382SS..Hα-helixtrans-65.3-38.5176.1-69.1168.3000112.3H172 C173 I174 I179 A180H172-L176 WeakPolarHBondContact O-CG 3.47Å; H172-L176 PolarHBondContact O-N 3.37Å; C173-L176 PolarHBondContact O-N 3.44Å; I174-L176 PolarHBondContact O-N 2.9Å; L176-I179 PolarHBondContact O-N 2.85Å; L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.02Å
177L73.2Confident71.4Confident73 Ų7374.6 Ų74.638%0.38239%0.392SS..Hα-helixtrans-66.2-39174.7-71.1166.7000112.3F119 L123 C173 I174 A180 K181F119-L177 HydrophobicContact CE2-CD2 4.06Å; F119-L177 HydrophobicContact CZ-CB 4.04Å; F119-L177 HydrophobicContact CZ-CD2 3.81Å; L123-L177 HydrophobicContact CD1-CB 3.82Å; L123-L177 HydrophobicContact CD1-CD1 4.31Å; C173-L177 VanDerWaalsContact O-CG 3.31Å; C173-L177 WeakPolarHBondContact O-CG 3.25Å; C173-L177 PolarHBondContact O-N 2.99Å; I174-L177 PolarHBondContact O-N 3.43Å; L177-A180 PolarHBondContact O-N 2.81Å; L177-K181 PolarHBondContact O-N 3.09Å
178Q74.6Confident69.8Low67 Ų6780 Ų8031%0.31342%0.417SS..Hα-helixtrans-66.6-41.5175-178.557.450.100111.7L123 I174 V175 A180 K181 D182L123-Q178 HydrophobicContact CD2-CB 4.46Å; I174-Q178 WeakPolarHBondContact O-CB 3.41Å; I174-Q178 PolarHBondContact O-N 3.19Å; V175-Q178 PolarHBondContact O-N 2.79Å; Q178-A180 PolarHBondContact O-N 3.26Å; Q178-K181 WeakPolarHBondContact O-CB 3.47Å; Q178-K181 PolarHBondContact O-N 2.68Å; Q178-D182 PolarHBondContact NE2-OD1 3.28Å; Q178-D182 PolarHBondContact NE2-OD2 3.4Å; Q178-D182 PolarHBondContact O-N 2.75Å
179I75.8Confident68Low80 Ų8082.9 Ų82.941%0.4143%0.43SS..Hα-helixtrans-61.4-43.4174-69.3164000111.1V175 L176 K181 D182 Q183V175-I179 HydrophobicContact CG1-CD1 3.88Å; V175-I179 VanDerWaalsContact O-CG1 3.29Å; V175-I179 WeakPolarHBondContact O-CG1 3.47Å; V175-I179 PolarHBondContact O-N 2.68Å; L176-I179 PolarHBondContact O-N 2.85Å; I179-K181 VanDerWaalsContact C-N 3.35Å; I179-K181 PolarHBondContact O-N 3.34Å; I179-D182 PolarHBondContact O-N 3.26Å; I179-Q183 WeakPolarHBondContact O-CG 3.37Å; I179-Q183 PolarHBondContact O-N 3.07Å; I179-Q183 VanDerWaalsContact O-N 3.08Å
180A67.1Low66.4Low49 Ų4983.3 Ų83.341%0.40544%0.437SS..Hα-helixtrans-63.5-39.117700000112.4L176 L177 Q178 S184L176-A180 WeakPolarHBondContact O-CB 3.4Å; L176-A180 PolarHBondContact O-N 3.02Å; L177-A180 PolarHBondContact O-N 2.81Å; Q178-A180 PolarHBondContact O-N 3.26Å; A180-S184 PolarHBondContact O-N 3.09Å; A180-S184 VanDerWaalsContact O-N 3.09Å
181K69.9Low64.6Low37 Ų3787.4 Ų87.416%0.16146%0.46CS..Hα-helixtrans-59.1-51.1172.1166.6179.1175.3167.10111.7F119 D120 L123 L177 Q178 I179 Q183 S184 N185F119-K181 HydrophobicContact CD1-CB 4.33Å; F119-K181 HydrophobicContact CE1-CB 3.83Å; D120-K181 VanDerWaalsContact OD1-CD 3.31Å; D120-K181 WeakPolarHBondContact OD1-CD 3.45Å; D120-K181 WeakPolarHBondContact OD1-CE 3.47Å; D120-K181 IonicContact OD1-NZ 2.87Å; D120-K181 PolarHBondContact OD1-NZ 2.57Å; D120-K181 IonicContact OD2-NZ 2.68Å; D120-K181 PolarHBondContact OD2-NZ 2.6Å; L123-K181 HydrophobicContact CD2-CD 4.32Å; L177-K181 PolarHBondContact O-N 3.09Å; Q178-K181 WeakPolarHBondContact O-CB 3.47Å; Q178-K181 PolarHBondContact O-N 2.68Å; I179-K181 VanDerWaalsContact C-N 3.35Å; I179-K181 PolarHBondContact O-N 3.34Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-Q183 PolarHBondContact O-N 3.3Å; K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.47Å; K181-S184 PolarHBondContact O-OG 3.33Å; K181-N185 PolarHBondContact O-N 2.98Å; K181-N185 VanDerWaalsContact O-N 3.12Å; K181-N185 PolarHBondContact O-ND2 3.29Å
182D68.4Low62.5Low76 Ų7687.2 Ų87.241%0.40648%0.478SS..Hα-helixtrans-65.8-39-174.4-65.7-29.5000111.4Q178 I179 S184 N185 E186Q178-D182 PolarHBondContact NE2-OD1 3.28Å; Q178-D182 PolarHBondContact NE2-OD2 3.4Å; Q178-D182 PolarHBondContact O-N 2.75Å; I179-D182 PolarHBondContact O-N 3.26Å; D182-S184 VanDerWaalsContact C-N 3.31Å; D182-S184 PolarHBondContact O-N 3.07Å; D182-N185 PolarHBondContact O-N 3.4Å; D182-E186 PolarHBondContact O-N 3.15Å
183Q66.4Low60.5Low116 Ų11688.7 Ų88.754%0.54249%0.489SS..Hα-helixtrans-60.4-36.6170.6-70.9175.2-0.600113.1I179 K181 N185 Q187I179-Q183 WeakPolarHBondContact O-CG 3.37Å; I179-Q183 PolarHBondContact O-N 3.07Å; I179-Q183 VanDerWaalsContact O-N 3.08Å; K181-Q183 VanDerWaalsContact C-N 3.34Å; K181-Q183 PolarHBondContact O-N 3.3Å; Q183-N185 VanDerWaalsContact C-N 3.35Å; Q183-Q187 PolarHBondContact O-N 3.46Å
184S59.3Low58.5Low44 Ų4493.1 Ų93.131%0.30851%0.507SS..Hα-helixtrans-69.2-31.5177.278.60000113.1A180 K181 D182 Q188A180-S184 PolarHBondContact O-N 3.09Å; A180-S184 VanDerWaalsContact O-N 3.09Å; K181-S184 WeakPolarHBondContact O-CB 3.48Å; K181-S184 PolarHBondContact O-N 3.47Å; K181-S184 PolarHBondContact O-OG 3.33Å; D182-S184 VanDerWaalsContact C-N 3.31Å; D182-S184 PolarHBondContact O-N 3.07Å; S184-Q188 PolarHBondContact O-N 3.02Å
185N58.5Low55.9Low49 Ų4997.9 Ų97.926%0.26254%0.541SS..Hα-helixtrans-73.2-38.5176.7-72.8-39.4000112.1K181 D182 Q183 Q187 Q188 H189K181-N185 PolarHBondContact O-N 2.98Å; K181-N185 VanDerWaalsContact O-N 3.12Å; K181-N185 PolarHBondContact O-ND2 3.29Å; D182-N185 PolarHBondContact O-N 3.4Å; Q183-N185 VanDerWaalsContact C-N 3.35Å; N185-Q187 VanDerWaalsContact C-N 3.29Å; N185-Q187 PolarHBondContact O-N 3Å; N185-Q188 PolarHBondContact O-N 3.43Å; N185-H189 PolarHBondContact O-CD2 3.27Å; N185-H189 PolarHBondContact O-N 3.44Å; N185-H189 VanDerWaalsContact O-N 3.08Å
186E53.7Low53.4Low147 Ų147100.4 Ų100.469%0.68756%0.557SS**Hα-helixtrans-60-39.3175.3-70.3-170.7145.900112D182 Q188 H189 A190D182-E186 PolarHBondContact O-N 3.15Å; E186-Q188 PolarHBondContact O-N 2.77Å; E186-H189 PolarHBondContact O-N 3.03Å; E186-A190 PolarHBondContact O-N 3.26Å
187Q48Very low51.3Low140 Ų140103 Ų10365%0.65457%0.57SS**Hα-helixtrans-66.1-34176.2-68.5-176.7-100113.1Q183 N185 A190 N191Q183-Q187 PolarHBondContact O-N 3.46Å; N185-Q187 VanDerWaalsContact C-N 3.29Å; N185-Q187 PolarHBondContact O-N 3Å; Q187-A190 PolarHBondContact O-N 3.19Å; Q187-N191 PolarHBondContact O-N 3.12Å
188Q49.3Very low49Very low117 Ų117107.3 Ų107.355%0.54759%0.593SS.*Hα-helixtrans-69.7-38.5174-68-174.91800111.9S184 N185 E186 A190 N191 G192S184-Q188 PolarHBondContact O-N 3.02Å; N185-Q188 PolarHBondContact O-N 3.43Å; E186-Q188 PolarHBondContact O-N 2.77Å; Q188-A190 VanDerWaalsContact C-N 3.34Å; Q188-A190 PolarHBondContact O-N 3.03Å; Q188-N191 PolarHBondContact O-N 3.12Å; Q188-G192 PolarHBondContact O-N 3.01Å
189H45.3Very low47.1Very low164 Ų164109 Ų10976%0.75961%0.61SS**Hα-helixtrans-65.3-34.4174.8-88.8-83.4000113.2N185 E186N185-H189 PolarHBondContact O-CD2 3.27Å; N185-H189 PolarHBondContact O-N 3.44Å; N185-H189 VanDerWaalsContact O-N 3.08Å; E186-H189 PolarHBondContact O-N 3.03Å
190A42.3Very low44.8Very low75 Ų75111.2 Ų111.262%0.6263%0.627SS**Hα-helixtrans-65.9-37175.100000113E186 Q187 Q188E186-A190 PolarHBondContact O-N 3.26Å; Q187-A190 PolarHBondContact O-N 3.19Å; Q188-A190 VanDerWaalsContact C-N 3.34Å; Q188-A190 PolarHBondContact O-N 3.03Å
191N41.4Very low43Very low138 Ų138116.3 Ų116.374%0.73865%0.647SS**Hα-helixtrans-84.8-5.9-177.3-71.6-21.5000114.3Q187 Q188 L193Q187-N191 PolarHBondContact O-N 3.12Å; Q188-N191 PolarHBondContact O-N 3.12Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 VanDerWaalsContact O-N 3.08Å
192G37Very low40.9Very low67 Ų67117.5 Ų117.569%0.69167%0.671SS**THydrogen-bonded Turntrans-713.6-178.800000116Q188Q188-G192 PolarHBondContact O-N 3.01Å
193L34.1Very low38.9Very low154 Ų154122.5 Ų122.581%0.80670%0.695SS**SBendtrans-119.638.8-167.1-113.7171000115.1N191N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 VanDerWaalsContact O-N 3.08Å
194I31.1Very low36.9Very low168 Ų168126.2 Ų126.286%0.86271%0.706SS**  trans-152.9100.5149.5-91135.6000108.6
195S26.6Very low35.4Very low117 Ų117133 Ų13382%0.81873%0.733SS**  trans-17393.4144.2-170.80000109
196T26.8Very low34.1Very low132 Ų132135 Ų13581%0.8175%0.749SS**  trans-121126.7163.2450000107.9
197I28.7Very low33.4Very low153 Ų153133.1 Ų133.179%0.78575%0.749SS**  trans165.6111.4136.2-83.6153000107.2
198N25.6Very low32.5Very low164 Ų164134.7 Ų134.788%0.87776%0.761SS**  trans-136.1118.3155.6-118.1-10.3000104.9
199P33Very low31.5Very low103 Ų103136.2 Ų136.267%0.66977%0.773SS**  trans-89.6134.9-175.232.2-31.7000112.5
200V27.4Very low31.4Very low126 Ų126134.1 Ų134.176%0.76477%0.774SS**  trans63.5124.2143.3-179.20000116.2
201D29.2Very low30.6Very low155 Ų155137.7 Ų137.783%0.82979%0.788SS**  cis-146.71702.8-96.1-29.2000107.2
202G26Very low29.9Very low63 Ų63136.9 Ų136.965%0.64979%0.787SS**  cis130.760.77.300000113.5
203I28Very low29.4Very low180 Ų180139.9 Ų139.992%0.92379%0.787SS**  trans-159.8149.4162.3-103.2149.8000109.8
204Y24.1Very low28.9Very low194 Ų194138 Ų13876%0.76178%0.782SS**  trans-142.5134.4-170.3174.2-82.3000111.6P206Y204-P206 HydrophobicContact CE1-CB 4.35Å; Y204-P206 HydrophobicContact CE1-CG 4.26Å
205Q26.4Very low28.7Very low187 Ų187136.3 Ų136.387%0.87478%0.78SS**  trans-161153.2150.4-112.7167.315.200111.5
206P32.2Very low28.6Very low92 Ų92138.8 Ų138.860%0.59778%0.781SS**  trans-116-151.9-157.748.9-36.8000112.1Y204Y204-P206 HydrophobicContact CE1-CB 4.35Å; Y204-P206 HydrophobicContact CE1-CG 4.26Å
207P38.6Very low29.2Very low107 Ų107137.9 Ų137.970%0.69578%0.777SS**  -114.3170.4-127.427.9-4.8000115.2
208L29.3Very low29.2Very low172 Ų172135.7 Ų135.790%0.90177%0.771SS**  trans-141.2141.8162.6-74.3176.4000110.3
209D28.6Very low29.2Very low150 Ų150135.9 Ų135.980%0.80277%0.767SS**  trans-89.3-157.1-172.4-48.2-80.6000112.7
210P42.8Very low28.8Very low120 Ų120136.4 Ų136.478%0.77977%0.768SS**  -115.9156-123.926.4-4.1000114.5
211V26.3Very low28.6Very low150 Ų150136.7 Ų136.791%0.90977%0.77SS**  trans-127.8113.2169.8-175.90000111.5
212V26.1Very low28.5Very low120 Ų120136.8 Ų136.873%0.72777%0.77SS**  trans-89.4125167.8170.70000108.8
213N26.1Very low28.9Very low131 Ų131139 Ų13970%0.70177%0.773SS**  177.5131.3123.6-109.1-47.7000118.3
214T23.8Very low28.8Very low114 Ų114136 Ų13670%0.69976%0.763SS**  trans47.8154.9135.641.90000126.6
215T26.3Very low28.9Very low132 Ų132133.8 Ų133.881%0.8176%0.764SS**  trans88.4109.6146.329.40000122.6
216M24.9Very low28.9Very low170 Ų170128.7 Ų128.784%0.83775%0.754SS**  trans-73.1159.9146.7-66.5-93.5-77.500110.3
217P40.2Very low28.8Very low113 Ų113129 Ų12973%0.73476%0.759SS**  -156142105.336.4-16.2000119.1
218T27.9Very low28.4Very low106 Ų106132.4 Ų132.465%0.6577%0.765SS**  76.5105.7124-57.70000124.4
219Q26.3Very low28.4Very low169 Ų169129.7 Ų129.779%0.7976%0.756SS**  trans76.7155.4130.1-66.8176.71200126.4
220T24.3Very low28.1Very low114 Ų114127.5 Ų127.570%0.69975%0.751SS**  trans9895.6138.125.30000124.8
221T23.4Very low27.5Very low132 Ų132131.1 Ų131.181%0.8176%0.755SS**  72.2143.4122.250.90000127
222L26.9Very low27.6Very low157 Ų157128.7 Ų128.782%0.82274%0.744SS**  trans-51.8161172.4-63156000117.6
223P33.9Very low27.6Very low110 Ų110129 Ų12971%0.71474%0.742SS**  -127.4165.389.7815.2000114.1
224T26.1Very low27.6Very low117 Ų117131.4 Ų131.472%0.71875%0.749SS**  65.9135.760.2-4.30000113.2
225D25.6Very low27.8Very low146 Ų146136.3 Ų136.378%0.78175%0.754SS**  cis-156.9170.830.9-134.5-29.3000117.1
226A26.5Very low28.4Very low80 Ų80135.4 Ų135.466%0.66175%0.751SS**  trans-22.9172.2155.600000123
227S31.2Very low28.5Very low100 Ų100131.4 Ų131.470%0.69974%0.74SS**  cis-176.4-172.1-12.655.20000113.2
228Q30.3Very low28Very low177 Ų177131.4 Ų131.483%0.82774%0.738SS**  trans95.8146.5158.9-56.3-145.55.800119.6
229V28.7Very low27.9Very low115 Ų115134 Ų13470%0.69775%0.747SS**  cis-162.7166.5-7.4121.60000114
230C22.5Very low28.6Very low105 Ų105131 Ų13171%0.70974%0.742SS**  trans103.3109.6169.2-74.90000116.9
231K30.6Very low28.8Very low196 Ų196132.5 Ų132.585%0.85275%0.751SS**  82.3146.969.6-81.5-173.1176-176.40113.8
232S27.5Very low28.9Very low98 Ų98129.3 Ų129.369%0.68574%0.744SS**  cis179.3163.1-7.752.10000108.2
233D27.5Very low29.8Very low128 Ų128127.9 Ų127.968%0.68474%0.744SS**  cis-168176.75.7-137.8-93.8000113.9
234Q26.1Very low29.5Very low181 Ų181129.1 Ų129.185%0.84675%0.749SS**  trans68.9163.7151.9-93.2150.382.200126.6
235R27Very low29.4Very low216 Ų216129.3 Ų129.382%0.81575%0.75SS**  trans-160.5142.5-165.9-177.4-135.7-171.6166.34.6113.9
236P38.7Very low29.3Very low113 Ų113128.2 Ų128.273%0.73475%0.749SS**  trans-144.4173130.225.4-3.1000113.2
237S27.3Very low29.2Very low86 Ų86131 Ų13160%0.60176%0.757SS**  cis91.5132.40.783.10000118
238T29.7Very low29Very low114 Ų114135.3 Ų135.370%0.69977%0.769SS**  cis-161.2148.916.949.60000115.8
239L25.1Very low28.7Very low160 Ų160130.7 Ų130.784%0.83877%0.768SS**  trans63.9-177.7141.2-67.7171.1000120.3
240P41.1Very low28.6Very low106 Ų106130.7 Ų130.769%0.68877%0.773SS**  cis-137.6-169.8-40.330.2-7.5000116.4
241V28.2Very low28.7Very low146 Ų146133 Ų13389%0.88578%0.778SS**  trans78.5144.9161.7-165.70000117.1
242G26.6Very low28.4Very low64 Ų64131.3 Ų131.366%0.6677%0.773SS**  cis-171.6-175.1-0.300000113.7
243P46.5Very low28.3Very low128 Ų128132.6 Ų132.683%0.83178%0.777SS**  trans-111.3-169.1-16342.2-35.6000116.7
244V26.3Very low28.6Very low136 Ų136132.4 Ų132.482%0.82478%0.782SS**  trans109.3153.9170.9172.60000115.1
245V24.5Very low28.7Very low120 Ų120129.4 Ų129.473%0.72778%0.777SS**  -171.4130.8-53.6107.90000111
246T24.2Very low29.1Very low123 Ų123125.1 Ų125.176%0.75578%0.777SS**  trans64152.8153.5-400000123.4
247V24.4Very low28.7Very low138 Ų138126.8 Ų126.884%0.83678%0.78SS**  trans114.9142.8152.9-172.50000117.7
248M26.2Very low28.7Very low192 Ų192127.6 Ų127.695%0.94679%0.785SS**  trans-74.3162.7-175.3-58.8165.5165.900115.3
249G23.7Very low28.8Very low79 Ų79129.2 Ų129.281%0.81480%0.795SS**  trans-168.2130.5160.600000112.6
250S26.1Very low28.8Very low116 Ų116125.1 Ų125.181%0.81179%0.791SS**  trans-103.1157.3178.5-53.30000111.4
251L26.3Very low28.3Very low152 Ų152126.1 Ų126.180%0.79680%0.801SS**  trans176.3118.6144.9-95158000113
252Q24.5Very low28.2Very low162 Ų162122.6 Ų122.676%0.75779%0.794SS**  50.1118.1122.3-75.1179.8-1.600124.2
253T25.1Very low28.8Very low124 Ų124126 Ų12676%0.76181%0.805SS**  32.9140.1121.349.90000121
254P32.1Very low28Very low124 Ų124125.9 Ų125.981%0.80581%0.807SS**  -149.1174.562.341.3-22.2000119
255T30Very low28.1Very low118 Ų118122.8 Ų122.872%0.72480%0.803SS**  trans-93.8175.6170.649.60000112.7
256P35.3Very low28.8Very low127 Ų127123.7 Ų123.783%0.82581%0.811SS**  trans-131153.4138.836.8-27.1000115.4
257N28.6Very low28.9Very low148 Ų148123.6 Ų123.679%0.79182%0.815SS**  trans-83-174.8175.9-56.4-32.9000111.5
258S29.1Very low29.4Very low102 Ų102122.7 Ų122.771%0.71382%0.815SS**  cis-168.8168.89.4-147.30000113.1
259T31Very low29.4Very low148 Ų148117.1 Ų117.191%0.90881%0.807SS**  trans149.2159.1142.444.30000112.1
260G25.1Very low29.7Very low74 Ų74120.8 Ų120.876%0.76381%0.813SS**  cis-168.9-61.5-400000117.3
261S29.8Very low29.7Very low127 Ų127119.7 Ų119.789%0.88881%0.811SS**  trans-160.9157.7-163.552.90000112.8
262G27.3Very low30Very low72 Ų72117.6 Ų117.674%0.74281%0.809SS**  cis-169.4177.72.600000111.3
263P39.8Very low30.4Very low135 Ų135115.6 Ų115.688%0.87781%0.81SS**  trans-108.2160.9-152.139.3-36.4000118.3
264S28.6Very low30.6Very low126 Ų126114.2 Ų114.288%0.88181%0.811SS**  trans-148.1159.7164.657.20000112.5
265G28.8Very low30.6Very low71 Ų71117.3 Ų117.373%0.73282%0.815SS**  trans-83.2-174.8-168.100000117.7
266P37.9Very low30.7Very low139 Ų139118.9 Ų118.990%0.90382%0.817SS**  trans-88.8156.8-157.935.1-37.6000115.6
267S26.9Very low30.3Very low121 Ų121118.5 Ų118.585%0.84682%0.815SS**  trans-134.9144.6160-172.90000109.6
268S34.6Very low30.4Very low120 Ų120119.2 Ų119.284%0.83982%0.817SS**  trans-88.7124.5-177.851.90000111.9
269G27.3Very low30.2Very low74 Ų74119.1 Ų119.176%0.76381%0.814SS**  trans-135.6143169.100000110.1
270V29.7Very low30Very low157 Ų157117.7 Ų117.795%0.95281%0.811SS**PPolyproline II helixtrans-72131.3176.7179.60000108.8
271A25.9Very low30.1Very low93 Ų93122.4 Ų122.477%0.76981%0.812SS**PPolyproline II helixtrans-99.4128.7-177.200000111.6
272S32.7Very low29.9Very low108 Ų108121.9 Ų121.976%0.75581%0.809SS**PPolyproline II helixtrans-65.5157.1166.9-50.30000111.3
273P32.9Very low30Very low120 Ų120124.3 Ų124.378%0.77981%0.809SS**PPolyproline II helixtrans-59.6137.6176-2334.5000112.3
274A28.3Very low29.3Very low95 Ų95122.4 Ų122.479%0.78580%0.797SS**PPolyproline II helixtrans-79.5143-176.100000113
275H33.7Very low29.1Very low188 Ų188124.4 Ų124.487%0.8780%0.798SS**PPolyproline II helixtrans-65.4145.4176.4-58.1-93.7000112.6
276I31.5Very low29Very low151 Ų151129.9 Ų129.977%0.77480%0.801SS**PPolyproline II helixtrans-97.9127.1165.1-61.7176.2000108L278I276-L278 PolarHBondContact O-N 3.4Å
277P25.8Very low28.3Very low120 Ų120128.4 Ų128.478%0.77980%0.795SS**PPolyproline II helixtrans-73.7119.1175.229.3-32.9000110.8
278L31Very low28.7Very low162 Ų162132.6 Ų132.685%0.84879%0.793SS**PPolyproline II helixtrans-74.4148.3173-73.5166.5000111.4I276I276-L278 PolarHBondContact O-N 3.4Å
279P26.3Very low28.1Very low100 Ų100131.8 Ų131.865%0.64979%0.787SS**PPolyproline II helixtrans-70.9133.4174.829.7-33.8000111.2H281P279-H281 PolarHBondContact O-N 3.41Å
280S25.3Very low28.2Very low119 Ų119132.2 Ų132.283%0.83278%0.779SS**  trans-7493.2-176.658.30000112.7S282S280-S282 PolarHBondContact O-N 3.14Å
281H28.3Very low28Very low172 Ų172128.5 Ų128.580%0.79676%0.76SS**  trans-80.7102.9161.2-77.7-92.7000109.1P279 V283P279-H281 PolarHBondContact O-N 3.41Å; H281-V283 PolarHBondContact O-N 3.33Å; H281-V283 VanDerWaalsContact O-N 3.1Å
282S26.1Very low28.1Very low117 Ų117130.6 Ų130.682%0.81875%0.754SS**  trans-71.2101.3-173.855.70000112.4S280S280-S282 PolarHBondContact O-N 3.14Å
283V27.8Very low28.1Very low123 Ų123131.5 Ų131.575%0.74575%0.75SS**  trans-73.8141157-177.30000107.9H281H281-V283 PolarHBondContact O-N 3.33Å; H281-V283 VanDerWaalsContact O-N 3.1Å
284P25.8Very low28Very low94 Ų94133.6 Ų133.661%0.6175%0.75SS**  trans-64.2139.8-179.1-22.733.7000113.3F286P284-F286 VanDerWaalsContact C-N 3.33Å; P284-F286 HydrophobicContact CB-CD2 4.37Å; P284-F286 HydrophobicContact CB-CE2 4.12Å; P284-F286 PolarHBondContact O-N 2.63Å
285D25Very low28.2Very low169 Ų169136 Ų13690%0.90474%0.743SS**  trans-66.885.2172.4-74-49.3000111.6S287D285-S287 PolarHBondContact O-N 2.86Å; D285-S287 VanDerWaalsContact O-N 3.15Å
286F25.4Very low28.1Very low185 Ų185136.9 Ų136.981%0.81174%0.74SS**  trans-76.593.9160.1-74.8-79.2000108.6P284 Y288P284-F286 VanDerWaalsContact C-N 3.33Å; P284-F286 HydrophobicContact CB-CD2 4.37Å; P284-F286 HydrophobicContact CB-CE2 4.12Å; P284-F286 PolarHBondContact O-N 2.63Å; F286-Y288 PolarHBondContact O-N 3.25Å; F286-Y288 VanDerWaalsContact O-N 3.07Å
287S24.7Very low28.2Very low109 Ų109135.5 Ų135.576%0.76273%0.734SS**  trans-50.2112.2-178.656.70000112D285 S289D285-S287 PolarHBondContact O-N 2.86Å; D285-S287 VanDerWaalsContact O-N 3.15Å; S287-S289 VanDerWaalsContact C-N 3.27Å; S287-S289 PolarHBondContact O-N 3.14Å
288Y33.9Very low28.6Very low209 Ų209132.7 Ų132.782%0.8272%0.721SS**  trans-7384.1172.4-170.6-100.4000109.3F286 S290F286-Y288 PolarHBondContact O-N 3.25Å; F286-Y288 VanDerWaalsContact O-N 3.07Å; Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 2.88Å
289S22.7Very low28.9Very low102 Ų102129.6 Ų129.671%0.71371%0.705SS**  trans-69.488.9169.4-176.50000108.4S287 S291S287-S289 VanDerWaalsContact C-N 3.27Å; S287-S289 PolarHBondContact O-N 3.14Å; S289-S291 VanDerWaalsContact C-N 3.34Å; S289-S291 PolarHBondContact O-N 3Å
290S30.1Very low29.3Very low84 Ų84133.5 Ų133.559%0.58772%0.715SS**  trans-70.990.8174.4-169.50000110Y288Y288-S290 VanDerWaalsContact C-N 3.27Å; Y288-S290 PolarHBondContact O-N 2.88Å
291S24.4Very low30Very low79 Ų79135.2 Ų135.255%0.55270%0.704SS**  trans-104123151.744.80000106.9S289 D293S289-S291 VanDerWaalsContact C-N 3.34Å; S289-S291 PolarHBondContact O-N 3Å; S291-D293 PolarHBondContact O-N 3.32Å; S291-D293 VanDerWaalsContact O-N 3.15Å
292E29.4Very low30.5Very low136 Ų136132.6 Ų132.664%0.63669%0.688SS**  trans-75.66.5175.8-59.7-164134.800112.8E294 K706E292-E294 PolarHBondContact O-N 2.8Å; E292-K706 WeakPolarHBondContact OE2-CE 3.4Å; E292-K706 IonicContact OE2-NZ 2.62Å; E292-K706 PolarHBondContact OE2-NZ 3.3Å
293D32.2Very low30.7Very low128 Ų128134.1 Ų134.168%0.68468%0.682SS**  trans-102.473.5-167.6-52.9-63.1000111.1S291S291-D293 PolarHBondContact O-N 3.32Å; S291-D293 VanDerWaalsContact O-N 3.15Å
294E30.9Very low30.7Very low164 Ų164133.5 Ų133.577%0.76668%0.683SS**  trans-165.267.9155.6-113.9171.9-143.300110E292 Y296E292-E294 PolarHBondContact O-N 2.8Å; E294-Y296 PolarHBondContact O-N 2.89Å
295F31.9Very low31.1Very low145 Ų145133.7 Ų133.764%0.63669%0.687SS**  trans-66.4116.8156.4-109.1-100.7000107.2
296Y32.7Very low31.3Very low207 Ų207131.8 Ų131.881%0.81268%0.682SS**  trans-99106.6177.3-146.9-77000108.2E294 A298E294-Y296 PolarHBondContact O-N 2.89Å; Y296-A298 PolarHBondContact O-N 2.88Å
297D31.8Very low31.5Very low121 Ų121128.6 Ų128.665%0.64768%0.682SS**  trans-64.3122.4-176.2-70.3-35.2000111D299D297-D299 VanDerWaalsContact C-N 3.3Å
298A35Very low31.7Very low61 Ų61129.5 Ų129.550%0.50469%0.686SS.*  trans-85-4.6177.800000113.1Y296 E300 Y301Y296-A298 PolarHBondContact O-N 2.88Å; A298-E300 PolarHBondContact O-N 2.98Å; A298-Y301 WeakPolarHBondContact O-CB 3.37Å; A298-Y301 PolarHBondContact O-N 2.77Å
299D37.9Very low31.6Very low97 Ų97129.3 Ų129.352%0.51969%0.689SS.*Hα-helixtrans-62.4-28.3-172.9-752.8000113.3D297 Y301 Y302D297-D299 VanDerWaalsContact C-N 3.3Å; D299-Y301 PolarHBondContact O-N 3.36Å; D299-Y302 PolarHBondContact O-N 3.25Å
300E35.1Very low31.8Very low183 Ų183133.7 Ų133.786%0.85570%0.698SS**Hα-helixtrans-62.6-22.1176.8-153.9177.5-135.400112.4A298A298-E300 PolarHBondContact O-N 2.98Å
301Y39.1Very low31.7Very low155 Ų155135.7 Ų135.761%0.60871%0.711SS**Hα-helixtrans-75.3-33.9179.8-161.5-100.2000113.3A298 D299 S304A298-Y301 WeakPolarHBondContact O-CB 3.37Å; A298-Y301 PolarHBondContact O-N 2.77Å; D299-Y301 PolarHBondContact O-N 3.36Å; Y301-S304 PolarHBondContact O-OG 2.89Å
302Y39.3Very low31.9Very low116 Ų116136.5 Ų136.546%0.45572%0.722SS.*Hα-helixtrans-94.7-20.8-169.6-72.8-81000114.7D299 S304 S305D299-Y302 PolarHBondContact O-N 3.25Å; Y302-S304 PolarHBondContact O-N 2.79Å; Y302-S305 PolarHBondContact O-OG 3.36Å
303Q29.4Very low31.8Very low149 Ų149136.6 Ų136.670%0.69673%0.727SS**G310 helixtrans-71-10.9-176.1-66.4-176.321.300114.5S305Q303-S305 VanDerWaalsContact C-N 3.26Å; Q303-S305 PolarHBondContact O-N 3.03Å
304S28.8Very low31.9Very low110 Ų110136 Ų13677%0.76973%0.73SS**G310 helixtrans-77.24.1-173.360.80000115.9Y301 Y302Y301-S304 PolarHBondContact O-OG 2.89Å; Y302-S304 PolarHBondContact O-N 2.79Å
305S33.8Very low31.8Very low99 Ų99133 Ų13369%0.69273%0.727SS**G310 helixtrans-130.723-165.662.90000116.8Y302 Q303Y302-S305 PolarHBondContact O-OG 3.36Å; Q303-S305 VanDerWaalsContact C-N 3.26Å; Q303-S305 PolarHBondContact O-N 3.03Å
306T29.3Very low31.5Very low129 Ų129129.6 Ų129.679%0.79173%0.733SS**  trans-116.9122.617357.70000113.2
307S28.4Very low31.6Very low117 Ų117125.8 Ų125.882%0.81873%0.734SS**  trans-101.9143.3165.5-75.50000110.2
308P30.3Very low32Very low129 Ų129126.3 Ų126.384%0.83874%0.743SS**  trans-76.3143.5-165.230-36.2000113.4
309K31Very low31.6Very low205 Ų205128.5 Ų128.589%0.89176%0.762SS**  trans-128.2125.2162.2-79.3-174.5175.4175.40110.8
310H26.7Very low31.2Very low193 Ų193128.8 Ų128.889%0.89478%0.778SS**  trans-57.3136.6172.5-100.8-82.9000111.8
311C28.1Very low30.8Very low127 Ų127125.7 Ų125.786%0.85878%0.776SS**  trans-132.7152.3147.1-840000107.9
312A28.6Very low30.1Very low96 Ų96124.6 Ų124.679%0.79379%0.786SS**  trans-97.3146.1-172.300000112.4
313D26.8Very low29.8Very low137 Ų137124.8 Ų124.873%0.73380%0.801SS**  trans-66.7151.3167.9-155.2-9000110.3S315D313-S315 PolarHBondContact OD1-N 2.87Å
314P34.1Very low29.5Very low117 Ų117121.7 Ų121.776%0.7680%0.801SS**  -148.3106.5104.335.5-17.3000116.2
315S29.4Very low29.5Very low101 Ų101123.9 Ų123.971%0.70680%0.804SS**  29.7114.7129.366.80000119.6D313D313-S315 PolarHBondContact OD1-N 2.87Å
316G26.9Very low29.2Very low73 Ų73128 Ų12875%0.75381%0.813SS**  trans-165.8116.8164.600000112.2
317P33.9Very low29.2Very low127 Ų127131 Ų13183%0.82582%0.817SS**  trans-105.7-171.6-168.546.9-40.8000112
318P39.8Very low29.1Very low131 Ų131131 Ų13185%0.85181%0.813SS**  -120.4171.8-112.620.84.1000114.7
319A27.3Very low28.9Very low108 Ų108130.4 Ų130.489%0.89381%0.812SS**  trans-129.5137.2166.200000109.9
320A29Very low28.6Very low103 Ų103129 Ų12985%0.85181%0.813SS**  trans-119.7146.6-174.800000111.8
321S26.3Very low28.6Very low117 Ų117129 Ų12982%0.81881%0.81SS**  trans-155.5110.116857.90000111.6
322T24.3Very low28.4Very low133 Ų133133.6 Ų133.682%0.81681%0.81SS**  trans-85.5139.2166.6-37.30000109.2
323P33Very low28.3Very low119 Ų119134.6 Ų134.677%0.77381%0.808SS**  -128.9134.7110.88.812.2000110.4
324A24.3Very low28.3Very low85 Ų85132.2 Ų132.270%0.70281%0.808SS**  93.9133.759.200000111.7
325N28.9Very low28.2Very low156 Ų156133.3 Ų133.383%0.83481%0.813SS**  trans-64.4146.2-165-54.42.2000114.5
326E26Very low28.4Very low186 Ų186134.6 Ų134.687%0.86982%0.816SS**  trans-129.3138.9132.8-74.3-163.6131.300109.4
327E30.3Very low28.5Very low190 Ų190139.5 Ų139.589%0.88882%0.82SS**  trans-91120.1172.4-66.5176111.100109.5
328T25.9Very low28.5Very low117 Ų117138.6 Ų138.672%0.71882%0.816SS**  trans-131.6106.1168.354.20000111.2L330T328-L330 PolarHBondContact O-N 3.26Å
329S26.1Very low27.8Very low118 Ų118141 Ų14183%0.82581%0.813SS**  trans-63.5117.5171.9-420000110.1K331S329-K331 PolarHBondContact O-N 3.49Å; S329-K331 VanDerWaalsContact O-N 3.16Å
330L25.1Very low28.1Very low174 Ų174144.2 Ų144.291%0.91182%0.816SS**  trans-67.4112.9179.2-70.2170.9000110.4T328T328-L330 PolarHBondContact O-N 3.26Å
331K25.8Very low28.2Very low194 Ų194143 Ų14384%0.84380%0.801SS**  trans-93.5145169.7-80.5-176.6174.1178.20110.9S329S329-K331 PolarHBondContact O-N 3.49Å; S329-K331 VanDerWaalsContact O-N 3.16Å
332R24.9Very low28.6Very low223 Ų223145.7 Ų145.784%0.84281%0.806SS**  trans-38.3119.9168.5-171.5177-168.7152.34.4111.9A334R332-A334 PolarHBondContact O-N 2.86Å
333P26.4Very low29.4Very low117 Ų117144.5 Ų144.576%0.7679%0.793SS**  trans-64.3129.7174.9-21.633.3000111.3
334A25.9Very low29.6Very low88 Ų88141.7 Ų141.773%0.72778%0.776SS**  trans-91.2117.1168.700000109.3R332 T336R332-A334 PolarHBondContact O-N 2.86Å; A334-T336 PolarHBondContact O-N 2.81Å
335T32.2Very low30.4Very low140 Ų140143.6 Ų143.686%0.85977%0.774SS**  trans-7978.6-173.149.40000112.5
336T34.9Very low30.9Very low128 Ų128137.7 Ų137.779%0.78575%0.751SS**  trans-140.447.717352.70000113.9A334A334-T336 PolarHBondContact O-N 2.81Å
337E27.6Very low32Very low176 Ų176131.7 Ų131.782%0.82273%0.727SS**  trans-123.2131.8160.1-71.8-154.6160.800111.4
338S34.5Very low32.3Very low108 Ų108127.1 Ų127.176%0.75571%0.712SS**  trans-98.8108.9-168.856.90000112.2
339F25.8Very low32.8Very low180 Ų180129.6 Ų129.679%0.78972%0.721SS**  trans-108.3102.9167.6-85.4-85.4000111.2S341F339-S341 PolarHBondContact O-N 3.01Å
340N33.3Very low33.4Very low176 Ų176128.5 Ų128.594%0.94172%0.719SS**  trans-75.286.3173.6-76.3-16000110.7
341S31.7Very low34.8Very low77 Ų77122 Ų12254%0.53869%0.685SS.*  trans-112.4136.4161.554.30000109.7F339 M343F339-S341 PolarHBondContact O-N 3.01Å; S341-M343 PolarHBondContact O-N 3.47Å
342N33.1Very low36.2Very low175 Ų175115.5 Ų115.594%0.93666%0.659SS**  trans-64.694.5178.4-80-3.7000110.9S344N342-S344 PolarHBondContact O-N 3.13Å
343M41Very low37.7Very low107 Ų107105.1 Ų105.153%0.52762%0.62SS.*  trans-59.1133.5172.3-72-87.594.300110.4S341 N345S341-M343 PolarHBondContact O-N 3.47Å; M343-N345 PolarHBondContact O-N 2.89Å; M343-N345 VanDerWaalsContact O-N 3.1Å
344S38.4Very low39.3Very low61 Ų61102 Ų10243%0.42760%0.596SS.*  trans-77.598.4-173.5-177.20000110.8N342 G346 K659N342-S344 PolarHBondContact O-N 3.13Å; S344-G346 PolarHBondContact O-N 2.8Å; S344-K659 WeakPolarHBondContact OG-CE 3.26Å; S344-K659 PolarHBondContact OG-NZ 2.84Å
345N41.5Very low40.5Very low124 Ų12499.6 Ų99.666%0.66357%0.574SS**  trans-75.240.2-178.2-151.613.6000113.7M343M343-N345 PolarHBondContact O-N 2.89Å; M343-N345 VanDerWaalsContact O-N 3.1Å
346G39.6Very low41.3Very low33 Ų3396.3 Ų96.334%0.3455%0.549SS..  trans-143.2110.5-16600000113.2S344 T348S344-G346 PolarHBondContact O-N 2.8Å; G346-T348 PolarHBondContact O-N 3.06Å; G346-T348 VanDerWaalsContact O-N 3.17Å
347T47.3Very low41.9Very low60 Ų6093.8 Ų93.837%0.36853%0.531SS..  trans-64.1100.4151.747.40000108.2D349 K656T347-D349 PolarHBondContact O-N 2.93Å; T347-K656 HydrophobicContact CG2-CB 3.77Å; T347-K656 HydrophobicContact CG2-CG 3.86Å
348T36.4Very low42.5Very low93 Ų9390.7 Ų90.757%0.57152%0.52SS*.  trans-66.9129.7167.516.50000109.4G346G346-T348 PolarHBondContact O-N 3.06Å; G346-T348 VanDerWaalsContact O-N 3.17Å
349D37.6Very low42.9Very low169 Ų16996.2 Ų96.290%0.90452%0.524SS*.SBendtrans-52.7142.5176.3-125.9-28.8000110.9T347T347-D349 PolarHBondContact O-N 2.93Å
350A38.6Very low43.8Very low96 Ų9694.3 Ų94.379%0.79352%0.522SS*.SBendtrans65.842.4-172.700000117.1
351D53.5Low44.6Very low37 Ų3788.1 Ų88.120%0.19849%0.489CS..  trans-62149.4163.6-174.330000111.7F353 D354 R669D351-F353 PolarHBondContact O-N 2.73Å; D351-D354 HydrophobicContact CB-CB 4.46Å; D351-D354 PolarHBondContact O-N 2.88Å; D351-D354 VanDerWaalsContact O-N 3.12Å; D351-R669 IonicContact OD2-NH1 3.65Å; D351-R669 PolarHBondContact OD2-NH1 3.08Å
352M55.6Low45.2Very low58 Ų5892.3 Ų92.329%0.28651%0.506SS..THydrogen-bonded Turntrans-62.7-19.7-173.5-175.3157.3-130.100113.5T676 L677 K680M352-T676 HydrophobicContact CG-CG2 4.26Å; M352-L677 HydrophobicContact CE-CB 4.19Å; M352-L677 HydrophobicContact CE-CD1 3.67Å; M352-L677 HydrophobicContact SD-CB 4.23Å; M352-L677 HydrophobicContact SD-CD1 4.4Å; M352-K680 HydrophobicContact CE-CB 4.38Å; M352-K680 HydrophobicContact CE-CD 3.85Å; M352-K680 HydrophobicContact CG-CD 4.13Å; M352-K680 VanDerWaalsContact O-CE 3.22Å; M352-K680 WeakPolarHBondContact O-CE 3.09Å; M352-K680 PolarHBondContact O-NZ 2.59Å
353F57.9Low45.9Very low5 Ų587.2 Ų87.22%0.02248%0.481CS..THydrogen-bonded Turntrans-103.7-9.5179.3-74.6-98.3000114.4D351 H356 L660 R669 T676D351-F353 PolarHBondContact O-N 2.73Å; F353-H356 PolarHBondContact O-CD2 3.3Å; F353-L660 HydrophobicContact CD2-CD2 4.31Å; F353-L660 HydrophobicContact CE2-CD1 4.33Å; F353-L660 HydrophobicContact CE2-CD2 3.98Å; F353-R669 HydrophobicContact CB-CG 4.09Å; F353-R669 VanDerWaalsContact CB-NE 3.34Å; F353-R669 HydrophobicContact CD1-CB 4.12Å; F353-R669 HydrophobicContact CD1-CG 3.71Å; F353-R669 HydrophobicContact CD2-CB 3.83Å; F353-R669 HydrophobicContact CD2-CG 4.03Å; F353-R669 HydrophobicContact CE1-CB 4.06Å; F353-R669 HydrophobicContact CE1-CG 4.07Å; F353-R669 HydrophobicContact CE2-CB 3.79Å; F353-R669 HydrophobicContact CE2-CG 4.39Å; F353-R669 VanDerWaalsContact CE2-O 3.28Å; F353-R669 WeakPolarHBondContact CE2-O 3.48Å; F353-R669 HydrophobicContact CG-CB 4Å; F353-R669 HydrophobicContact CG-CG 3.67Å; F353-R669 HydrophobicContact CZ-CB 3.9Å; F353-R669 HydrophobicContact CZ-CG 4.4Å; F353-R669 WeakPolarHBondContact CZ-O 3.27Å; F353-T676 HydrophobicContact CD1-CG2 4.12Å; F353-T676 HydrophobicContact CD2-CG2 4.49Å; F353-T676 HydrophobicContact CE1-CG2 3.83Å; F353-T676 WeakPolarHBondContact CE1-OG1 3.21Å; F353-T676 HydrophobicContact CE2-CG2 4.2Å; F353-T676 HydrophobicContact CG-CG2 4.45Å; F353-T676 HydrophobicContact CZ-CG2 3.87Å
354D58.3Low46.4Very low50 Ų5083.8 Ų83.827%0.26746%0.463SS..THydrogen-bonded Turntrans-93.2-7.1-175.1-70.4-30.1000114.2D351 H356 R669D351-D354 HydrophobicContact CB-CB 4.46Å; D351-D354 PolarHBondContact O-N 2.88Å; D351-D354 VanDerWaalsContact O-N 3.12Å; D354-H356 PolarHBondContact O-N 3.49Å; D354-R669 IonicContact OD1-CZ 2.65Å; D354-R669 VanDerWaalsContact OD1-CZ 3.27Å; D354-R669 IonicContact OD1-NH1 3.35Å; D354-R669 PolarHBondContact OD1-NH1 3.33Å; D354-R669 IonicContact OD1-NH2 3.61Å; D354-R669 PolarHBondContact OD1-NH2 3.49Å; D354-R669 IonicContact OD2-NH1 3.89Å; D354-R669 PolarHBondContact OD2-NH1 2.99Å
355S51.2Low47Very low38 Ų3882.3 Ų82.327%0.26646%0.458SS..G310 helixtrans-76.525.2-17790.50000114.9D357 D358 K680S355-D357 PolarHBondContact O-N 2.93Å; S355-D358 WeakPolarHBondContact CB-OD2 3.41Å; S355-D358 PolarHBondContact O-N 3.17Å; S355-K680 WeakPolarHBondContact OG-CE 3.29Å; S355-K680 PolarHBondContact OG-NZ 3.23Å
356H50.3Low47.3Very low72 Ų7282.7 Ų82.733%0.33346%0.456SS..G310 helixtrans-70.1-8.8173-75.6-81.4000112.9F353 D354F353-H356 PolarHBondContact O-CD2 3.3Å; D354-H356 PolarHBondContact O-N 3.49Å
357D46.2Very low48.1Very low75 Ų7582.8 Ų82.840%0.40145%0.451SS..G310 helixtrans-92.5-6.3175.2-89-27.1000114.3S355 R359 K654S355-D357 PolarHBondContact O-N 2.93Å; D357-R359 PolarHBondContact O-N 3.45Å; D357-K654 WeakPolarHBondContact OD2-CE 3.35Å; D357-K654 IonicContact OD2-NZ 2.69Å; D357-K654 PolarHBondContact OD2-NZ 3.4Å
358D41.1Very low48.6Very low110 Ų11080.8 Ų80.859%0.58844%0.439SS*.  trans-77.1115.4-176.9-75.8-30.7000110.7S355 D360S355-D358 WeakPolarHBondContact CB-OD2 3.41Å; S355-D358 PolarHBondContact O-N 3.17Å; D358-D360 PolarHBondContact O-N 3.2Å
359R43.3Very low49.7Very low224 Ų22482.6 Ų82.685%0.84544%0.441SS*.SBendtrans-77.423.1-167.1-79.3168.1-88.6170.6-5.8115D357 D361D357-R359 PolarHBondContact O-N 3.45Å; R359-D361 VanDerWaalsContact C-N 3.3Å
360D43.6Very low51.1Low141 Ų14181.7 Ų81.775%0.75443%0.431SS*.G310 helixtrans-90.58.5-179-64.8-22.4000112.8D358 D362D358-D360 PolarHBondContact O-N 3.2Å; D360-D362 PolarHBondContact O-N 3.16Å
361D49.8Very low52.4Low45 Ų4579.3 Ų79.324%0.24140%0.403CS..G310 helixtrans-74.8-5.9-178.4-147.573.8000113.8R359 T363 E364 K451R359-D361 VanDerWaalsContact C-N 3.3Å; D361-T363 PolarHBondContact O-N 3.37Å; D361-E364 PolarHBondContact O-N 3.44Å; D361-E364 WeakPolarHBondContact OD1-CG 3.27Å; D361-K451 IonicContact OD1-NZ 2.62Å; D361-K451 PolarHBondContact OD1-NZ 2.91Å; D361-K451 IonicContact OD2-NZ 2.78Å; D361-K451 PolarHBondContact OD2-NZ 3.23Å
362D44.8Very low53.1Low166 Ų16681.2 Ų81.289%0.88841%0.41SS*.G310 helixtrans-55.9-14.1177.8-88.8-16.7000113.7D360D360-D362 PolarHBondContact O-N 3.16Å
363T48.4Very low53.6Low68 Ų6882.7 Ų82.742%0.41743%0.426SS..G310 helixtrans-91.9-15173.5-22.90000114.5D361 G365 E366D361-T363 PolarHBondContact O-N 3.37Å; T363-G365 PolarHBondContact O-N 3.49Å; T363-E366 WeakPolarHBondContact CG2-OE2 3.36Å; T363-E366 PolarHBondContact O-N 3.32Å
364E51.8Low54.3Low34 Ų3485.5 Ų85.516%0.15944%0.444CS..Hα-helixtrans-71.3-14.7-173.9-67.9-156.9166.400113.5D361 E366 S367 R400 K451D361-E364 PolarHBondContact O-N 3.44Å; D361-E364 WeakPolarHBondContact OD1-CG 3.27Å; E364-E366 PolarHBondContact O-N 3.21Å; E364-S367 PolarHBondContact O-N 3.39Å; E364-R400 IonicContact OE1-CZ 3.14Å; E364-R400 IonicContact OE1-NH1 2.71Å; E364-R400 PolarHBondContact OE1-NH1 2.96Å; E364-R400 IonicContact OE1-NH2 2.71Å; E364-R400 PolarHBondContact OE1-NH2 2.9Å; E364-K451 WeakPolarHBondContact OE2-CE 3.43Å; E364-K451 IonicContact OE2-NZ 2.64Å; E364-K451 PolarHBondContact OE2-NZ 3.17Å
365G49.1Very low54.9Low30 Ų3084.2 Ų84.231%0.30944%0.436SS..Hα-helixtrans-60.4-30.5169.700000113.9T363T363-G365 PolarHBondContact O-N 3.49Å
366E48.4Very low55.7Low133 Ų13386.7 Ų86.762%0.62145%0.445SS*.Hα-helixtrans-72.6-35.2-179.6-56.4-173.4145.600111.7T363 E364 V368 E369 E370T363-E366 WeakPolarHBondContact CG2-OE2 3.36Å; T363-E366 PolarHBondContact O-N 3.32Å; E364-E366 PolarHBondContact O-N 3.21Å; E366-V368 VanDerWaalsContact C-N 3.35Å; E366-V368 PolarHBondContact O-N 2.95Å; E366-E369 PolarHBondContact O-N 2.94Å; E366-E369 VanDerWaalsContact O-N 3.1Å; E366-E370 PolarHBondContact O-N 2.93Å
367S55.9Low56.6Low34 Ų3486 Ų8624%0.23844%0.441CS..Hα-helixtrans-60.7-38.9178.8171.70000113.1E364 E369 E370 H371E364-S367 PolarHBondContact O-N 3.39Å; S367-E369 VanDerWaalsContact C-N 3.28Å; S367-E369 PolarHBondContact O-N 2.95Å; S367-E370 PolarHBondContact O-N 3.06Å; S367-H371 PolarHBondContact O-CD2 2.88Å; S367-H371 PolarHBondContact O-N 3.41Å
368V58.4Low57.8Low19 Ų1983.9 Ų83.912%0.11543%0.43CS..Hα-helixtrans-68.8-29177.7-177.40000111.6E366 K372 I375 T570E366-V368 VanDerWaalsContact C-N 3.35Å; E366-V368 PolarHBondContact O-N 2.95Å; V368-K372 PolarHBondContact O-N 3.02Å; V368-I375 HydrophobicContact CG1-CD1 4.04Å; V368-T570 WeakPolarHBondContact CG1-O 3.36Å
369E60.8Low59Low130 Ų13080.5 Ų80.561%0.60741%0.412SS*.Hα-helixtrans-79.4-37.3174.4-59.1-146126.900112.3E366 S367 K372E366-E369 PolarHBondContact O-N 2.94Å; E366-E369 VanDerWaalsContact O-N 3.1Å; S367-E369 VanDerWaalsContact C-N 3.28Å; S367-E369 PolarHBondContact O-N 2.95Å; E369-K372 WeakPolarHBondContact O-CB 3.36Å; E369-K372 PolarHBondContact O-N 3.43Å
370E65.3Low60Low150 Ų15072.5 Ų72.570%0.70139%0.39SS*.Hα-helixtrans-61.2-48.7174.1-177.7169.4-158.900111.9E366 S367 K372E366-E370 PolarHBondContact O-N 2.93Å; S367-E370 PolarHBondContact O-N 3.06Å; E370-K372 VanDerWaalsContact C-N 3.27Å; E370-K372 PolarHBondContact O-N 2.71Å
371H67.7Low61.2Low46 Ų4671 Ų7121%0.21338%0.378CS..THydrogen-bonded Turntrans-86.111.7-178-61.6-46.5000114.8S367 S373 V374 I375 F396S367-H371 PolarHBondContact O-CD2 2.88Å; S367-H371 PolarHBondContact O-N 3.41Å; H371-S373 PolarHBondContact O-N 3.18Å; H371-S373 VanDerWaalsContact O-N 3.11Å; H371-V374 WeakPolarHBondContact O-CB 3.31Å; H371-V374 PolarHBondContact O-N 3.06Å; H371-I375 PolarHBondContact O-N 3.29Å; H371-F396 HydrophobicContact CB-CD1 3.95Å; H371-F396 HydrophobicContact CB-CD2 4.36Å; H371-F396 HydrophobicContact CB-CE1 3.31Å; H371-F396 HydrophobicContact CB-CE2 3.81Å; H371-F396 HydrophobicContact CB-CG 4.44Å; H371-F396 HydrophobicContact CB-CZ 3.26Å; H371-F396 AromaticContact CD2-CD1 3.42Å; H371-F396 VanDerWaalsContact CD2-CD1 3.42Å; H371-F396 WeakPolarHBondContact CD2-CD1 3.48Å; H371-F396 AromaticContact CD2-CD2 3.76Å; H371-F396 AromaticContact CD2-CE1 3.78Å; H371-F396 AromaticContact CD2-CG 3.43Å; H371-F396 VanDerWaalsContact CD2-CG 3.43Å; H371-F396 WeakPolarHBondContact CD2-CG 3.34Å; H371-F396 AromaticContact CG-CD1 3.77Å; H371-F396 AromaticContact CG-CE1 3.67Å
372K66.4Low62.2Low77 Ų7769.5 Ų69.534%0.33537%0.371SS..Hα-helixtrans-57.6-27.5-176.8-171.4171.3-167.2160.70114.5V368 E369 E370 M376V368-K372 PolarHBondContact O-N 3.02Å; E369-K372 WeakPolarHBondContact O-CB 3.36Å; E369-K372 PolarHBondContact O-N 3.43Å; E370-K372 VanDerWaalsContact C-N 3.27Å; E370-K372 PolarHBondContact O-N 2.71Å; K372-M376 WeakPolarHBondContact O-CB 3.32Å; K372-M376 VanDerWaalsContact O-CG 3.31Å; K372-M376 WeakPolarHBondContact O-CG 3.2Å; K372-M376 PolarHBondContact O-N 3.32Å
373S67.4Low63.4Low89 Ų8969.9 Ų69.962%0.62236%0.36SS*.Hα-helixtrans-64.9-41.2173.453.80000112.5H371 M376 H377H371-S373 PolarHBondContact O-N 3.18Å; H371-S373 VanDerWaalsContact O-N 3.11Å; S373-M376 PolarHBondContact O-N 2.69Å; S373-H377 PolarHBondContact O-N 3.07Å
374V72.1Confident64.4Low65 Ų6568.6 Ų68.639%0.39435%0.351SS..Hα-helixtrans-67.4-44.2176.9-175.30000110.2H371 H377 L378 P394H371-V374 WeakPolarHBondContact O-CB 3.31Å; H371-V374 PolarHBondContact O-N 3.06Å; V374-H377 PolarHBondContact O-N 2.7Å; V374-L378 HydrophobicContact CG1-CD1 4.39Å; V374-L378 PolarHBondContact O-N 3.11Å; V374-P394 HydrophobicContact CG1-CG 4.07Å
375I70.3Confident65.3Low22 Ų2269.1 Ų69.111%0.11337%0.366CS..Hα-helixtrans-58.7-50.8174.8-58.4177.1000110V368 H371 H377 L378 L379 F396 I568V368-I375 HydrophobicContact CG1-CD1 4.04Å; H371-I375 PolarHBondContact O-N 3.29Å; I375-H377 VanDerWaalsContact C-N 3.29Å; I375-H377 PolarHBondContact O-N 2.66Å; I375-L378 PolarHBondContact O-N 2.71Å; I375-L379 HydrophobicContact CG2-CD1 3.71Å; I375-L379 HydrophobicContact CG2-CG 4.19Å; I375-L379 VanDerWaalsContact O-CB 3.31Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 VanDerWaalsContact O-CG 3.24Å; I375-L379 WeakPolarHBondContact O-CG 3.48Å; I375-L379 PolarHBondContact O-N 2.78Å; I375-F396 HydrophobicContact CD1-CE2 4.17Å; I375-F396 HydrophobicContact CD1-CZ 3.97Å; I375-F396 HydrophobicContact CG1-CE2 4.5Å; I375-F396 HydrophobicContact CG1-CZ 3.83Å; I375-I568 WeakPolarHBondContact CG2-O 3.46Å
376M68.4Low66.6Low91 Ų9171 Ų7145%0.44837%0.367SS..Hα-helixtrans-60.1-36.1176.9-78.3-71.2-166.500113K372 S373 S380 L569K372-M376 WeakPolarHBondContact O-CB 3.32Å; K372-M376 VanDerWaalsContact O-CG 3.31Å; K372-M376 WeakPolarHBondContact O-CG 3.2Å; K372-M376 PolarHBondContact O-N 3.32Å; S373-M376 PolarHBondContact O-N 2.69Å; M376-S380 WeakPolarHBondContact O-CB 3.23Å; M376-S380 PolarHBondContact O-N 3.23Å; M376-L569 HydrophobicContact CE-CD2 3.7Å; M376-L569 HydrophobicContact SD-CD2 3.58Å; M376-L569 VanDerWaalsContact SD-CD2 3.58Å
377H70.3Confident68Low56 Ų5667.5 Ų67.526%0.25935%0.353SS..Hα-helixtrans-66.2-51.7176.2-173.4-2.8000111.5R106 S373 V374 I375 L379 S380R106-H377 PolarHBondContact NH2-CE1 2.79Å; R106-H377 VanDerWaalsContact NH2-CE1 3.31Å; R106-H377 PolarHBondContact NH2-NE2 2.71Å; S373-H377 PolarHBondContact O-N 3.07Å; V374-H377 PolarHBondContact O-N 2.7Å; I375-H377 VanDerWaalsContact C-N 3.29Å; I375-H377 PolarHBondContact O-N 2.66Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.48Å; H377-S380 WeakPolarHBondContact O-CB 3.17Å; H377-S380 PolarHBondContact O-N 2.9Å; H377-S380 PolarHBondContact O-OG 2.78Å
378L69.6Low68.8Low32 Ų3266.4 Ų66.417%0.16834%0.344CS..Hα-helixtrans-59.7-42.2178-69.5171.1000111.1V374 I375 S380 Q381 V382 P394V374-L378 HydrophobicContact CG1-CD1 4.39Å; V374-L378 PolarHBondContact O-N 3.11Å; I375-L378 PolarHBondContact O-N 2.71Å; L378-S380 PolarHBondContact O-N 2.71Å; L378-Q381 WeakPolarHBondContact O-CB 3.42Å; L378-Q381 PolarHBondContact O-N 2.98Å; L378-V382 PolarHBondContact O-N 3.13Å; L378-P394 HydrophobicContact CD1-CG 3.52Å
379L67.7Low69.3Low38 Ų3869.1 Ų69.120%0.19936%0.361CS..Hα-helixtrans-69.4-13.7177.9-65.7-174.2000114.2I375 H377 V382 F532 I568 L569I375-L379 HydrophobicContact CG2-CD1 3.71Å; I375-L379 HydrophobicContact CG2-CG 4.19Å; I375-L379 VanDerWaalsContact O-CB 3.31Å; I375-L379 WeakPolarHBondContact O-CB 3.42Å; I375-L379 VanDerWaalsContact O-CG 3.24Å; I375-L379 WeakPolarHBondContact O-CG 3.48Å; I375-L379 PolarHBondContact O-N 2.78Å; H377-L379 VanDerWaalsContact C-N 3.28Å; H377-L379 PolarHBondContact O-N 3.48Å; L379-V382 HydrophobicContact CD2-CG2 4.06Å; L379-F532 HydrophobicContact CD2-CD2 4.34Å; L379-F532 HydrophobicContact CD2-CE2 3.47Å; L379-F532 VanDerWaalsContact CD2-CE2 3.47Å; L379-F532 HydrophobicContact CD2-CZ 3.91Å; L379-I568 HydrophobicContact CD1-CD1 4.2Å; L379-I568 HydrophobicContact CD1-CG1 4.1Å; L379-I568 HydrophobicContact CD2-CD1 4.25Å; L379-L569 HydrophobicContact CD1-CD1 4.43Å; L379-L569 HydrophobicContact CD1-CD2 3.56Å; L379-L569 HydrophobicContact CD1-CG 3.74Å
380S64.3Low69.6Low56 Ų5671.7 Ų71.739%0.39237%0.37SS..Hα-helixtrans-83.5-13169.974.50000114.2M376 H377 L378M376-S380 WeakPolarHBondContact O-CB 3.23Å; M376-S380 PolarHBondContact O-N 3.23Å; H377-S380 WeakPolarHBondContact O-CB 3.17Å; H377-S380 PolarHBondContact O-N 2.9Å; H377-S380 PolarHBondContact O-OG 2.78Å; L378-S380 PolarHBondContact O-N 2.71Å
381Q67.6Low70Confident109 Ų10965.7 Ų65.751%0.50934%0.343SS..Hα-helixtrans-94.3-30.2179.4-66.6167.9-48.200112.5L378L378-Q381 WeakPolarHBondContact O-CB 3.42Å; L378-Q381 PolarHBondContact O-N 2.98Å
382V70.8Confident70.2Confident15 Ų1568.3 Ų68.39%0.09136%0.363CS..  trans-80.2153.2179.3-53.20000111.9L378 L379 M386 L388 V391 F532L378-V382 PolarHBondContact O-N 3.13Å; L379-V382 HydrophobicContact CD2-CG2 4.06Å; V382-M386 HydrophobicContact CB-CE 3.86Å; V382-M386 HydrophobicContact CG1-CE 3.69Å; V382-L388 HydrophobicContact CB-CD2 4.35Å; V382-L388 HydrophobicContact CG1-CD2 3.8Å; V382-V391 HydrophobicContact CG1-CG1 4.27Å; V382-V391 HydrophobicContact CG1-CG2 3.99Å; V382-F532 HydrophobicContact CB-CD1 4.28Å; V382-F532 HydrophobicContact CB-CG 4.33Å; V382-F532 HydrophobicContact CG2-CD1 3.6Å; V382-F532 HydrophobicContact CG2-CD2 3.88Å; V382-F532 HydrophobicContact CG2-CE1 3.48Å; V382-F532 VanDerWaalsContact CG2-CE1 3.48Å; V382-F532 HydrophobicContact CG2-CE2 3.79Å; V382-F532 HydrophobicContact CG2-CG 3.78Å; V382-F532 HydrophobicContact CG2-CZ 3.57Å
383R71.1Confident70.6Confident173 Ų17366.2 Ų66.265%0.65336%0.355SS*.  trans-117154.6174-60.8-174.3-172.8179.84.6110.9G385 M386 F532R383-G385 PolarHBondContact O-N 3.28Å; R383-M386 WeakPolarHBondContact O-CB 3.32Å; R383-M386 PolarHBondContact O-N 3.14Å; R383-F532 WeakPolarHBondContact O-CD1 3.18Å
384L69.6Low71.2Confident41 Ų4163 Ų6322%0.21533%0.332CS..THydrogen-bonded Turntrans-58.9135.2177.3-175.7148.7000110.9I58 I60 I91 E95 M386I58-L384 HydrophobicContact CG2-CD1 4.1Å; I60-L384 HydrophobicContact CB-CD1 4.47Å; I60-L384 HydrophobicContact CD1-CD1 4.14Å; I60-L384 HydrophobicContact CD1-CD2 3.79Å; I60-L384 HydrophobicContact CD1-CG 3.92Å; I60-L384 HydrophobicContact CG1-CD1 3.89Å; I60-L384 HydrophobicContact CG1-CD2 4.47Å; I60-L384 HydrophobicContact CG1-CG 4.16Å; I60-L384 HydrophobicContact CG2-CD1 3.83Å; I91-L384 HydrophobicContact CG2-CD1 3.75Å; I91-L384 HydrophobicContact CG2-CD2 4.07Å; I91-L384 HydrophobicContact CG2-CG 4.44Å; E95-L384 WeakPolarHBondContact OE1-CB 3.26Å; E95-L384 PolarHBondContact OE1-N 3.07Å; L384-M386 VanDerWaalsContact C-N 3.26Å; L384-M386 PolarHBondContact O-N 2.62Å
385G69.3Low71.7Confident46 Ų4660.3 Ų60.347%0.47432%0.315SS..THydrogen-bonded Turntrans79.4-8.3-173.100000115.6R383 F532R383-G385 PolarHBondContact O-N 3.28Å; G385-F532 PolarHBondContact N-O 2.95Å
386M77.1Confident72.1Confident69 Ų6960.5 Ų60.534%0.3432%0.315SS..  trans-66.7143.8-178.7-164.6-179.897.500112.1V382 R383 L384 V391 F532V382-M386 HydrophobicContact CB-CE 3.86Å; V382-M386 HydrophobicContact CG1-CE 3.69Å; R383-M386 WeakPolarHBondContact O-CB 3.32Å; R383-M386 PolarHBondContact O-N 3.14Å; L384-M386 VanDerWaalsContact C-N 3.26Å; L384-M386 PolarHBondContact O-N 2.62Å; M386-V391 HydrophobicContact CE-CG2 3.55Å; M386-F532 PolarHBondContact O-N 2.7Å
387D76.9Confident72.8Confident60 Ų6058.1 Ų58.132%0.32130%0.304SS..  trans-71.4135.3173.4-160.7-48.2000110.6T389 S530D387-T389 WeakPolarHBondContact OD1-CB 3.47Å; D387-T389 VanDerWaalsContact OD1-CG2 3.31Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.34Å; D387-T389 PolarHBondContact OD1-N 3.36Å; D387-T389 PolarHBondContact OD1-OG1 3.09Å; D387-S530 WeakPolarHBondContact CA-O 3.31Å
388L74Confident73.5Confident10 Ų1056.1 Ų56.15%0.05230%0.296CS..SBendtrans-101.9-1.1-176.7-65.6176.3000113.8V382 K390 V391 F532 I537V382-L388 HydrophobicContact CB-CD2 4.35Å; V382-L388 HydrophobicContact CG1-CD2 3.8Å; L388-K390 PolarHBondContact O-N 2.88Å; L388-V391 HydrophobicContact CD2-CB 4.17Å; L388-V391 HydrophobicContact CD2-CG2 3.79Å; L388-V391 PolarHBondContact O-N 3.14Å; L388-V391 VanDerWaalsContact O-N 3.09Å; L388-F532 HydrophobicContact CD1-CB 4.05Å; L388-F532 HydrophobicContact CD1-CD2 4.25Å; L388-F532 HydrophobicContact CD2-CB 4.09Å; L388-F532 HydrophobicContact CG-CB 4.12Å; L388-I537 HydrophobicContact CD1-CB 4.26Å; L388-I537 HydrophobicContact CD1-CD1 3.8Å; L388-I537 HydrophobicContact CD1-CG1 3.62Å; L388-I537 HydrophobicContact CD1-CG2 3.74Å
389T68.7Low74.3Confident77 Ų7755.7 Ų55.747%0.47229%0.292SS..THydrogen-bonded Turntrans-60.3-32.5173.851.90000112.6D387D387-T389 WeakPolarHBondContact OD1-CB 3.47Å; D387-T389 VanDerWaalsContact OD1-CG2 3.31Å; D387-T389 WeakPolarHBondContact OD1-CG2 3.34Å; D387-T389 PolarHBondContact OD1-N 3.36Å; D387-T389 PolarHBondContact OD1-OG1 3.09Å
390K67.9Low75.4Confident183 Ų18356.3 Ų56.380%0.79629%0.292SS*.THydrogen-bonded Turntrans-85.60.5175.5-63.4-166175.3-165.80114.5L388L388-K390 PolarHBondContact O-N 2.88Å
391V72.4Confident76.7Confident24 Ų2454.3 Ų54.315%0.14528%0.276CS..SBendtrans-102117.3-177.6-178.60000110.1V382 M386 L388 L393V382-V391 HydrophobicContact CG1-CG1 4.27Å; V382-V391 HydrophobicContact CG1-CG2 3.99Å; M386-V391 HydrophobicContact CE-CG2 3.55Å; L388-V391 HydrophobicContact CD2-CB 4.17Å; L388-V391 HydrophobicContact CD2-CG2 3.79Å; L388-V391 PolarHBondContact O-N 3.14Å; L388-V391 VanDerWaalsContact O-N 3.09Å; V391-L393 HydrophobicContact CG1-CD2 4.17Å; V391-L393 PolarHBondContact O-N 3.11Å; V391-L393 VanDerWaalsContact O-N 3.13Å
392V72.1Confident78Confident102 Ų10249.2 Ų49.262%0.61825%0.252SS*.  trans-69.7109.3172.9-176.20000108.8
393L75.9Confident79.1Confident33 Ų3349.6 Ų49.617%0.17325%0.254CS..  trans-85.4152.8174.8-59.7175.3000110.6V391 I397 K452V391-L393 HydrophobicContact CG1-CD2 4.17Å; V391-L393 PolarHBondContact O-N 3.11Å; V391-L393 VanDerWaalsContact O-N 3.13Å; L393-I397 HydrophobicContact CB-CD1 4.03Å; L393-I397 HydrophobicContact CB-CG1 4.47Å; L393-I397 HydrophobicContact CD1-CD1 4.18Å; L393-K452 HydrophobicContact CD1-CD 3.84Å
394P79.1Confident80.4Confident21 Ų2141.3 Ų41.314%0.13622%0.223CC..  trans-65.6145.6-175-20.933.9000113.1V374 L378 F396 I397V374-P394 HydrophobicContact CG1-CG 4.07Å; L378-P394 HydrophobicContact CD1-CG 3.52Å; P394-F396 VanDerWaalsContact C-N 3.25Å; P394-F396 HydrophobicContact CB-CD1 3.44Å; P394-F396 VanDerWaalsContact CB-CD1 3.44Å; P394-F396 HydrophobicContact CB-CE1 3.16Å; P394-F396 HydrophobicContact CB-CG 4.35Å; P394-F396 HydrophobicContact CB-CZ 3.89Å; P394-F396 HydrophobicContact CG-CD1 4.45Å; P394-F396 HydrophobicContact CG-CE1 3.71Å; P394-F396 HydrophobicContact CG-CZ 4.07Å; P394-F396 PolarHBondContact O-N 2.88Å; P394-I397 WeakPolarHBondContact O-CG1 3.45Å; P394-I397 PolarHBondContact O-N 2.96Å
395T83.3Confident81.6Confident8 Ų839.5 Ų39.55%0.04921%0.213CC..G310 helixtrans-63.3-30-178.3-44.70000112.8I397 L398 L679 A687 T688T395-I397 VanDerWaalsContact C-N 3.27Å; T395-I397 PolarHBondContact O-N 2.77Å; T395-L398 HydrophobicContact CG2-CD1 3.96Å; T395-L398 VanDerWaalsContact O-CB 3.3Å; T395-L398 WeakPolarHBondContact O-CB 3.32Å; T395-L398 WeakPolarHBondContact O-CG 3.4Å; T395-L398 PolarHBondContact O-N 2.87Å; T395-L398 VanDerWaalsContact O-N 3.12Å; T395-L679 HydrophobicContact CG2-CD2 4.11Å; T395-L679 HydrophobicContact CG2-CG 4.46Å; T395-A687 HydrophobicContact CG2-CB 3.64Å; T395-T688 WeakPolarHBondContact CB-OG1 3.5Å; T395-T688 WeakPolarHBondContact OG1-CB 3.49Å; T395-T688 PolarHBondContact OG1-OG1 2.96Å
396F78.9Confident82.8Confident26 Ų2638.6 Ų38.611%0.11420%0.197CC..G310 helixtrans-69.2-15.7179.572.6-97.8000114.8H371 I375 P394 L398 I684H371-F396 HydrophobicContact CB-CD1 3.95Å; H371-F396 HydrophobicContact CB-CD2 4.36Å; H371-F396 HydrophobicContact CB-CE1 3.31Å; H371-F396 HydrophobicContact CB-CE2 3.81Å; H371-F396 HydrophobicContact CB-CG 4.44Å; H371-F396 HydrophobicContact CB-CZ 3.26Å; H371-F396 AromaticContact CD2-CD1 3.42Å; H371-F396 VanDerWaalsContact CD2-CD1 3.42Å; H371-F396 WeakPolarHBondContact CD2-CD1 3.48Å; H371-F396 AromaticContact CD2-CD2 3.76Å; H371-F396 AromaticContact CD2-CE1 3.78Å; H371-F396 AromaticContact CD2-CG 3.43Å; H371-F396 VanDerWaalsContact CD2-CG 3.43Å; H371-F396 WeakPolarHBondContact CD2-CG 3.34Å; H371-F396 AromaticContact CG-CD1 3.77Å; H371-F396 AromaticContact CG-CE1 3.67Å; I375-F396 HydrophobicContact CD1-CE2 4.17Å; I375-F396 HydrophobicContact CD1-CZ 3.97Å; I375-F396 HydrophobicContact CG1-CE2 4.5Å; I375-F396 HydrophobicContact CG1-CZ 3.83Å; P394-F396 VanDerWaalsContact C-N 3.25Å; P394-F396 HydrophobicContact CB-CD1 3.44Å; P394-F396 VanDerWaalsContact CB-CD1 3.44Å; P394-F396 HydrophobicContact CB-CE1 3.16Å; P394-F396 HydrophobicContact CB-CG 4.35Å; P394-F396 HydrophobicContact CB-CZ 3.89Å; P394-F396 HydrophobicContact CG-CD1 4.45Å; P394-F396 HydrophobicContact CG-CE1 3.71Å; P394-F396 HydrophobicContact CG-CZ 4.07Å; P394-F396 PolarHBondContact O-N 2.88Å; F396-L398 VanDerWaalsContact C-N 3.31Å; F396-I684 HydrophobicContact CB-CD1 3.87Å; F396-I684 HydrophobicContact CB-CG1 4.29Å; F396-I684 HydrophobicContact CB-CG2 4.22Å
397I81.3Confident83.7Confident42 Ų4235.6 Ų35.622%0.21518%0.181CC..G310 helixtrans-89.74.9173.171.8150.9000112.9L393 P394 T395 K451 K452L393-I397 HydrophobicContact CB-CD1 4.03Å; L393-I397 HydrophobicContact CB-CG1 4.47Å; L393-I397 HydrophobicContact CD1-CD1 4.18Å; P394-I397 WeakPolarHBondContact O-CG1 3.45Å; P394-I397 PolarHBondContact O-N 2.96Å; T395-I397 VanDerWaalsContact C-N 3.27Å; T395-I397 PolarHBondContact O-N 2.77Å; I397-K451 CarbonylContact O-C 3.59Å; I397-K451 WeakPolarHBondContact O-CA 3.27Å; I397-K452 PolarHBondContact O-N 3.03Å
398L86.4Confident84.6Confident14 Ų1432.7 Ų32.77%0.07317%0.166CC..EExtended strand (participates in β ladder)trans-83.9135.3-176.2-59.8178.7000112T395 F396 K452 Y454 L679 K691T395-L398 HydrophobicContact CG2-CD1 3.96Å; T395-L398 VanDerWaalsContact O-CB 3.3Å; T395-L398 WeakPolarHBondContact O-CB 3.32Å; T395-L398 WeakPolarHBondContact O-CG 3.4Å; T395-L398 PolarHBondContact O-N 2.87Å; T395-L398 VanDerWaalsContact O-N 3.12Å; F396-L398 VanDerWaalsContact C-N 3.31Å; L398-K452 CarbonylContact C-O 3.52Å; L398-K452 VanDerWaalsContact CA-O 3.24Å; L398-K452 WeakPolarHBondContact CA-O 3.49Å; L398-K452 HydrophobicContact CD2-CB 4.31Å; L398-K452 WeakPolarHBondContact CD2-O 3.13Å; L398-Y454 HydrophobicContact CB-CD1 4.22Å; L398-Y454 HydrophobicContact CB-CE1 4.01Å; L398-Y454 HydrophobicContact CD1-CD1 4.1Å; L398-Y454 HydrophobicContact CD1-CE1 4.21Å; L398-L679 HydrophobicContact CB-CD1 4.12Å; L398-K691 HydrophobicContact CD1-CD 3.9Å
399E87.1Confident85.6Confident22 Ų2233.1 Ų33.110%0.10317%0.169CC..EExtended strand (participates in β ladder)trans-74.3140.5167.7-159.9-175.9162.800108.2R401 K451 K452 Y454E399-R401 HydrophobicContact CG-CG 4.29Å; E399-R401 PolarHBondContact O-N 3.18Å; E399-R401 IonicContact OE1-CZ 3.36Å; E399-R401 IonicContact OE1-NE 2.93Å; E399-R401 PolarHBondContact OE1-NE 3.37Å; E399-R401 IonicContact OE1-NH2 3.63Å; E399-R401 PolarHBondContact OE1-NH2 3.02Å; E399-K451 HydrophobicContact CB-CB 3.79Å; E399-K451 HydrophobicContact CG-CB 4.24Å; E399-K452 PolarHBondContact N-O 2.83Å; E399-Y454 VanDerWaalsContact O-CE1 3.25Å; E399-Y454 WeakPolarHBondContact O-CE1 3.36Å
400R90.4Very high86.9Confident52 Ų5230.3 Ų30.320%0.19615%0.15CC..EExtended strand (participates in β ladder)trans-73.225.4-166.4-64.1178.4175.4105.57.7115.4E364 Y454 T676 L679E364-R400 IonicContact OE1-CZ 3.14Å; E364-R400 IonicContact OE1-NH1 2.71Å; E364-R400 PolarHBondContact OE1-NH1 2.96Å; E364-R400 IonicContact OE1-NH2 2.71Å; E364-R400 PolarHBondContact OE1-NH2 2.9Å; R400-Y454 WeakPolarHBondContact CA-OH 3.44Å; R400-T676 HydrophobicContact CB-CG2 4.3Å; R400-T676 PolarHBondContact O-OG1 3.35Å; R400-L679 HydrophobicContact CG-CB 4.28Å; R400-L679 PolarHBondContact NE-O 2.89Å; R400-L679 PolarHBondContact NH2-O 3.1Å
401R91.5Very high88.3Confident14 Ų1421.6 Ų21.65%0.05311%0.112CC..EExtended strand (participates in β ladder)trans-153.6162.2-173.362.1-176.5179.715111113.2E399 E405 D409 P453 Y454E399-R401 HydrophobicContact CG-CG 4.29Å; E399-R401 PolarHBondContact O-N 3.18Å; E399-R401 IonicContact OE1-CZ 3.36Å; E399-R401 IonicContact OE1-NE 2.93Å; E399-R401 PolarHBondContact OE1-NE 3.37Å; E399-R401 IonicContact OE1-NH2 3.63Å; E399-R401 PolarHBondContact OE1-NH2 3.02Å; R401-E405 HydrophobicContact CB-CG 4.46Å; R401-D409 IonicContact CZ-OD2 3.41Å; R401-D409 VanDerWaalsContact NH1-CG 3.28Å; R401-D409 IonicContact NH1-OD1 3.21Å; R401-D409 PolarHBondContact NH1-OD1 3.42Å; R401-D409 VanDerWaalsContact NH1-OD1 3.11Å; R401-D409 IonicContact NH1-OD2 2.59Å; R401-D409 PolarHBondContact NH1-OD2 3.18Å; R401-D409 IonicContact NH2-OD2 2.66Å; R401-D409 PolarHBondContact NH2-OD2 3.47Å; R401-P453 WeakPolarHBondContact O-CA 3.24Å; R401-P453 WeakPolarHBondContact O-CB 3.25Å; R401-Y454 WeakPolarHBondContact O-CD2 3.16Å; R401-Y454 PolarHBondContact O-N 3.23Å
402S94.9Very high89.3Confident1 Ų120.8 Ų20.81%0.00711%0.108CC..EExtended strand (participates in β ladder)trans-75.8153.8178.8177.60000113.4L404 E405 M406 E460S402-L404 PolarHBondContact O-N 3.49Å; S402-L404 PolarHBondContact OG-N 2.82Å; S402-E405 PolarHBondContact O-N 2.85Å; S402-E405 VanDerWaalsContact O-N 3.09Å; S402-M406 PolarHBondContact O-N 3.43Å; S402-E460 WeakPolarHBondContact CB-OE1 3.41Å; S402-E460 PolarHBondContact OG-OE1 2.92Å
403L94.4Very high90.4Very high23 Ų2316.2 Ų16.212%0.128%0.08CC..Hα-helixtrans-57.7-34.3171.3-175.269.2000112.1E405 M406 Y407 P453 Y454 P456L403-E405 VanDerWaalsContact C-N 3.33Å; L403-E405 PolarHBondContact O-N 2.79Å; L403-M406 HydrophobicContact CD1-CE 3.57Å; L403-M406 HydrophobicContact CD1-SD 4.28Å; L403-M406 WeakPolarHBondContact O-CB 3.34Å; L403-M406 PolarHBondContact O-N 2.81Å; L403-M406 VanDerWaalsContact O-N 3.15Å; L403-Y407 HydrophobicContact CD1-CE2 4.19Å; L403-Y407 HydrophobicContact CD2-CE2 3.92Å; L403-Y407 HydrophobicContact CG-CD2 4.26Å; L403-Y407 HydrophobicContact CG-CE2 3.6Å; L403-Y407 VanDerWaalsContact O-CD2 3.3Å; L403-Y407 WeakPolarHBondContact O-CD2 3.24Å; L403-Y407 PolarHBondContact O-N 2.91Å; L403-P453 HydrophobicContact CB-CB 4.4Å; L403-P453 HydrophobicContact CB-CG 4.28Å; L403-P453 HydrophobicContact CD1-CG 3.73Å; L403-Y454 PolarHBondContact N-O 3.1Å; L403-Y454 VanDerWaalsContact N-O 3.07Å; L403-P456 HydrophobicContact CB-CG 3.74Å
404L97.1Very high91.4Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-62.6-40.9175-58-167.3000111.7S402 M406 Y407 P456 E460 F462 A499 Q501S402-L404 PolarHBondContact O-N 3.49Å; S402-L404 PolarHBondContact OG-N 2.82Å; L404-M406 VanDerWaalsContact C-N 3.34Å; L404-Y407 PolarHBondContact O-N 3.48Å; L404-P456 HydrophobicContact CD1-CB 4.48Å; L404-P456 HydrophobicContact CD2-CB 4.38Å; L404-P456 HydrophobicContact CD2-CG 4Å; L404-P456 HydrophobicContact CG-CB 4.07Å; L404-P456 HydrophobicContact CG-CG 3.86Å; L404-E460 HydrophobicContact CD1-CB 4.22Å; L404-E460 HydrophobicContact CD1-CG 3.86Å; L404-E460 VanDerWaalsContact CD1-O 3.29Å; L404-E460 WeakPolarHBondContact CD1-O 3.16Å; L404-F462 HydrophobicContact CB-CB 3.91Å; L404-A499 HydrophobicContact CB-CB 4.01Å; L404-A499 HydrophobicContact CD1-CB 4.34Å; L404-A499 HydrophobicContact CD2-CB 4.25Å; L404-A499 HydrophobicContact CG-CB 4.43Å; L404-Q501 HydrophobicContact CD1-CB 4.49Å
405E96.1Very high92.2Very high2 Ų216.4 Ų16.41%0.0098%0.08CC..Hα-helixtrans-71-30175.1177.6161.7-177.900111.9R401 S402 L403 A408 F462 K655 R669R401-E405 HydrophobicContact CB-CG 4.46Å; S402-E405 PolarHBondContact O-N 2.85Å; S402-E405 VanDerWaalsContact O-N 3.09Å; L403-E405 VanDerWaalsContact C-N 3.33Å; L403-E405 PolarHBondContact O-N 2.79Å; E405-A408 WeakPolarHBondContact O-CB 3.42Å; E405-A408 PolarHBondContact O-N 2.83Å; E405-F462 HydrophobicContact CB-CD1 4.29Å; E405-F462 HydrophobicContact CB-CD2 3.91Å; E405-F462 HydrophobicContact CB-CE1 4.14Å; E405-F462 HydrophobicContact CB-CE2 3.75Å; E405-F462 HydrophobicContact CB-CG 4.18Å; E405-F462 HydrophobicContact CB-CZ 3.87Å; E405-F462 VanDerWaalsContact CD-CE2 3.49Å; E405-F462 HydrophobicContact CG-CD2 4.37Å; E405-F462 HydrophobicContact CG-CE1 4.02Å; E405-F462 HydrophobicContact CG-CE2 3.68Å; E405-F462 HydrophobicContact CG-CZ 3.49Å; E405-F462 VanDerWaalsContact CG-CZ 3.49Å; E405-F462 WeakPolarHBondContact OE2-CE2 3.15Å; E405-K655 VanDerWaalsContact CG-NZ 3.28Å; E405-K655 PolarHBondContact O-NZ 3.27Å; E405-K655 WeakPolarHBondContact OE1-CE 3.37Å; E405-K655 IonicContact OE1-NZ 2.77Å; E405-R669 IonicContact OE1-CZ 3.72Å; E405-R669 IonicContact OE1-NE 2.68Å; E405-R669 PolarHBondContact OE1-NE 3.09Å; E405-R669 IonicContact OE1-NH2 2.68Å; E405-R669 PolarHBondContact OE1-NH2 3Å; E405-R669 WeakPolarHBondContact OE2-CG 3.48Å; E405-R669 IonicContact OE2-CZ 2.87Å; E405-R669 IonicContact OE2-NE 3.97Å; E405-R669 PolarHBondContact OE2-NE 3.43Å; E405-R669 IonicContact OE2-NH2 3.97Å
406M93.7Very high92.8Very high27 Ų2716.7 Ų16.713%0.1338%0.081CC..Hα-helixtrans-67.7-38.2174-166.8-16174.400112S402 L403 L404 A408 D409 P453S402-M406 PolarHBondContact O-N 3.43Å; L403-M406 HydrophobicContact CD1-CE 3.57Å; L403-M406 HydrophobicContact CD1-SD 4.28Å; L403-M406 WeakPolarHBondContact O-CB 3.34Å; L403-M406 PolarHBondContact O-N 2.81Å; L403-M406 VanDerWaalsContact O-N 3.15Å; L404-M406 VanDerWaalsContact C-N 3.34Å; M406-A408 PolarHBondContact O-N 3.25Å; M406-D409 VanDerWaalsContact O-CB 3.32Å; M406-D409 WeakPolarHBondContact O-CB 3.3Å; M406-D409 PolarHBondContact O-N 2.82Å; M406-P453 HydrophobicContact SD-CG 3.93Å
407Y95.8Very high93.8Very high6 Ų615.5 Ų15.52%0.0248%0.076CC..Hα-helixtrans-64.6-24.5176.1-69.2-49.1000113.4L403 L404 D409 F410 F511 I526L403-Y407 HydrophobicContact CD1-CE2 4.19Å; L403-Y407 HydrophobicContact CD2-CE2 3.92Å; L403-Y407 HydrophobicContact CG-CD2 4.26Å; L403-Y407 HydrophobicContact CG-CE2 3.6Å; L403-Y407 VanDerWaalsContact O-CD2 3.3Å; L403-Y407 WeakPolarHBondContact O-CD2 3.24Å; L403-Y407 PolarHBondContact O-N 2.91Å; L404-Y407 PolarHBondContact O-N 3.48Å; Y407-D409 PolarHBondContact O-N 2.87Å; Y407-F410 AromaticContact CD1-CE2 3.73Å; Y407-F410 HydrophobicContact CD1-CE2 3.73Å; Y407-F410 AromaticContact CD1-CZ 3.87Å; Y407-F410 HydrophobicContact CD1-CZ 3.87Å; Y407-F410 HydrophobicContact CE1-CE2 4.41Å; Y407-F410 HydrophobicContact CE1-CZ 4.33Å; Y407-F410 WeakPolarHBondContact O-CB 3.38Å; Y407-F410 WeakPolarHBondContact O-CG 3.21Å; Y407-F410 PolarHBondContact O-N 2.94Å; Y407-F511 HydrophobicContact CD1-CE1 4.25Å; Y407-F511 HydrophobicContact CD1-CZ 4.24Å; Y407-F511 HydrophobicContact CD2-CD1 4.21Å; Y407-F511 HydrophobicContact CD2-CE1 4.07Å; Y407-F511 HydrophobicContact CE2-CE1 4.49Å; Y407-F511 HydrophobicContact CG-CD1 4.32Å; Y407-F511 AromaticContact CG-CE1 3.94Å; Y407-F511 HydrophobicContact CG-CE1 3.94Å; Y407-F511 HydrophobicContact CG-CZ 4.18Å; Y407-I526 HydrophobicContact CD1-CD1 4.06Å; Y407-I526 HydrophobicContact CE1-CB 4.5Å; Y407-I526 HydrophobicContact CE1-CD1 3.52Å; Y407-I526 WeakPolarHBondContact OH-CG2 3.41Å
408A96.4Very high94.5Very high0 Ų013.8 Ų13.80%07%0.067CC..G310 helixtrans-62.2-24.6171.700000112.8E405 M406 F410 F411 F462 W466 F497 K655E405-A408 WeakPolarHBondContact O-CB 3.42Å; E405-A408 PolarHBondContact O-N 2.83Å; M406-A408 PolarHBondContact O-N 3.25Å; A408-F410 PolarHBondContact O-N 3.02Å; A408-F411 PolarHBondContact O-N 2.88Å; A408-F462 HydrophobicContact CB-CD1 4.36Å; A408-F462 HydrophobicContact CB-CE1 3.82Å; A408-W466 HydrophobicContact CB-CH2 4.02Å; A408-W466 HydrophobicContact CB-CZ2 4.42Å; A408-W466 VanDerWaalsContact O-CH2 3.31Å; A408-W466 WeakPolarHBondContact O-CH2 3.37Å; A408-W466 WeakPolarHBondContact O-CZ2 3.46Å; A408-F497 HydrophobicContact CB-CD1 3.91Å; A408-F497 HydrophobicContact CB-CD2 4.44Å; A408-F497 HydrophobicContact CB-CE1 3.76Å; A408-F497 HydrophobicContact CB-CE2 4.28Å; A408-F497 HydrophobicContact CB-CG 4.28Å; A408-F497 HydrophobicContact CB-CZ 3.95Å; A408-K655 HydrophobicContact CB-CD 4.06Å
409D94.1Very high95Very high19 Ų1914.4 Ų14.410%0.1027%0.073CC..G310 helixtrans-67.5-16.1179.8-63.5-5.7000113.1R401 M406 Y407 F411 A412 G444 K655R401-D409 IonicContact CZ-OD2 3.41Å; R401-D409 VanDerWaalsContact NH1-CG 3.28Å; R401-D409 IonicContact NH1-OD1 3.21Å; R401-D409 PolarHBondContact NH1-OD1 3.42Å; R401-D409 VanDerWaalsContact NH1-OD1 3.11Å; R401-D409 IonicContact NH1-OD2 2.59Å; R401-D409 PolarHBondContact NH1-OD2 3.18Å; R401-D409 IonicContact NH2-OD2 2.66Å; R401-D409 PolarHBondContact NH2-OD2 3.47Å; M406-D409 VanDerWaalsContact O-CB 3.32Å; M406-D409 WeakPolarHBondContact O-CB 3.3Å; M406-D409 PolarHBondContact O-N 2.82Å; Y407-D409 PolarHBondContact O-N 2.87Å; D409-F411 PolarHBondContact O-N 3.21Å; D409-F411 VanDerWaalsContact O-N 3.12Å; D409-A412 VanDerWaalsContact O-CB 3.23Å; D409-A412 WeakPolarHBondContact O-CB 3.48Å; D409-A412 PolarHBondContact O-N 2.97Å; D409-G444 WeakPolarHBondContact OD2-CA 3.15Å; D409-G444 PolarHBondContact OD2-N 3.47Å; D409-K655 IonicContact OD1-NZ 3.86Å; D409-K655 PolarHBondContact OD1-NZ 2.67Å
410F96.1Very high95.6Very high17 Ų1713.3 Ų13.38%0.0757%0.068CC..G310 helixtrans-60.1-18.7169.4-63.8-17.4000112.6Y407 A408 W436 A440 F441 F511 I526 F560Y407-F410 AromaticContact CD1-CE2 3.73Å; Y407-F410 HydrophobicContact CD1-CE2 3.73Å; Y407-F410 AromaticContact CD1-CZ 3.87Å; Y407-F410 HydrophobicContact CD1-CZ 3.87Å; Y407-F410 HydrophobicContact CE1-CE2 4.41Å; Y407-F410 HydrophobicContact CE1-CZ 4.33Å; Y407-F410 WeakPolarHBondContact O-CB 3.38Å; Y407-F410 WeakPolarHBondContact O-CG 3.21Å; Y407-F410 PolarHBondContact O-N 2.94Å; A408-F410 PolarHBondContact O-N 3.02Å; F410-W436 PolarHBondContact O-NE1 2.9Å; F410-W436 VanDerWaalsContact O-NE1 3.12Å; F410-A440 HydrophobicContact CB-CB 4.02Å; F410-A440 HydrophobicContact CD1-CB 4.11Å; F410-A440 HydrophobicContact CG-CB 4.31Å; F410-F441 HydrophobicContact CE1-CD1 4.27Å; F410-F441 HydrophobicContact CE1-CE1 4.02Å; F410-F441 HydrophobicContact CZ-CE1 4.38Å; F410-F511 HydrophobicContact CD2-CE2 4.01Å; F410-F511 HydrophobicContact CD2-CZ 4.15Å; F410-F511 HydrophobicContact CE2-CE2 4.31Å; F410-F511 AromaticContact CE2-CZ 3.97Å; F410-F511 HydrophobicContact CE2-CZ 3.97Å; F410-I526 HydrophobicContact CE2-CD1 4.2Å; F410-F560 HydrophobicContact CD2-CE1 4.46Å; F410-F560 HydrophobicContact CE2-CD1 4.16Å; F410-F560 AromaticContact CE2-CE1 3.89Å; F410-F560 HydrophobicContact CE2-CE1 3.89Å; F410-F560 HydrophobicContact CZ-CD1 4.45Å
411F97Very high95.9Very high0 Ų011.7 Ų11.70%07%0.065CC..G310 helixtrans-10620.3176.1-63.1-89000113A408 D409 H413 P414 F417 W436 W466 V495 F497 A513 F522A408-F411 PolarHBondContact O-N 2.88Å; D409-F411 PolarHBondContact O-N 3.21Å; D409-F411 VanDerWaalsContact O-N 3.12Å; F411-H413 PolarHBondContact O-N 3.36Å; F411-H413 VanDerWaalsContact O-N 3.14Å; F411-P414 WeakPolarHBondContact O-CD 3.08Å; F411-F417 HydrophobicContact CD1-CB 4.3Å; F411-F417 HydrophobicContact CD1-CD1 4.08Å; F411-F417 HydrophobicContact CD1-CD2 4.42Å; F411-F417 HydrophobicContact CD1-CG 4.02Å; F411-F417 HydrophobicContact CE1-CB 4.48Å; F411-F417 AromaticContact CE1-CD1 3.91Å; F411-F417 HydrophobicContact CE1-CD1 3.91Å; F411-F417 AromaticContact CE1-CD2 3.77Å; F411-F417 HydrophobicContact CE1-CD2 3.77Å; F411-F417 HydrophobicContact CE1-CE1 4Å; F411-F417 AromaticContact CE1-CE2 3.88Å; F411-F417 HydrophobicContact CE1-CE2 3.88Å; F411-F417 AromaticContact CE1-CG 3.79Å; F411-F417 HydrophobicContact CE1-CG 3.79Å; F411-F417 AromaticContact CE1-CZ 3.99Å; F411-F417 HydrophobicContact CE1-CZ 3.99Å; F411-W436 HydrophobicContact CD1-CZ2 4.14Å; F411-W436 HydrophobicContact CE1-CH2 4.34Å; F411-W436 AromaticContact CE1-CZ2 3.6Å; F411-W436 HydrophobicContact CE1-CZ2 3.6Å; F411-W436 HydrophobicContact CE2-CZ2 4.33Å; F411-W436 HydrophobicContact CZ-CH2 4.17Å; F411-W436 AromaticContact CZ-CZ2 3.69Å; F411-W436 HydrophobicContact CZ-CZ2 3.69Å; F411-W466 HydrophobicContact CB-CE3 4.29Å; F411-W466 HydrophobicContact CB-CH2 3.51Å; F411-W466 HydrophobicContact CB-CZ2 3.76Å; F411-W466 HydrophobicContact CB-CZ3 3.79Å; F411-W466 HydrophobicContact CG-CH2 4.41Å; F411-W466 PolarHBondContact O-NE1 3.46Å; F411-V495 HydrophobicContact CD1-CG1 4.26Å; F411-F497 AromaticContact CD2-CD2 3.73Å; F411-F497 HydrophobicContact CD2-CD2 3.73Å; F411-F497 HydrophobicContact CD2-CE2 4.1Å; F411-F497 AromaticContact CE2-CD2 3.88Å; F411-F497 HydrophobicContact CE2-CD2 3.88Å; F411-F497 HydrophobicContact CE2-CE2 4.09Å; F411-A513 HydrophobicContact CD1-CB 4.32Å; F411-A513 HydrophobicContact CD2-CB 4.43Å; F411-A513 HydrophobicContact CE1-CB 3.78Å; F411-A513 HydrophobicContact CE2-CB 3.91Å; F411-A513 HydrophobicContact CZ-CB 3.56Å; F411-F522 HydrophobicContact CE1-CB 4.49Å; F411-F522 HydrophobicContact CE2-CD1 4.13Å; F411-F522 HydrophobicContact CE2-CE1 4.38Å; F411-F522 HydrophobicContact CZ-CB 4.03Å; F411-F522 AromaticContact CZ-CD1 3.61Å; F411-F522 HydrophobicContact CZ-CD1 3.61Å; F411-F522 HydrophobicContact CZ-CE1 4.17Å; F411-F522 AromaticContact CZ-CG 3.83Å; F411-F522 HydrophobicContact CZ-CG 3.83Å
412A93.8Very high96.1Very high8 Ų815 Ų157%0.0668%0.084CC..SBendtrans-60.9-18.117200000113.9D409 P414 A443 I652 I653D409-A412 VanDerWaalsContact O-CB 3.23Å; D409-A412 WeakPolarHBondContact O-CB 3.48Å; D409-A412 PolarHBondContact O-N 2.97Å; A412-P414 VanDerWaalsContact C-CD 3.43Å; A412-P414 WeakPolarHBondContact O-CD 3.34Å; A412-A443 HydrophobicContact CB-CB 3.87Å; A412-I652 HydrophobicContact CB-CB 4.35Å; A412-I652 HydrophobicContact CB-CG2 4.21Å; A412-I653 PolarHBondContact O-N 3.18Å
413H96Very high96.2Very high6 Ų617.5 Ų17.53%0.02810%0.096CC..SBendtrans-118.771.3167.9-63.3-67.9000110.2F411 D415 L416 F417 H442 M650 A651 I652F411-H413 PolarHBondContact O-N 3.36Å; F411-H413 VanDerWaalsContact O-N 3.14Å; H413-D415 VanDerWaalsContact CA-OD1 3.26Å; H413-D415 WeakPolarHBondContact CA-OD1 3.33Å; H413-D415 IonicContact CE1-OD1 3.05Å; H413-D415 PolarHBondContact CE1-OD1 2.63Å; H413-D415 PolarHBondContact O-N 2.89Å; H413-L416 HydrophobicContact CB-CB 4.15Å; H413-L416 HydrophobicContact CB-CD1 4.01Å; H413-L416 HydrophobicContact CB-CG 4.14Å; H413-L416 PolarHBondContact O-N 2.91Å; H413-F417 PolarHBondContact O-N 2.88Å; H413-H442 AromaticContact NE2-NE2 3.6Å; H413-M650 HydrophobicContact CB-CE 4.48Å; H413-M650 VanDerWaalsContact NE2-C 3.32Å; H413-M650 WeakPolarHBondContact NE2-CB 3.27Å; H413-M650 PolarHBondContact NE2-O 3.21Å; H413-M650 VanDerWaalsContact NE2-O 3.07Å; H413-A651 PolarHBondContact CE1-O 3.47Å; H413-A651 PolarHBondContact NE2-O 2.89Å; H413-I652 VanDerWaalsContact NE2-CA 3.3Å; H413-I652 WeakPolarHBondContact NE2-CA 3.49Å; H413-I652 PolarHBondContact NE2-N 2.92Å; H413-I652 VanDerWaalsContact NE2-N 3.14Å
414P96.4Very high96.2Very high0 Ų020.7 Ų20.70%012%0.118CC..Hα-helixtrans-73.5-19.6-175.333.1-33.8000111.5F411 A412 F417 V418 W466 L468 V495 I653F411-P414 WeakPolarHBondContact O-CD 3.08Å; A412-P414 VanDerWaalsContact C-CD 3.43Å; A412-P414 WeakPolarHBondContact O-CD 3.34Å; P414-F417 PolarHBondContact O-N 2.66Å; P414-V418 PolarHBondContact O-N 3.5Å; P414-W466 HydrophobicContact CB-CB 4.1Å; P414-W466 HydrophobicContact CB-CG 4.21Å; P414-W466 HydrophobicContact CG-CB 3.7Å; P414-W466 HydrophobicContact CG-CG 3.82Å; P414-L468 HydrophobicContact CB-CD2 3.88Å; P414-L468 HydrophobicContact CG-CD2 3.81Å; P414-V495 HydrophobicContact CB-CB 3.95Å; P414-V495 HydrophobicContact CB-CG1 4.35Å; P414-V495 HydrophobicContact CB-CG2 3.74Å; P414-I653 HydrophobicContact CG-CB 3.94Å; P414-I653 HydrophobicContact CG-CD1 3.86Å; P414-I653 HydrophobicContact CG-CG1 4.27Å; P414-I653 HydrophobicContact CG-CG2 4.33Å
415D95.5Very high96.3Very high57 Ų5726 Ų2631%0.30514%0.142SC..Hα-helixtrans-62.8-44.8167.463.8-53.9000111.9H413 F417 S419H413-D415 VanDerWaalsContact CA-OD1 3.26Å; H413-D415 WeakPolarHBondContact CA-OD1 3.33Å; H413-D415 IonicContact CE1-OD1 3.05Å; H413-D415 PolarHBondContact CE1-OD1 2.63Å; H413-D415 PolarHBondContact O-N 2.89Å; D415-F417 VanDerWaalsContact C-N 3.33Å; D415-S419 WeakPolarHBondContact O-CB 3.44Å; D415-S419 PolarHBondContact O-N 3.08Å; D415-S419 VanDerWaalsContact O-N 3.09Å; D415-S419 PolarHBondContact O-OG 3.25Å
416L96.9Very high96.3Very high15 Ų1527.5 Ų27.58%0.07915%0.153CC..Hα-helixtrans-68.3-33.6175.8-69.9-176.4000111.9H413 S419 Q432 K435 W436 S439 M650H413-L416 HydrophobicContact CB-CB 4.15Å; H413-L416 HydrophobicContact CB-CD1 4.01Å; H413-L416 HydrophobicContact CB-CG 4.14Å; H413-L416 PolarHBondContact O-N 2.91Å; L416-S419 WeakPolarHBondContact CA-OG 3.45Å; L416-S419 PolarHBondContact O-OG 3.32Å; L416-Q432 PolarHBondContact O-NE2 3.38Å; L416-K435 HydrophobicContact CD2-CD 4.34Å; L416-W436 HydrophobicContact CB-CB 4.08Å; L416-S439 WeakPolarHBondContact CD1-OG 3.43Å; L416-M650 HydrophobicContact CD1-CE 3.52Å
417F98.2Very high96.5Very high0 Ų032.1 Ų32.10%017%0.169CC..Hα-helixtrans-62.9-57.3172.9174.7-116.6000111.4F411 H413 P414 D415 S419 I420 W436 V495 I520 F522 V547F411-F417 HydrophobicContact CD1-CB 4.3Å; F411-F417 HydrophobicContact CD1-CD1 4.08Å; F411-F417 HydrophobicContact CD1-CD2 4.42Å; F411-F417 HydrophobicContact CD1-CG 4.02Å; F411-F417 HydrophobicContact CE1-CB 4.48Å; F411-F417 AromaticContact CE1-CD1 3.91Å; F411-F417 HydrophobicContact CE1-CD1 3.91Å; F411-F417 AromaticContact CE1-CD2 3.77Å; F411-F417 HydrophobicContact CE1-CD2 3.77Å; F411-F417 HydrophobicContact CE1-CE1 4Å; F411-F417 AromaticContact CE1-CE2 3.88Å; F411-F417 HydrophobicContact CE1-CE2 3.88Å; F411-F417 AromaticContact CE1-CG 3.79Å; F411-F417 HydrophobicContact CE1-CG 3.79Å; F411-F417 AromaticContact CE1-CZ 3.99Å; F411-F417 HydrophobicContact CE1-CZ 3.99Å; H413-F417 PolarHBondContact O-N 2.88Å; P414-F417 PolarHBondContact O-N 2.66Å; D415-F417 VanDerWaalsContact C-N 3.33Å; F417-S419 VanDerWaalsContact C-N 3.3Å; F417-S419 PolarHBondContact O-N 3.44Å; F417-I420 HydrophobicContact CD2-CD1 4.2Å; F417-I420 VanDerWaalsContact O-CB 3.32Å; F417-I420 WeakPolarHBondContact O-CB 3.35Å; F417-I420 VanDerWaalsContact O-CD1 3.29Å; F417-I420 WeakPolarHBondContact O-CD1 3.09Å; F417-I420 WeakPolarHBondContact O-CG1 3.39Å; F417-I420 PolarHBondContact O-N 3.31Å; F417-W436 HydrophobicContact CB-CD2 4.36Å; F417-W436 HydrophobicContact CB-CG 4.14Å; F417-W436 HydrophobicContact CD2-CD2 4.07Å; F417-W436 AromaticContact CD2-CE2 3.94Å; F417-W436 HydrophobicContact CD2-CE3 4.35Å; F417-W436 HydrophobicContact CD2-CH2 4.36Å; F417-W436 HydrophobicContact CD2-CZ2 4.09Å; F417-W436 HydrophobicContact CD2-CZ3 4.49Å; F417-V495 HydrophobicContact CD1-CG1 4.31Å; F417-V495 HydrophobicContact CD1-CG2 4.24Å; F417-I520 HydrophobicContact CD1-CG2 4.48Å; F417-I520 HydrophobicContact CD2-CD1 4.22Å; F417-I520 HydrophobicContact CE1-CD1 4.37Å; F417-I520 HydrophobicContact CE1-CG1 4.35Å; F417-I520 HydrophobicContact CE1-CG2 3.91Å; F417-I520 HydrophobicContact CE2-CD1 3.88Å; F417-I520 HydrophobicContact CE2-CG1 4.17Å; F417-I520 HydrophobicContact CZ-CD1 3.96Å; F417-I520 HydrophobicContact CZ-CG1 3.84Å; F417-I520 HydrophobicContact CZ-CG2 4.25Å; F417-I520 WeakPolarHBondContact O-CD1 3.3Å; F417-F522 HydrophobicContact CE2-CB 3.98Å; F417-F522 HydrophobicContact CZ-CB 3.87Å; F417-V547 HydrophobicContact CE2-CG1 4.1Å; F417-V547 HydrophobicContact CE2-CG2 4.44Å
418V97.3Very high96.6Very high7 Ų735.8 Ų35.84%0.04219%0.186CC..Hα-helixtrans-69.7-27.8-174.4-590000113.8P414 I420 A421 L468 V495 C515 K518 I520P414-V418 PolarHBondContact O-N 3.5Å; V418-I420 PolarHBondContact O-N 3.13Å; V418-I420 VanDerWaalsContact O-N 3.17Å; V418-A421 PolarHBondContact O-N 2.97Å; V418-L468 HydrophobicContact CB-CD1 4.34Å; V418-L468 HydrophobicContact CG1-CD1 3.94Å; V418-L468 HydrophobicContact CG2-CD1 3.56Å; V418-V495 HydrophobicContact CG1-CG2 3.57Å; V418-C515 HydrophobicContact CG1-CB 3.59Å; V418-K518 HydrophobicContact CB-CB 3.98Å; V418-K518 HydrophobicContact CB-CD 4.13Å; V418-K518 HydrophobicContact CB-CG 3.79Å; V418-K518 HydrophobicContact CG1-CB 4.27Å; V418-K518 HydrophobicContact CG1-CG 4.28Å; V418-K518 HydrophobicContact CG2-CD 4.28Å; V418-K518 HydrophobicContact CG2-CG 4.19Å; V418-I520 HydrophobicContact CB-CG2 4.42Å; V418-I520 HydrophobicContact CG1-CG2 4.07Å
419S96.9Very high96.7Very high26 Ų2636.1 Ų36.118%0.18219%0.187CC..THydrogen-bonded Turntrans-69.4-7.5177.751.60000113.9D415 L416 F417 A421 D422 Q423 Q432D415-S419 WeakPolarHBondContact O-CB 3.44Å; D415-S419 PolarHBondContact O-N 3.08Å; D415-S419 VanDerWaalsContact O-N 3.09Å; D415-S419 PolarHBondContact O-OG 3.25Å; L416-S419 WeakPolarHBondContact CA-OG 3.45Å; L416-S419 PolarHBondContact O-OG 3.32Å; F417-S419 VanDerWaalsContact C-N 3.3Å; F417-S419 PolarHBondContact O-N 3.44Å; S419-A421 VanDerWaalsContact C-N 3.29Å; S419-D422 WeakPolarHBondContact CA-OD2 3.28Å; S419-D422 PolarHBondContact O-N 2.99Å; S419-Q423 WeakPolarHBondContact O-CG 3.28Å; S419-Q423 PolarHBondContact O-NE2 3.24Å; S419-Q432 PolarHBondContact OG-NE2 3.39Å
420I98.3Very high96.9Very high0 Ų035.2 Ų35.20%018%0.182CC..THydrogen-bonded Turntrans-58.7-42.7164.4-59.4165.3000110.3F417 V418 D422 R429 Q432 V433 W436 I520 V547F417-I420 HydrophobicContact CD2-CD1 4.2Å; F417-I420 VanDerWaalsContact O-CB 3.32Å; F417-I420 WeakPolarHBondContact O-CB 3.35Å; F417-I420 VanDerWaalsContact O-CD1 3.29Å; F417-I420 WeakPolarHBondContact O-CD1 3.09Å; F417-I420 WeakPolarHBondContact O-CG1 3.39Å; F417-I420 PolarHBondContact O-N 3.31Å; V418-I420 PolarHBondContact O-N 3.13Å; V418-I420 VanDerWaalsContact O-N 3.17Å; I420-D422 VanDerWaalsContact C-N 3.25Å; I420-D422 PolarHBondContact O-N 2.75Å; I420-R429 WeakPolarHBondContact O-CG 3.34Å; I420-Q432 HydrophobicContact CB-CG 4.32Å; I420-Q432 HydrophobicContact CG1-CB 4.35Å; I420-Q432 HydrophobicContact CG1-CG 3.8Å; I420-V433 HydrophobicContact CD1-CG2 4.02Å; I420-V433 HydrophobicContact CG1-CG2 4.22Å; I420-V433 HydrophobicContact CG2-CG2 3.52Å; I420-W436 HydrophobicContact CD1-CB 4.19Å; I420-W436 HydrophobicContact CD1-CD2 4.39Å; I420-W436 HydrophobicContact CD1-CE3 4.09Å; I420-W436 HydrophobicContact CD1-CG 4.44Å; I420-I520 HydrophobicContact CB-CD1 4.01Å; I420-I520 HydrophobicContact CD1-CD1 4.43Å; I420-V547 HydrophobicContact CD1-CG1 4.16Å
421A96.9Very high96.9Very high18 Ų1836.2 Ų36.215%0.14919%0.19CC..THydrogen-bonded Turntrans-74.2-14.3-178.900000113.6V418 S419 K518 I520V418-A421 PolarHBondContact O-N 2.97Å; S419-A421 VanDerWaalsContact C-N 3.29Å; A421-K518 WeakPolarHBondContact CB-O 3.14Å; A421-I520 HydrophobicContact CB-CB 4.29Å; A421-I520 HydrophobicContact CB-CD1 4.41Å
422D95.4Very high97Very high83 Ų8337 Ų3744%0.44419%0.193SC..THydrogen-bonded Turntrans-85.9-14.2179.4-64.7-50.7000113.8S419 I420 K518S419-D422 WeakPolarHBondContact CA-OD2 3.28Å; S419-D422 PolarHBondContact O-N 2.99Å; I420-D422 VanDerWaalsContact C-N 3.25Å; I420-D422 PolarHBondContact O-N 2.75Å; D422-K518 IonicContact OD1-NZ 3.72Å; D422-K518 PolarHBondContact OD1-NZ 2.85Å; D422-K518 IonicContact OD2-NZ 3.88Å; D422-K518 PolarHBondContact OD2-NZ 3.45Å
423Q97.5Very high97.2Very high54 Ų5436.6 Ų36.625%0.25219%0.19SC..  trans-80.7126.1-176.9-43.7-57-63.300110.7S419 E428 R429 Q432S419-Q423 WeakPolarHBondContact O-CG 3.28Å; S419-Q423 PolarHBondContact O-NE2 3.24Å; Q423-E428 HydrophobicContact CB-CB 3.8Å; Q423-E428 HydrophobicContact CG-CB 4.34Å; Q423-R429 HydrophobicContact CB-CG 3.75Å; Q423-R429 HydrophobicContact CG-CG 4.5Å; Q423-R429 VanDerWaalsContact O-CG 3.26Å; Q423-R429 WeakPolarHBondContact O-CG 3.25Å; Q423-R429 PolarHBondContact O-NH1 3.49Å; Q423-Q432 HydrophobicContact CG-CB 3.94Å; Q423-Q432 HydrophobicContact CG-CG 4.27Å
424P95.5Very high97.4Very high90 Ų9036.3 Ų36.358%0.58419%0.189SC*.SBendtrans-72.6-36.1-173.528.4-34.6000113.1R429P424-R429 PolarHBondContact O-NH1 2.75Å
425E97.8Very high97.4Very high110 Ų11039.3 Ų39.351%0.51420%0.202SC..SBendtrans-93.9138.6-176-69.8-62.2139.100112.5R427 E428 R429E425-R427 PolarHBondContact O-N 2.68Å; E425-R427 VanDerWaalsContact O-N 3.11Å; E425-E428 HydrophobicContact CB-CB 4.3Å; E425-E428 HydrophobicContact CB-CG 4.04Å; E425-E428 PolarHBondContact O-N 2.87Å; E425-R429 PolarHBondContact O-N 3.18Å
426P97.8Very high97.6Very high35 Ų3536.9 Ų36.923%0.22719%0.188CC..Hα-helixtrans-53.8-34.6176.7-25.131.9000113.7M430 T587 Y589P426-M430 PolarHBondContact O-N 3.35Å; P426-T587 HydrophobicContact CB-CG2 3.95Å; P426-Y589 HydrophobicContact CB-CD2 4.37Å; P426-Y589 HydrophobicContact CB-CE2 4.06Å
427R96.9Very high97.6Very high124 Ų12436.3 Ų36.347%0.46819%0.185SC..Hα-helixtrans-62.2-42.6175.5-175.4179.7177.4-121.32112.2E425 V431 Y589 F621E425-R427 PolarHBondContact O-N 2.68Å; E425-R427 VanDerWaalsContact O-N 3.11Å; R427-V431 WeakPolarHBondContact O-CG2 3.4Å; R427-V431 PolarHBondContact O-N 3.41Å; R427-Y589 HydrophobicContact CB-CE1 3.96Å; R427-Y589 HydrophobicContact CG-CE1 4.06Å; R427-F621 HydrophobicContact CG-CD2 4.41Å; R427-F621 HydrophobicContact CG-CE1 4.43Å; R427-F621 HydrophobicContact CG-CE2 3.67Å; R427-F621 HydrophobicContact CG-CZ 3.67Å
428E97.4Very high97.6Very high82 Ų8236.4 Ų36.438%0.38319%0.186SC..Hα-helixtrans-76.4-38.9-177.2-65.1175.6158.900110.2Q423 E425 M430 V431 Q432Q423-E428 HydrophobicContact CB-CB 3.8Å; Q423-E428 HydrophobicContact CG-CB 4.34Å; E425-E428 HydrophobicContact CB-CB 4.3Å; E425-E428 HydrophobicContact CB-CG 4.04Å; E425-E428 PolarHBondContact O-N 2.87Å; E428-M430 PolarHBondContact O-N 2.86Å; E428-V431 PolarHBondContact O-N 2.92Å; E428-Q432 WeakPolarHBondContact O-CB 3.18Å; E428-Q432 PolarHBondContact O-N 2.74Å
429R98.2Very high97.5Very high7 Ų736 Ų363%0.02618%0.184CC..Hα-helixtrans-56.1-49169-68.4-164.5-74.3-77.63.9112.2I420 Q423 P424 E425 V431 Q432 V433 H552 E554 Y556I420-R429 WeakPolarHBondContact O-CG 3.34Å; Q423-R429 HydrophobicContact CB-CG 3.75Å; Q423-R429 HydrophobicContact CG-CG 4.5Å; Q423-R429 VanDerWaalsContact O-CG 3.26Å; Q423-R429 WeakPolarHBondContact O-CG 3.25Å; Q423-R429 PolarHBondContact O-NH1 3.49Å; P424-R429 PolarHBondContact O-NH1 2.75Å; E425-R429 PolarHBondContact O-N 3.18Å; R429-V431 VanDerWaalsContact C-N 3.34Å; R429-V431 PolarHBondContact O-N 2.66Å; R429-Q432 CarbonylContact O-C 3.22Å; R429-Q432 PolarHBondContact O-N 2.89Å; R429-Q432 VanDerWaalsContact O-N 3.09Å; R429-V433 WeakPolarHBondContact O-CG2 3.5Å; R429-V433 PolarHBondContact O-N 3.41Å; R429-H552 WeakPolarHBondContact CD-CD2 3.3Å; R429-H552 VanDerWaalsContact CZ-CD2 3.47Å; R429-H552 PolarHBondContact NE-CD2 2.85Å; R429-H552 VanDerWaalsContact NE-CD2 3.33Å; R429-H552 PolarHBondContact NH1-CE1 3.1Å; R429-H552 PolarHBondContact NH1-NE2 2.91Å; R429-E554 IonicContact CZ-OE1 2.73Å; R429-E554 IonicContact CZ-OE2 2.7Å; R429-E554 IonicContact NE-OE1 3.45Å; R429-E554 IonicContact NE-OE2 3.02Å; R429-E554 PolarHBondContact NE-OE2 3.26Å; R429-E554 VanDerWaalsContact NH2-CD 3.29Å; R429-E554 IonicContact NH2-OE1 3.28Å; R429-E554 PolarHBondContact NH2-OE1 2.66Å; R429-E554 IonicContact NH2-OE2 2.61Å; R429-E554 PolarHBondContact NH2-OE2 3.29Å; R429-E554 VanDerWaalsContact NH2-OE2 3.12Å; R429-Y556 WeakPolarHBondContact CB-OH 3.43Å
430M98.3Very high97.4Very high0 Ų035 Ų350%018%0.176CC..Hα-helixtrans-60.1-42177.5178.557.283.400112.3P426 E428 Q432 V433 V434 Y556 I582 C584 Y589 I612P426-M430 PolarHBondContact O-N 3.35Å; E428-M430 PolarHBondContact O-N 2.86Å; M430-Q432 VanDerWaalsContact C-N 3.29Å; M430-Q432 PolarHBondContact O-N 2.99Å; M430-V433 PolarHBondContact O-N 3.47Å; M430-V434 WeakPolarHBondContact O-CG2 3.2Å; M430-V434 PolarHBondContact O-N 3.05Å; M430-V434 HydrophobicContact SD-CG2 4.26Å; M430-Y556 HydrophobicContact CB-CE1 4.33Å; M430-Y556 HydrophobicContact CE-CD1 3.7Å; M430-Y556 HydrophobicContact CE-CE1 3.84Å; M430-Y556 HydrophobicContact SD-CD1 4.17Å; M430-Y556 HydrophobicContact SD-CE1 4.28Å; M430-I582 HydrophobicContact CE-CG2 4.36Å; M430-I582 HydrophobicContact SD-CG2 4.11Å; M430-C584 HydrophobicContact CE-CB 4.36Å; M430-Y589 HydrophobicContact CB-CD1 4.43Å; M430-Y589 HydrophobicContact CB-CG 4.49Å; M430-Y589 VanDerWaalsContact CE-O 3.3Å; M430-Y589 WeakPolarHBondContact CE-O 3.38Å; M430-I612 HydrophobicContact CG-CG2 3.57Å
431V97.9Very high97.1Very high38 Ų3835.2 Ų35.223%0.2318%0.177CC..Hα-helixtrans-60.9-40.1174.5172.80000111.2R427 E428 R429 V434 K435 I612 F621 F644R427-V431 WeakPolarHBondContact O-CG2 3.4Å; R427-V431 PolarHBondContact O-N 3.41Å; E428-V431 PolarHBondContact O-N 2.92Å; R429-V431 VanDerWaalsContact C-N 3.34Å; R429-V431 PolarHBondContact O-N 2.66Å; V431-V434 PolarHBondContact O-N 2.73Å; V431-K435 WeakPolarHBondContact O-CB 3.33Å; V431-K435 PolarHBondContact O-N 3.12Å; V431-I612 HydrophobicContact CG2-CD1 4.02Å; V431-F621 HydrophobicContact CG2-CE2 3.87Å; V431-F621 HydrophobicContact CG2-CZ 4.25Å; V431-F644 HydrophobicContact CG1-CE2 3.83Å; V431-F644 HydrophobicContact CG1-CZ 4.27Å
432Q98.4Very high96.7Very high17 Ų1735.1 Ų35.18%0.07917%0.174CC..Hα-helixtrans-73-33.9178.8-172.557.128.400113.1L416 S419 I420 Q423 E428 R429 M430 K435 W436L416-Q432 PolarHBondContact O-NE2 3.38Å; S419-Q432 PolarHBondContact OG-NE2 3.39Å; I420-Q432 HydrophobicContact CB-CG 4.32Å; I420-Q432 HydrophobicContact CG1-CB 4.35Å; I420-Q432 HydrophobicContact CG1-CG 3.8Å; Q423-Q432 HydrophobicContact CG-CB 3.94Å; Q423-Q432 HydrophobicContact CG-CG 4.27Å; E428-Q432 WeakPolarHBondContact O-CB 3.18Å; E428-Q432 PolarHBondContact O-N 2.74Å; R429-Q432 CarbonylContact O-C 3.22Å; R429-Q432 PolarHBondContact O-N 2.89Å; R429-Q432 VanDerWaalsContact O-N 3.09Å; M430-Q432 VanDerWaalsContact C-N 3.29Å; M430-Q432 PolarHBondContact O-N 2.99Å; Q432-K435 WeakPolarHBondContact O-CB 3.38Å; Q432-K435 PolarHBondContact O-N 3.38Å; Q432-W436 PolarHBondContact O-N 2.88Å
433V98.6Very high96Very high0 Ų031.6 Ų31.60%016%0.156CC..Hα-helixtrans-59.9-49.6170174.10000110.1I420 R429 M430 K435 W436 Y437 Y556 I582I420-V433 HydrophobicContact CD1-CG2 4.02Å; I420-V433 HydrophobicContact CG1-CG2 4.22Å; I420-V433 HydrophobicContact CG2-CG2 3.52Å; R429-V433 WeakPolarHBondContact O-CG2 3.5Å; R429-V433 PolarHBondContact O-N 3.41Å; M430-V433 PolarHBondContact O-N 3.47Å; V433-K435 PolarHBondContact O-N 3.18Å; V433-W436 PolarHBondContact O-N 3.13Å; V433-Y437 VanDerWaalsContact O-CB 3.29Å; V433-Y437 WeakPolarHBondContact O-CB 3.3Å; V433-Y437 PolarHBondContact O-N 2.93Å; V433-Y556 HydrophobicContact CB-CD1 4.45Å; V433-Y556 HydrophobicContact CG1-CD1 4.44Å; V433-Y556 HydrophobicContact CG1-CG 4.39Å; V433-Y556 HydrophobicContact CG2-CD1 3.83Å; V433-Y556 HydrophobicContact CG2-CD2 3.92Å; V433-Y556 HydrophobicContact CG2-CE1 4Å; V433-Y556 HydrophobicContact CG2-CE2 4.08Å; V433-Y556 HydrophobicContact CG2-CG 3.81Å; V433-I582 HydrophobicContact CG1-CD1 4.2Å; V433-I582 HydrophobicContact CG1-CG2 3.86Å
434V98.5Very high94.8Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-61.8-34.6176.2173.50000111.2M430 V431 L438 I582 A591 I593 A610 I612 I624M430-V434 WeakPolarHBondContact O-CG2 3.2Å; M430-V434 PolarHBondContact O-N 3.05Å; M430-V434 HydrophobicContact SD-CG2 4.26Å; V431-V434 PolarHBondContact O-N 2.73Å; V434-L438 HydrophobicContact CG1-CD1 3.88Å; V434-L438 HydrophobicContact CG1-CG 4.4Å; V434-L438 WeakPolarHBondContact O-CB 3.28Å; V434-L438 WeakPolarHBondContact O-CG 3.43Å; V434-L438 PolarHBondContact O-N 3.17Å; V434-I582 HydrophobicContact CG2-CD1 4.22Å; V434-A591 HydrophobicContact CG2-CB 3.59Å; V434-I593 HydrophobicContact CG1-CD1 4.29Å; V434-A610 HydrophobicContact CG1-CB 4.45Å; V434-I612 HydrophobicContact CB-CD1 3.98Å; V434-I612 HydrophobicContact CG1-CD1 4.05Å; V434-I612 HydrophobicContact CG2-CD1 3.89Å; V434-I612 HydrophobicContact CG2-CG1 4.21Å; V434-I624 HydrophobicContact CG1-CD1 3.88Å
435K98Very high93.7Very high63 Ų6328.3 Ų28.327%0.27414%0.135SC..Hα-helixtrans-68.1-47177.7-165.3179178.5179.20113.1L416 V431 Q432 V433 S439 F644 I645L416-K435 HydrophobicContact CD2-CD 4.34Å; V431-K435 WeakPolarHBondContact O-CB 3.33Å; V431-K435 PolarHBondContact O-N 3.12Å; Q432-K435 WeakPolarHBondContact O-CB 3.38Å; Q432-K435 PolarHBondContact O-N 3.38Å; V433-K435 PolarHBondContact O-N 3.18Å; K435-S439 PolarHBondContact O-N 2.64Å; K435-F644 HydrophobicContact CB-CE1 3.94Å; K435-F644 HydrophobicContact CB-CE2 4.43Å; K435-F644 HydrophobicContact CB-CZ 3.63Å; K435-F644 HydrophobicContact CD-CZ 4.5Å; K435-F644 VanDerWaalsContact CE-O 3.3Å; K435-F644 WeakPolarHBondContact CE-O 3.02Å; K435-F644 HydrophobicContact CG-CE1 3.99Å; K435-F644 HydrophobicContact CG-CE2 4.5Å; K435-F644 HydrophobicContact CG-CZ 3.94Å; K435-I645 HydrophobicContact CG-CD1 3.92Å; K435-I645 HydrophobicContact CG-CG1 3.81Å; K435-I645 VanDerWaalsContact O-CD1 3.25Å; K435-I645 WeakPolarHBondContact O-CD1 3.48Å
436W98Very high92Very high5 Ų527.8 Ų27.82%0.01914%0.136CC..Hα-helixtrans-63.1-47173.1165.263.9000111.3F410 F411 L416 F417 I420 Q432 V433 L438 S439 A440 F522 V547 L558F410-W436 PolarHBondContact O-NE1 2.9Å; F410-W436 VanDerWaalsContact O-NE1 3.12Å; F411-W436 HydrophobicContact CD1-CZ2 4.14Å; F411-W436 HydrophobicContact CE1-CH2 4.34Å; F411-W436 AromaticContact CE1-CZ2 3.6Å; F411-W436 HydrophobicContact CE1-CZ2 3.6Å; F411-W436 HydrophobicContact CE2-CZ2 4.33Å; F411-W436 HydrophobicContact CZ-CH2 4.17Å; F411-W436 AromaticContact CZ-CZ2 3.69Å; F411-W436 HydrophobicContact CZ-CZ2 3.69Å; L416-W436 HydrophobicContact CB-CB 4.08Å; F417-W436 HydrophobicContact CB-CD2 4.36Å; F417-W436 HydrophobicContact CB-CG 4.14Å; F417-W436 HydrophobicContact CD2-CD2 4.07Å; F417-W436 AromaticContact CD2-CE2 3.94Å; F417-W436 HydrophobicContact CD2-CE3 4.35Å; F417-W436 HydrophobicContact CD2-CH2 4.36Å; F417-W436 HydrophobicContact CD2-CZ2 4.09Å; F417-W436 HydrophobicContact CD2-CZ3 4.49Å; I420-W436 HydrophobicContact CD1-CB 4.19Å; I420-W436 HydrophobicContact CD1-CD2 4.39Å; I420-W436 HydrophobicContact CD1-CE3 4.09Å; I420-W436 HydrophobicContact CD1-CG 4.44Å; Q432-W436 PolarHBondContact O-N 2.88Å; V433-W436 PolarHBondContact O-N 3.13Å; W436-L438 VanDerWaalsContact C-N 3.32Å; W436-L438 PolarHBondContact O-N 2.95Å; W436-S439 PolarHBondContact O-N 2.71Å; W436-S439 PolarHBondContact O-OG 3.42Å; W436-A440 PolarHBondContact O-N 3.28Å; W436-A440 VanDerWaalsContact O-N 3.14Å; W436-F522 AromaticContact CH2-CD2 3.96Å; W436-F522 HydrophobicContact CH2-CD2 3.96Å; W436-F522 AromaticContact CH2-CE2 3.83Å; W436-F522 HydrophobicContact CH2-CE2 3.83Å; W436-F522 HydrophobicContact CH2-CZ 4.35Å; W436-F522 HydrophobicContact CZ3-CD2 4.46Å; W436-F522 HydrophobicContact CZ3-CE2 4.34Å; W436-V547 HydrophobicContact CE3-CG2 4.12Å; W436-V547 HydrophobicContact CH2-CG2 4.17Å; W436-V547 HydrophobicContact CZ3-CG2 3.44Å; W436-V547 VanDerWaalsContact CZ3-CG2 3.44Å; W436-L558 HydrophobicContact CZ3-CD2 4.01Å
437Y98.3Very high90.4Very high4 Ų429.2 Ų29.22%0.01614%0.142CC..Hα-helixtrans-58.3-43.3179.7179.7-97.7000112.1V433 S439 A440 F441 L558 T559 P561 C580 I582 I593 F595V433-Y437 VanDerWaalsContact O-CB 3.29Å; V433-Y437 WeakPolarHBondContact O-CB 3.3Å; V433-Y437 PolarHBondContact O-N 2.93Å; Y437-S439 VanDerWaalsContact C-N 3.29Å; Y437-S439 PolarHBondContact O-N 2.94Å; Y437-A440 WeakPolarHBondContact O-CB 3.03Å; Y437-A440 PolarHBondContact O-N 3.12Å; Y437-F441 HydrophobicContact CD1-CE2 4.07Å; Y437-F441 HydrophobicContact CD2-CE2 4.2Å; Y437-F441 HydrophobicContact CD2-CZ 4.42Å; Y437-F441 AromaticContact CE1-CE2 3.72Å; Y437-F441 HydrophobicContact CE1-CE2 3.72Å; Y437-F441 HydrophobicContact CE1-CZ 4.19Å; Y437-F441 AromaticContact CE2-CE2 3.85Å; Y437-F441 HydrophobicContact CE2-CE2 3.85Å; Y437-F441 AromaticContact CE2-CZ 3.72Å; Y437-F441 HydrophobicContact CE2-CZ 3.72Å; Y437-F441 HydrophobicContact CG-CE2 4.31Å; Y437-F441 AromaticContact CZ-CE2 3.59Å; Y437-F441 AromaticContact CZ-CZ 3.59Å; Y437-F441 VanDerWaalsContact O-CD2 3.24Å; Y437-F441 WeakPolarHBondContact O-CD2 3.32Å; Y437-F441 WeakPolarHBondContact O-CE2 3.48Å; Y437-L558 HydrophobicContact CD2-CD1 4.34Å; Y437-L558 HydrophobicContact CD2-CD2 4Å; Y437-L558 HydrophobicContact CE2-CD1 4.09Å; Y437-T559 PolarHBondContact OH-O 3.31Å; Y437-P561 WeakPolarHBondContact OH-CD 3.36Å; Y437-C580 HydrophobicContact CE1-CB 4.31Å; Y437-C580 WeakPolarHBondContact OH-CB 3.47Å; Y437-C580 PolarHBondContact OH-SG 2.95Å; Y437-I582 HydrophobicContact CD1-CD1 3.98Å; Y437-I582 HydrophobicContact CD2-CD1 4.34Å; Y437-I582 HydrophobicContact CG-CD1 3.83Å; Y437-I593 HydrophobicContact CD1-CD1 3.47Å; Y437-I593 VanDerWaalsContact CD1-CD1 3.47Å; Y437-I593 HydrophobicContact CE1-CD1 3.65Å; Y437-I593 HydrophobicContact CE1-CG2 4.41Å; Y437-F595 HydrophobicContact CE1-CE2 4.15Å; Y437-F595 HydrophobicContact CE1-CZ 4.41Å
438L97.3Very high88.9Confident1 Ų128.3 Ų28.31%0.00515%0.154CC..Hα-helixtrans-70.3-18.9176.6-73.1174.4000114V434 W436 I593 F595 V608 A610 I624 M632 F644 I645V434-L438 HydrophobicContact CG1-CD1 3.88Å; V434-L438 HydrophobicContact CG1-CG 4.4Å; V434-L438 WeakPolarHBondContact O-CB 3.28Å; V434-L438 WeakPolarHBondContact O-CG 3.43Å; V434-L438 PolarHBondContact O-N 3.17Å; W436-L438 VanDerWaalsContact C-N 3.32Å; W436-L438 PolarHBondContact O-N 2.95Å; L438-I593 HydrophobicContact CD2-CG2 3.89Å; L438-F595 HydrophobicContact CD2-CZ 4.32Å; L438-V608 HydrophobicContact CD2-CG2 3.8Å; L438-A610 HydrophobicContact CD1-CB 4.36Å; L438-I624 HydrophobicContact CD1-CD1 4.47Å; L438-I624 HydrophobicContact CD1-CG2 4.25Å; L438-M632 HydrophobicContact CB-CE 4.24Å; L438-M632 HydrophobicContact CB-SD 4.01Å; L438-M632 HydrophobicContact CD1-SD 4.12Å; L438-M632 HydrophobicContact CD2-SD 4.24Å; L438-M632 HydrophobicContact CG-SD 4.36Å; L438-F644 HydrophobicContact CD1-CE1 4.12Å; L438-I645 HydrophobicContact CB-CD1 3.63Å
439S95.5Very high88Confident0 Ų025.2 Ų25.20%014%0.141CC..Hα-helixtrans-85-17.9171.972.40000113.8L416 K435 W436 Y437 F441 H442L416-S439 WeakPolarHBondContact CD1-OG 3.43Å; K435-S439 PolarHBondContact O-N 2.64Å; W436-S439 PolarHBondContact O-N 2.71Å; W436-S439 PolarHBondContact O-OG 3.42Å; Y437-S439 VanDerWaalsContact C-N 3.29Å; Y437-S439 PolarHBondContact O-N 2.94Å; S439-F441 PolarHBondContact O-N 3.25Å; S439-F441 VanDerWaalsContact O-N 3.14Å; S439-H442 PolarHBondContact O-CD2 3.22Å
440A94.1Very high87.1Confident4 Ų425.8 Ų25.83%0.03315%0.147CC..THydrogen-bonded Turntrans-62.7-20.6-17600000115.2F410 W436 Y437F410-A440 HydrophobicContact CB-CB 4.02Å; F410-A440 HydrophobicContact CD1-CB 4.11Å; F410-A440 HydrophobicContact CG-CB 4.31Å; W436-A440 PolarHBondContact O-N 3.28Å; W436-A440 VanDerWaalsContact O-N 3.14Å; Y437-A440 WeakPolarHBondContact O-CB 3.03Å; Y437-A440 PolarHBondContact O-N 3.12Å
441F92.1Very high86.5Confident5 Ų527.5 Ų27.52%0.02215%0.154CC..THydrogen-bonded Turntrans-96.8-19.5-164.3-65.7-74.4000116.4F410 Y437 S439 R445 P561 L576 F595 W628F410-F441 HydrophobicContact CE1-CD1 4.27Å; F410-F441 HydrophobicContact CE1-CE1 4.02Å; F410-F441 HydrophobicContact CZ-CE1 4.38Å; Y437-F441 HydrophobicContact CD1-CE2 4.07Å; Y437-F441 HydrophobicContact CD2-CE2 4.2Å; Y437-F441 HydrophobicContact CD2-CZ 4.42Å; Y437-F441 AromaticContact CE1-CE2 3.72Å; Y437-F441 HydrophobicContact CE1-CE2 3.72Å; Y437-F441 HydrophobicContact CE1-CZ 4.19Å; Y437-F441 AromaticContact CE2-CE2 3.85Å; Y437-F441 HydrophobicContact CE2-CE2 3.85Å; Y437-F441 AromaticContact CE2-CZ 3.72Å; Y437-F441 HydrophobicContact CE2-CZ 3.72Å; Y437-F441 HydrophobicContact CG-CE2 4.31Å; Y437-F441 AromaticContact CZ-CE2 3.59Å; Y437-F441 AromaticContact CZ-CZ 3.59Å; Y437-F441 VanDerWaalsContact O-CD2 3.24Å; Y437-F441 WeakPolarHBondContact O-CD2 3.32Å; Y437-F441 WeakPolarHBondContact O-CE2 3.48Å; S439-F441 PolarHBondContact O-N 3.25Å; S439-F441 VanDerWaalsContact O-N 3.14Å; F441-R445 PolarHBondContact O-NH1 2.94Å; F441-P561 HydrophobicContact CD1-CG 4.1Å; F441-P561 HydrophobicContact CE1-CG 3.53Å; F441-P561 HydrophobicContact CZ-CG 3.86Å; F441-L576 HydrophobicContact CB-CD1 3.89Å; F441-L576 HydrophobicContact CD1-CD1 3.87Å; F441-L576 HydrophobicContact CG-CD1 4Å; F441-F595 HydrophobicContact CD2-CE1 4.22Å; F441-F595 AromaticContact CD2-CZ 3.76Å; F441-F595 HydrophobicContact CD2-CZ 3.76Å; F441-F595 AromaticContact CE2-CZ 3.8Å; F441-F595 HydrophobicContact CE2-CZ 3.8Å; F441-F595 HydrophobicContact CG-CE1 4.46Å; F441-F595 HydrophobicContact CG-CZ 4.36Å; F441-F595 HydrophobicContact CZ-CZ 4.45Å; F441-W628 HydrophobicContact CB-CE3 4.13Å; F441-W628 WeakPolarHBondContact O-CZ3 3.4Å
442H89.3Confident85.9Confident15 Ų1529.6 Ų29.67%0.06916%0.161CC..THydrogen-bonded Turntrans-82.9-36.9-178.174.493000113.1H413 S439 G444 R445 N446 N629 T647H413-H442 AromaticContact NE2-NE2 3.6Å; S439-H442 PolarHBondContact O-CD2 3.22Å; H442-G444 PolarHBondContact O-N 2.82Å; H442-R445 PolarHBondContact O-N 2.86Å; H442-N446 PolarHBondContact O-OD1 3.49Å; H442-N629 HydrophobicContact CB-CB 4.33Å; H442-T647 HydrophobicContact CB-CG2 4.43Å; H442-T647 WeakPolarHBondContact CD2-CG2 3.47Å; H442-T647 PolarHBondContact NE2-O 3.34Å
443A81.7Confident85.6Confident9 Ų929.6 Ų29.67%0.07416%0.162CC..THydrogen-bonded Turntrans-25.8-72.2176.100000115.5A412 R445 N446 I652A412-A443 HydrophobicContact CB-CB 3.87Å; A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 3.28Å; A443-N446 PolarHBondContact O-ND2 3.33Å; A443-I652 HydrophobicContact CB-CG2 3.47Å; A443-I652 VanDerWaalsContact CB-CG2 3.47Å
444G70.3Confident85.3Confident17 Ų1729.8 Ų29.818%0.17516%0.163CC..THydrogen-bonded Turntrans-8723.9-176.800000115.1D409 H442D409-G444 WeakPolarHBondContact OD2-CA 3.15Å; D409-G444 PolarHBondContact OD2-N 3.47Å; H442-G444 PolarHBondContact O-N 2.82Å
445R72.4Confident84.9Confident58 Ų5832.4 Ų32.422%0.21918%0.177CC..  trans-140.337.4-176-62.2-175.5-177.776.210.1112.4F441 H442 A443 W628F441-R445 PolarHBondContact O-NH1 2.94Å; H442-R445 PolarHBondContact O-N 2.86Å; A443-R445 VanDerWaalsContact C-N 3.29Å; A443-R445 PolarHBondContact O-N 3.28Å; R445-W628 HydrophobicContact CB-CH2 4.32Å; R445-W628 HydrophobicContact CB-CZ3 4.32Å
446N63.5Low84.8Confident100 Ų10029.4 Ų29.454%0.53516%0.164SC..  trans-73.8-34.1177.4-65.5-26000112.5H442 A443H442-N446 PolarHBondContact O-OD1 3.49Å; A443-N446 PolarHBondContact O-ND2 3.33Å
447D64.4Low84.6Confident65 Ų6529.4 Ų29.435%0.34816%0.164SC..SBendtrans-62138.5179.3-71.714.2000111.8V449 K451D447-V449 VanDerWaalsContact C-N 3.25Å; D447-V449 PolarHBondContact O-N 3.33Å; D447-K451 WeakPolarHBondContact OD2-CE 3.4Å; D447-K451 IonicContact OD2-NZ 2.78Å; D447-K451 PolarHBondContact OD2-NZ 3.42Å
448S64.7Low84.5Confident105 Ų10530.1 Ų30.173%0.73417%0.168SC*.SBendtrans-73.9-19.4175.373.40000113.4
449V77.9Confident84.4Confident17 Ų1730.1 Ų30.110%0.10317%0.168CC..SBendtrans-104.1128.9-179.6-172.80000109.4D447 K451 V571 P572D447-V449 VanDerWaalsContact C-N 3.25Å; D447-V449 PolarHBondContact O-N 3.33Å; V449-K451 PolarHBondContact O-N 3.43Å; V449-V571 HydrophobicContact CG1-CG1 4.41Å; V449-V571 HydrophobicContact CG2-CG1 3.91Å; V449-P572 CarbonylContact C-O 3.57Å; V449-P572 WeakPolarHBondContact CA-O 3.47Å; V449-P572 HydrophobicContact CG1-CG 3.94Å
450A80.7Confident84.5Confident18 Ų1830.1 Ų30.115%0.14917%0.168CC..  trans-75.1112.817500000111.5P572 V574A450-P572 HydrophobicContact CB-CB 4.13Å; A450-P572 HydrophobicContact CB-CG 4.49Å; A450-P572 PolarHBondContact N-O 2.94Å; A450-V574 HydrophobicContact CB-CG2 3.5Å
451K83.9Confident84.7Confident36 Ų3630.1 Ų30.116%0.15717%0.167CC..  trans-100161.5169.1-57.5172-167.21720108.9D361 E364 I397 E399 D447 V449D361-K451 IonicContact OD1-NZ 2.62Å; D361-K451 PolarHBondContact OD1-NZ 2.91Å; D361-K451 IonicContact OD2-NZ 2.78Å; D361-K451 PolarHBondContact OD2-NZ 3.23Å; E364-K451 WeakPolarHBondContact OE2-CE 3.43Å; E364-K451 IonicContact OE2-NZ 2.64Å; E364-K451 PolarHBondContact OE2-NZ 3.17Å; I397-K451 CarbonylContact O-C 3.59Å; I397-K451 WeakPolarHBondContact O-CA 3.27Å; E399-K451 HydrophobicContact CB-CB 3.79Å; E399-K451 HydrophobicContact CG-CB 4.24Å; D447-K451 WeakPolarHBondContact OD2-CE 3.4Å; D447-K451 IonicContact OD2-NZ 2.78Å; D447-K451 PolarHBondContact OD2-NZ 3.42Å; V449-K451 PolarHBondContact O-N 3.43Å
452K86.6Confident85Confident83 Ų8330 Ų3036%0.36117%0.167SC..EExtended strand (participates in β ladder)trans-111.5124.2178.3-177.7-168.1169.4-176.30110L393 I397 L398 E399L393-K452 HydrophobicContact CD1-CD 3.84Å; I397-K452 PolarHBondContact O-N 3.03Å; L398-K452 CarbonylContact C-O 3.52Å; L398-K452 VanDerWaalsContact CA-O 3.24Å; L398-K452 WeakPolarHBondContact CA-O 3.49Å; L398-K452 HydrophobicContact CD2-CB 4.31Å; L398-K452 WeakPolarHBondContact CD2-O 3.13Å; E399-K452 PolarHBondContact N-O 2.83Å
453P90.9Very high85.3Confident17 Ų1730.2 Ų30.211%0.1117%0.168CC..EExtended strand (participates in β ladder)trans-63.5158.7174.929.4-37.5000112R401 L403 M406 N455R401-P453 WeakPolarHBondContact O-CA 3.24Å; R401-P453 WeakPolarHBondContact O-CB 3.25Å; L403-P453 HydrophobicContact CB-CB 4.4Å; L403-P453 HydrophobicContact CB-CG 4.28Å; L403-P453 HydrophobicContact CD1-CG 3.73Å; M406-P453 HydrophobicContact SD-CG 3.93Å; P453-N455 PolarHBondContact O-N 3.46Å
454Y92.6Very high86.1Confident3 Ų329.9 Ų29.91%0.01217%0.165CC..EExtended strand (participates in β ladder)trans-59.5134.7175.5-46.9-43.3000110.3L398 E399 R400 R401 L403 P456 W672 V675 T676 L679L398-Y454 HydrophobicContact CB-CD1 4.22Å; L398-Y454 HydrophobicContact CB-CE1 4.01Å; L398-Y454 HydrophobicContact CD1-CD1 4.1Å; L398-Y454 HydrophobicContact CD1-CE1 4.21Å; E399-Y454 VanDerWaalsContact O-CE1 3.25Å; E399-Y454 WeakPolarHBondContact O-CE1 3.36Å; R400-Y454 WeakPolarHBondContact CA-OH 3.44Å; R401-Y454 WeakPolarHBondContact O-CD2 3.16Å; R401-Y454 PolarHBondContact O-N 3.23Å; L403-Y454 PolarHBondContact N-O 3.1Å; L403-Y454 VanDerWaalsContact N-O 3.07Å; Y454-P456 WeakPolarHBondContact O-CD 3.42Å; Y454-W672 HydrophobicContact CD1-CE3 4.16Å; Y454-W672 HydrophobicContact CD1-CZ3 4.46Å; Y454-W672 HydrophobicContact CD2-CB 3.54Å; Y454-W672 AromaticContact CD2-CD1 3.96Å; Y454-W672 AromaticContact CD2-CD2 3.46Å; Y454-W672 HydrophobicContact CD2-CD2 3.46Å; Y454-W672 VanDerWaalsContact CD2-CD2 3.46Å; Y454-W672 AromaticContact CD2-CE3 3.73Å; Y454-W672 HydrophobicContact CD2-CE3 3.73Å; Y454-W672 AromaticContact CD2-CG 3.35Å; Y454-W672 HydrophobicContact CD2-CG 3.35Å; Y454-W672 HydrophobicContact CE2-CB 3.49Å; Y454-W672 VanDerWaalsContact CE2-CB 3.49Å; Y454-W672 HydrophobicContact CE2-CD2 4.18Å; Y454-W672 HydrophobicContact CE2-CE3 4.25Å; Y454-W672 AromaticContact CE2-CG 3.88Å; Y454-W672 HydrophobicContact CE2-CG 3.88Å; Y454-W672 AromaticContact CG-CD2 3.72Å; Y454-W672 HydrophobicContact CG-CD2 3.72Å; Y454-W672 AromaticContact CG-CE3 3.67Å; Y454-W672 HydrophobicContact CG-CE3 3.67Å; Y454-W672 HydrophobicContact CG-CG 4.13Å; Y454-W672 HydrophobicContact CG-CZ3 4.16Å; Y454-V675 HydrophobicContact CE1-CG1 3.82Å; Y454-T676 WeakPolarHBondContact OH-CA 3.48Å; Y454-T676 PolarHBondContact OH-N 2.96Å; Y454-T676 PolarHBondContact OH-OG1 2.91Å; Y454-L679 HydrophobicContact CE1-CD1 4.02Å
455N91.3Very high87.3Confident56 Ų5629.5 Ų29.530%0.29916%0.159SC..  trans-74.6115.5174.9-177.160.8000108.3P453 H504 W672P453-N455 PolarHBondContact O-N 3.46Å; N455-H504 PolarHBondContact ND2-CE1 3.39Å; N455-W672 WeakPolarHBondContact O-CZ2 3.48Å
456P94.7Very high88.4Confident0 Ų026.9 Ų26.90%015%0.149CC..PPolyproline II helixtrans-66.9145.3-168.6-20.332.9000112.5L403 L404 Y454 E460 Q501 H504L403-P456 HydrophobicContact CB-CG 3.74Å; L404-P456 HydrophobicContact CD1-CB 4.48Å; L404-P456 HydrophobicContact CD2-CB 4.38Å; L404-P456 HydrophobicContact CD2-CG 4Å; L404-P456 HydrophobicContact CG-CB 4.07Å; L404-P456 HydrophobicContact CG-CG 3.86Å; Y454-P456 WeakPolarHBondContact O-CD 3.42Å; P456-E460 VanDerWaalsContact CA-OE2 3.26Å; P456-E460 WeakPolarHBondContact CA-OE2 3.35Å; P456-E460 HydrophobicContact CB-CB 4.22Å; P456-E460 HydrophobicContact CB-CG 4.37Å; P456-Q501 HydrophobicContact CB-CB 3.83Å; P456-Q501 HydrophobicContact CB-CG 3.81Å; P456-H504 PolarHBondContact O-ND1 3.31Å; P456-H504 VanDerWaalsContact O-ND1 3.16Å
457I94.4Very high89.7Confident5 Ų524.9 Ų24.93%0.02614%0.138CC..PPolyproline II helixtrans-78154.1173.669170.3000110.1G459 E460 Q501 Y666 L671 W672 L694 Q698I457-G459 PolarHBondContact O-N 3.01Å; I457-E460 HydrophobicContact CG1-CB 3.9Å; I457-E460 PolarHBondContact N-OE2 2.87Å; I457-E460 VanDerWaalsContact N-OE2 3.09Å; I457-E460 WeakPolarHBondContact O-CB 3.48Å; I457-E460 PolarHBondContact O-N 2.83Å; I457-Q501 VanDerWaalsContact O-CB 3.24Å; I457-Q501 WeakPolarHBondContact O-CB 3.39Å; I457-Y666 HydrophobicContact CD1-CD1 4.2Å; I457-Y666 HydrophobicContact CD1-CE1 4.12Å; I457-L671 HydrophobicContact CD1-CD1 3.78Å; I457-L671 HydrophobicContact CD1-CD2 3.98Å; I457-L671 HydrophobicContact CG1-CD1 3.95Å; I457-W672 HydrophobicContact CG2-CZ2 4.13Å; I457-L694 HydrophobicContact CD1-CD1 4.14Å; I457-L694 HydrophobicContact CG2-CG 4.32Å; I457-Q698 HydrophobicContact CB-CG 4.21Å
458L95.5Very high90.9Very high19 Ų1922.5 Ų22.510%0.09913%0.125CC..THydrogen-bonded Turntrans-55.8129.9178-174.167.9000111.1E460 H504 Q698 W712L458-E460 PolarHBondContact O-N 3.17Å; L458-H504 HydrophobicContact CB-CB 4.23Å; L458-H504 HydrophobicContact CD1-CB 4.43Å; L458-Q698 VanDerWaalsContact N-NE2 3.16Å; L458-W712 HydrophobicContact CD1-CG 4.28Å; L458-W712 HydrophobicContact CD2-CB 4Å; L458-W712 HydrophobicContact CD2-CD2 3.64Å; L458-W712 HydrophobicContact CD2-CE3 3.82Å; L458-W712 HydrophobicContact CD2-CG 3.68Å; L458-W712 HydrophobicContact CG-CD2 3.8Å; L458-W712 HydrophobicContact CG-CE3 4.23Å; L458-W712 HydrophobicContact CG-CG 4Å
459G95.4Very high91.6Very high0 Ų021.7 Ų21.70%012%0.117CC..THydrogen-bonded Turntrans75.23.5-177.300000115.5I457 Q501 W712 R715I457-G459 PolarHBondContact O-N 3.01Å; G459-Q501 PolarHBondContact N-O 3.43Å; G459-W712 VanDerWaalsContact CA-CZ2 3.41Å; G459-R715 PolarHBondContact O-NH1 2.71Å
460E97.8Very high91.1Very high0 Ų025.8 Ų25.80%014%0.138CC..  trans-57.1140.6165.9180171.6153.700110.2S402 L404 P456 I457 L458 E500 Q501 S668 L671 W672S402-E460 WeakPolarHBondContact CB-OE1 3.41Å; S402-E460 PolarHBondContact OG-OE1 2.92Å; L404-E460 HydrophobicContact CD1-CB 4.22Å; L404-E460 HydrophobicContact CD1-CG 3.86Å; L404-E460 VanDerWaalsContact CD1-O 3.29Å; L404-E460 WeakPolarHBondContact CD1-O 3.16Å; P456-E460 VanDerWaalsContact CA-OE2 3.26Å; P456-E460 WeakPolarHBondContact CA-OE2 3.35Å; P456-E460 HydrophobicContact CB-CB 4.22Å; P456-E460 HydrophobicContact CB-CG 4.37Å; I457-E460 HydrophobicContact CG1-CB 3.9Å; I457-E460 PolarHBondContact N-OE2 2.87Å; I457-E460 VanDerWaalsContact N-OE2 3.09Å; I457-E460 WeakPolarHBondContact O-CB 3.48Å; I457-E460 PolarHBondContact O-N 2.83Å; L458-E460 PolarHBondContact O-N 3.17Å; E460-E500 CarbonylContact O-C 3.58Å; E460-E500 WeakPolarHBondContact O-CA 3.43Å; E460-Q501 HydrophobicContact CB-CB 4.29Å; E460-Q501 PolarHBondContact O-N 2.86Å; E460-S668 WeakPolarHBondContact OE1-CB 3.34Å; E460-S668 PolarHBondContact OE1-OG 3.25Å; E460-L671 HydrophobicContact CB-CD1 4.05Å; E460-L671 HydrophobicContact CG-CD1 3.74Å; E460-W672 VanDerWaalsContact CD-NE1 3.34Å; E460-W672 PolarHBondContact OE1-NE1 2.94Å; E460-W672 PolarHBondContact OE2-NE1 3.01Å
461V98.1Very high90Very high4 Ų434.2 Ų34.22%0.02418%0.175CC..EExtended strand (participates in β ladder)trans-131.1154.1179.8-70.30000111.9F463 A499 E500 Y666 E667 S668 L716V461-F463 HydrophobicContact CB-CE2 3.98Å; V461-F463 HydrophobicContact CG2-CE2 3.8Å; V461-A499 CarbonylContact C-O 3.59Å; V461-A499 WeakPolarHBondContact CA-O 3.24Å; V461-E500 HydrophobicContact CG1-CB 4.05Å; V461-E500 HydrophobicContact CG1-CG 3.96Å; V461-Y666 WeakPolarHBondContact CG2-O 3.5Å; V461-Y666 PolarHBondContact N-O 3.39Å; V461-E667 HydrophobicContact CG2-CG 4.12Å; V461-E667 CarbonylContact O-C 3.59Å; V461-E667 VanDerWaalsContact O-CA 3.25Å; V461-E667 WeakPolarHBondContact O-CA 3.44Å; V461-S668 PolarHBondContact O-N 3.39Å; V461-S668 PolarHBondContact O-OG 3.4Å; V461-L716 HydrophobicContact CB-CD1 4.38Å; V461-L716 HydrophobicContact CG1-CD1 3.7Å
462F98Very high88.3Confident2 Ų239.8 Ų39.81%0.00920%0.199CC..EExtended strand (participates in β ladder)trans-137.7138.8173.4-177.6-104.2000110.6L404 E405 A408 C464 F497 V498 A499 V657 R669L404-F462 HydrophobicContact CB-CB 3.91Å; E405-F462 HydrophobicContact CB-CD1 4.29Å; E405-F462 HydrophobicContact CB-CD2 3.91Å; E405-F462 HydrophobicContact CB-CE1 4.14Å; E405-F462 HydrophobicContact CB-CE2 3.75Å; E405-F462 HydrophobicContact CB-CG 4.18Å; E405-F462 HydrophobicContact CB-CZ 3.87Å; E405-F462 VanDerWaalsContact CD-CE2 3.49Å; E405-F462 HydrophobicContact CG-CD2 4.37Å; E405-F462 HydrophobicContact CG-CE1 4.02Å; E405-F462 HydrophobicContact CG-CE2 3.68Å; E405-F462 HydrophobicContact CG-CZ 3.49Å; E405-F462 VanDerWaalsContact CG-CZ 3.49Å; E405-F462 WeakPolarHBondContact OE2-CE2 3.15Å; A408-F462 HydrophobicContact CB-CD1 4.36Å; A408-F462 HydrophobicContact CB-CE1 3.82Å; F462-C464 HydrophobicContact CE1-CB 3.8Å; F462-C464 HydrophobicContact CZ-CB 4.04Å; F462-F497 HydrophobicContact CD1-CD1 4.14Å; F462-F497 AromaticContact CD1-CE1 3.98Å; F462-F497 HydrophobicContact CD1-CE1 3.98Å; F462-V498 CarbonylContact O-C 3.57Å; F462-V498 VanDerWaalsContact O-CA 3.26Å; F462-V498 WeakPolarHBondContact O-CA 3.3Å; F462-A499 PolarHBondContact N-O 3.17Å; F462-A499 PolarHBondContact O-N 3.26Å; F462-V657 HydrophobicContact CE2-CG1 4.15Å; F462-V657 HydrophobicContact CE2-CG2 4.15Å; F462-V657 HydrophobicContact CZ-CG2 3.78Å; F462-R669 HydrophobicContact CE2-CG 4.45Å
463F97.2Very high86.2Confident21 Ų2145.5 Ų45.59%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-131131.9179.6-61.7-96.9000110.3V461 P486 V498 L664 E667 L716V461-F463 HydrophobicContact CB-CE2 3.98Å; V461-F463 HydrophobicContact CG2-CE2 3.8Å; F463-P486 WeakPolarHBondContact CD1-O 3.36Å; F463-V498 HydrophobicContact CD1-CB 4.05Å; F463-V498 HydrophobicContact CD1-CG2 3.52Å; F463-V498 HydrophobicContact CE1-CB 4.25Å; F463-V498 HydrophobicContact CE1-CG2 3.35Å; F463-V498 HydrophobicContact CG-CG2 4.24Å; F463-V498 HydrophobicContact CZ-CG2 3.93Å; F463-L664 HydrophobicContact CE2-CD1 4.17Å; F463-E667 HydrophobicContact CD2-CG 3.79Å; F463-E667 HydrophobicContact CE2-CG 4.15Å; F463-L716 HydrophobicContact CE1-CD1 4.37Å; F463-L716 HydrophobicContact CZ-CD1 3.91Å
464C96.6Very high83.8Confident1 Ų151.8 Ų51.81%0.00726%0.255CS..EExtended strand (participates in β ladder)trans-151.8167.1170.369.80000112.7F462 W466 F497 K655 K656 V657F462-C464 HydrophobicContact CE1-CB 3.8Å; F462-C464 HydrophobicContact CZ-CB 4.04Å; C464-W466 WeakPolarHBondContact SG-CH2 3.28Å; C464-F497 PolarHBondContact N-O 2.91Å; C464-F497 PolarHBondContact O-N 3.35Å; C464-K655 HydrophobicContact CB-CB 4.19Å; C464-K656 CarbonylContact C-O 3.53Å; C464-K656 WeakPolarHBondContact CA-O 3.2Å; C464-K656 VanDerWaalsContact CB-O 3.27Å; C464-K656 WeakPolarHBondContact CB-O 3.45Å; C464-V657 HydrophobicContact CB-CG2 3.96Å
465H96.4Very high81.5Confident10 Ų1056.8 Ų56.85%0.04630%0.297CS..EExtended strand (participates in β ladder)trans-139.3161.3168.867.3108.3000112.5D467 V487 W489 V495 K656H465-D467 IonicContact CE1-OD1 2.75Å; H465-D467 PolarHBondContact CE1-OD1 2.78Å; H465-D467 IonicContact CE1-OD2 2.63Å; H465-D467 IonicContact ND1-OD1 3.12Å; H465-D467 PolarHBondContact ND1-OD1 3.16Å; H465-D467 IonicContact ND1-OD2 3.35Å; H465-V487 HydrophobicContact CB-CG1 4.29Å; H465-W489 AromaticContact NE2-NE1 3.97Å; H465-V495 CarbonylContact C-O 3.47Å; H465-V495 WeakPolarHBondContact CA-O 3.48Å; H465-V495 WeakPolarHBondContact CB-O 3.35Å; H465-K656 PolarHBondContact N-O 3.4Å; H465-K656 WeakPolarHBondContact O-CB 3.2Å; H465-K656 PolarHBondContact O-N 3.31Å
466W95.3Very high79.2Confident3 Ų358 Ų581%0.01131%0.31CS..EExtended strand (participates in β ladder)trans-120.8129.6168.4-62.3-104.3000108.5A408 F411 P414 C464 S494 V495 F497 I653 K655A408-W466 HydrophobicContact CB-CH2 4.02Å; A408-W466 HydrophobicContact CB-CZ2 4.42Å; A408-W466 VanDerWaalsContact O-CH2 3.31Å; A408-W466 WeakPolarHBondContact O-CH2 3.37Å; A408-W466 WeakPolarHBondContact O-CZ2 3.46Å; F411-W466 HydrophobicContact CB-CE3 4.29Å; F411-W466 HydrophobicContact CB-CH2 3.51Å; F411-W466 HydrophobicContact CB-CZ2 3.76Å; F411-W466 HydrophobicContact CB-CZ3 3.79Å; F411-W466 HydrophobicContact CG-CH2 4.41Å; F411-W466 PolarHBondContact O-NE1 3.46Å; P414-W466 HydrophobicContact CB-CB 4.1Å; P414-W466 HydrophobicContact CB-CG 4.21Å; P414-W466 HydrophobicContact CG-CB 3.7Å; P414-W466 HydrophobicContact CG-CG 3.82Å; C464-W466 WeakPolarHBondContact SG-CH2 3.28Å; W466-S494 CarbonylContact O-C 3.37Å; W466-S494 WeakPolarHBondContact O-CA 3.39Å; W466-S494 WeakPolarHBondContact O-CB 3.43Å; W466-V495 HydrophobicContact CE3-CB 4.26Å; W466-V495 HydrophobicContact CE3-CG1 4.04Å; W466-V495 HydrophobicContact CZ3-CG1 4.39Å; W466-V495 PolarHBondContact N-O 3.07Å; W466-V495 PolarHBondContact O-N 3.15Å; W466-F497 HydrophobicContact CH2-CB 4.02Å; W466-F497 HydrophobicContact CH2-CG 4.41Å; W466-F497 HydrophobicContact CZ3-CB 3.59Å; W466-F497 HydrophobicContact CZ3-CG 4.44Å; W466-I653 HydrophobicContact CB-CG2 4.23Å; W466-I653 HydrophobicContact CG-CG2 4.47Å; W466-I653 PolarHBondContact NE1-O 2.89Å; W466-K655 HydrophobicContact CD2-CB 4.25Å; W466-K655 HydrophobicContact CH2-CB 4.34Å; W466-K655 HydrophobicContact CZ2-CB 3.6Å; W466-K655 HydrophobicContact CZ2-CD 4.29Å
467D91.3Very high77Confident58 Ų5863.1 Ų63.131%0.3134%0.343SS..EExtended strand (participates in β ladder)trans-89.3113.5173.9-59-30000108.5H465 S494 K656H465-D467 IonicContact CE1-OD1 2.75Å; H465-D467 PolarHBondContact CE1-OD1 2.78Å; H465-D467 IonicContact CE1-OD2 2.63Å; H465-D467 IonicContact ND1-OD1 3.12Å; H465-D467 PolarHBondContact ND1-OD1 3.16Å; H465-D467 IonicContact ND1-OD2 3.35Å; D467-S494 WeakPolarHBondContact OD1-CB 2.97Å; D467-S494 PolarHBondContact OD1-OG 3.17Å; D467-K656 WeakPolarHBondContact OD2-CD 3.36Å; D467-K656 WeakPolarHBondContact OD2-CE 3.34Å; D467-K656 IonicContact OD2-NZ 2.64Å; D467-K656 PolarHBondContact OD2-NZ 3.1Å
468L89Confident74.8Confident14 Ų1469.1 Ų69.17%0.07338%0.382CS..PPolyproline II helixtrans-67.9137.4-177.8-64.7178.8000110.8P414 V418 N470 N493 V495P414-L468 HydrophobicContact CB-CD2 3.88Å; P414-L468 HydrophobicContact CG-CD2 3.81Å; V418-L468 HydrophobicContact CB-CD1 4.34Å; V418-L468 HydrophobicContact CG1-CD1 3.94Å; V418-L468 HydrophobicContact CG2-CD1 3.56Å; L468-N470 PolarHBondContact O-N 2.59Å; L468-N493 WeakPolarHBondContact CD1-O 3.41Å; L468-N493 WeakPolarHBondContact CG-O 3.47Å; L468-N493 PolarHBondContact O-ND2 3.01Å; L468-V495 HydrophobicContact CD1-CG2 4.33Å; L468-V495 HydrophobicContact CD2-CG2 4.26Å; L468-V495 HydrophobicContact CG-CG2 4.4Å
469P80.1Confident72.9Confident88 Ų8872.4 Ų72.457%0.57140%0.403SS*.PPolyproline II helixtrans-59127176.224.4-33.6000110.3E471 I653P469-E471 PolarHBondContact O-N 2.97Å; P469-I653 HydrophobicContact CG-CD1 4.41Å
470N68.2Low71.4Confident103 Ų10380.7 Ų80.755%0.55144%0.442SS*.PPolyproline II helixtrans-73.4123.3176.6-78.4-27.3000109.8L468 K472 N493L468-N470 PolarHBondContact O-N 2.59Å; N470-K472 PolarHBondContact O-N 2.99Å; N470-K472 VanDerWaalsContact O-N 3.07Å; N470-N493 PolarHBondContact OD1-ND2 3.42Å; N470-N493 VanDerWaalsContact OD1-ND2 3.12Å
471E55.9Low70.3Confident195 Ų19583.7 Ų83.791%0.91146%0.463SS*.SBendtrans-66.2-7.4177.5-62.7-172.8127.700114.1P469P469-E471 PolarHBondContact O-N 2.97Å
472K48.5Very low69.3Low153 Ų15384 Ų8467%0.66547%0.465SS*.SBendtrans-144.8136.2175.8-62.7-175.3-177.7177.80111.2N470 E474N470-K472 PolarHBondContact O-N 2.99Å; N470-K472 VanDerWaalsContact O-N 3.07Å; K472-E474 PolarHBondContact O-N 3.42Å
473E42.6Very low68.4Low204 Ų20488.5 Ų88.595%0.95350%0.496SS*.  trans-77.645.1171.3-62.7-174.8123.200112.6A475E473-A475 PolarHBondContact O-N 3.15Å
474E41.8Very low67.6Low149 Ų14990.7 Ų90.770%0.69651%0.509SS*.  trans-84.5102.1167-78.2-179-144.300108.7K472 S476K472-E474 PolarHBondContact O-N 3.42Å; E474-S476 VanDerWaalsContact C-N 3.28Å; E474-S476 PolarHBondContact O-N 2.92Å; E474-S476 PolarHBondContact O-OG 2.89Å
475A43.7Very low67Low108 Ų10891 Ų9189%0.89351%0.513SS*.  trans-62.986.5177.300000110.7E473E473-A475 PolarHBondContact O-N 3.15Å
476S42.3Very low66.6Low81 Ų8190.8 Ų90.857%0.56651%0.512SS*.  trans-63.7151.4171.8-8.80000109.4E474E474-S476 VanDerWaalsContact C-N 3.28Å; E474-S476 PolarHBondContact O-N 2.92Å; E474-S476 PolarHBondContact O-OG 2.89Å
477P47.9Very low66.3Low108 Ų10890.7 Ų90.770%0.70151%0.512SS*.SBendtrans-55.8156.4166.927.4-35.1000109.9T479P477-T479 PolarHBondContact O-N 3.4Å
478P48.2Very low66Low130 Ų13090.6 Ų90.684%0.84451%0.514SS*.  trans-52108-175.221.7-34.2000110.6E480P478-E480 PolarHBondContact O-N 2.8Å
479T56.8Low65.7Low88 Ų8892.8 Ų92.854%0.5452%0.522SS..PPolyproline II helixtrans-61.8126.9-170.2-370000109.6P477 S481 P492P477-T479 PolarHBondContact O-N 3.4Å; T479-S481 PolarHBondContact O-N 3.46Å; T479-P492 HydrophobicContact CG2-CG 3.95Å
480E64Low66Low175 Ų17588.7 Ų88.782%0.81850%0.495SS*.PPolyproline II helixtrans-53.8126.4178.4-63.5179.6148.800109.7P478 P492P478-E480 PolarHBondContact O-N 2.8Å; E480-P492 VanDerWaalsContact O-CD 3.28Å; E480-P492 WeakPolarHBondContact O-CD 3.47Å; E480-P492 WeakPolarHBondContact O-CG 3.36Å
481S74.9Confident66.9Low62 Ų6285.6 Ų85.643%0.43448%0.481SS..PPolyproline II helixtrans-71.7149.5-177.660.20000110.9T479 S483 P488 S490T479-S481 PolarHBondContact O-N 3.46Å; S481-S483 PolarHBondContact O-N 2.83Å; S481-P488 WeakPolarHBondContact CB-O 3.3Å; S481-P488 PolarHBondContact OG-O 2.77Å; S481-S490 VanDerWaalsContact CA-O 3.31Å; S481-S490 WeakPolarHBondContact CA-O 3.39Å; S481-S490 WeakPolarHBondContact CB-O 3.16Å
482V76.9Confident68.3Low11 Ų1177.8 Ų77.87%0.06745%0.448CS..  trans-7773.6-178.3-171.90000109.7D484 G485 P488 S490 P492 V516V482-D484 WeakPolarHBondContact CG1-OD1 3.18Å; V482-D484 PolarHBondContact O-N 3.02Å; V482-D484 VanDerWaalsContact O-N 3.08Å; V482-G485 PolarHBondContact O-N 2.78Å; V482-P488 WeakPolarHBondContact O-CA 3.02Å; V482-S490 PolarHBondContact N-O 2.96Å; V482-S490 VanDerWaalsContact N-O 3.16Å; V482-P492 HydrophobicContact CG2-CB 4.04Å; V482-P492 HydrophobicContact CG2-CG 3.83Å; V482-V516 HydrophobicContact CB-CG2 4.46Å; V482-V516 HydrophobicContact CG1-CG2 3.74Å; V482-V516 HydrophobicContact CG2-CB 4.46Å; V482-V516 HydrophobicContact CG2-CG2 3.9Å
483S78.1Confident70.2Confident96 Ų9671.2 Ų71.267%0.67142%0.42SS*.THydrogen-bonded Turntrans-60.3-20-172.861.70000115S481S481-S483 PolarHBondContact O-N 2.83Å
484D81.9Confident72.7Confident67 Ų6761.6 Ų61.636%0.35838%0.375SS..THydrogen-bonded Turntrans-98.12.217670.9-42.3000113.7V482 R733V482-D484 WeakPolarHBondContact CG1-OD1 3.18Å; V482-D484 PolarHBondContact O-N 3.02Å; V482-D484 VanDerWaalsContact O-N 3.08Å; D484-R733 WeakPolarHBondContact O-CD 3.34Å; D484-R733 PolarHBondContact O-NE 3Å; D484-R733 PolarHBondContact O-NH1 3.05Å; D484-R733 IonicContact OD1-NH1 2.82Å; D484-R733 PolarHBondContact OD1-NH1 2.8Å; D484-R733 WeakPolarHBondContact OD2-CD 3.27Å; D484-R733 IonicContact OD2-CZ 2.89Å; D484-R733 IonicContact OD2-NH1 3.4Å; D484-R733 PolarHBondContact OD2-NH1 2.9Å
485G83.9Confident75.3Confident8 Ų854.5 Ų54.58%0.08234%0.342CS..SBendtrans-87170.9-179.400000114V482 V487 P488V482-G485 PolarHBondContact O-N 2.78Å; G485-V487 PolarHBondContact O-N 2.95Å; G485-V487 VanDerWaalsContact O-N 3.1Å; G485-P488 WeakPolarHBondContact O-CD 3.28Å
486P87.3Confident77.9Confident6 Ų649.5 Ų49.54%0.03930%0.301CS..SBendtrans-62.9-15.717726.8-35.8000113.8F463 C496 V498 Y512 E514F463-P486 WeakPolarHBondContact CD1-O 3.36Å; P486-C496 HydrophobicContact CG-CB 3.83Å; P486-V498 HydrophobicContact CB-CB 4.21Å; P486-V498 HydrophobicContact CB-CG1 3.83Å; P486-Y512 HydrophobicContact CG-CD1 4.44Å; P486-Y512 HydrophobicContact CG-CE1 4.2Å; P486-E514 HydrophobicContact CG-CG 4.01Å
487V88.4Confident80.5Confident0 Ų045.7 Ų45.70%027%0.274CS..SBendtrans-133.279.1178.4-177.30000108.1H465 G485 W489 S490 C496H465-V487 HydrophobicContact CB-CG1 4.29Å; G485-V487 PolarHBondContact O-N 2.95Å; G485-V487 VanDerWaalsContact O-N 3.1Å; V487-W489 HydrophobicContact CB-CZ2 4.49Å; V487-W489 HydrophobicContact CG1-CD2 3.97Å; V487-W489 HydrophobicContact CG1-CG 4.37Å; V487-W489 HydrophobicContact CG1-CH2 4.19Å; V487-W489 HydrophobicContact CG1-CZ2 3.5Å; V487-W489 PolarHBondContact O-N 3.25Å; V487-S490 WeakPolarHBondContact O-CB 3.28Å; V487-S490 PolarHBondContact O-N 3.46Å; V487-S490 PolarHBondContact O-OG 3.44Å; V487-C496 HydrophobicContact CB-CB 4.16Å; V487-C496 HydrophobicContact CG2-CB 3.84Å
488P85.2Confident82.9Confident56 Ų5640.5 Ų40.536%0.36424%0.24SC..THydrogen-bonded Turntrans-56.7-15.7-167.3-32.738.1000118.3S481 V482 G485S481-P488 WeakPolarHBondContact CB-O 3.3Å; S481-P488 PolarHBondContact OG-O 2.77Å; V482-P488 WeakPolarHBondContact O-CA 3.02Å; G485-P488 WeakPolarHBondContact O-CD 3.28Å
489W82.9Confident85.3Confident60 Ų6034.3 Ų34.323%0.22720%0.2CC..THydrogen-bonded Turntrans-96.2-3.3178.156.390.6000113.9H465 V487 R658H465-W489 AromaticContact NE2-NE1 3.97Å; V487-W489 HydrophobicContact CB-CZ2 4.49Å; V487-W489 HydrophobicContact CG1-CD2 3.97Å; V487-W489 HydrophobicContact CG1-CG 4.37Å; V487-W489 HydrophobicContact CG1-CH2 4.19Å; V487-W489 HydrophobicContact CG1-CZ2 3.5Å; V487-W489 PolarHBondContact O-N 3.25Å; W489-R658 HydrophobicContact CH2-CG 4.05Å; W489-R658 VanDerWaalsContact CH2-CZ 3.43Å; W489-R658 VanDerWaalsContact CZ2-CD 3.45Å; W489-R658 HydrophobicContact CZ2-CG 3.45Å; W489-R658 VanDerWaalsContact CZ2-CG 3.45Å
490S86.4Confident87.3Confident3 Ų330.1 Ų30.12%0.02117%0.174CC..SBendtrans-77.6161.7-179.275.80000112.8S481 V482 V487 C496S481-S490 VanDerWaalsContact CA-O 3.31Å; S481-S490 WeakPolarHBondContact CA-O 3.39Å; S481-S490 WeakPolarHBondContact CB-O 3.16Å; V482-S490 PolarHBondContact N-O 2.96Å; V482-S490 VanDerWaalsContact N-O 3.16Å; V487-S490 WeakPolarHBondContact O-CB 3.28Å; V487-S490 PolarHBondContact O-N 3.46Å; V487-S490 PolarHBondContact O-OG 3.44Å; S490-C496 PolarHBondContact OG-SG 2.99Å
491S87.6Confident88.9Confident37 Ų3721.9 Ų21.926%0.25914%0.136SC..  trans-80.4156.2172.883.20000111.1N493 S494S491-N493 PolarHBondContact O-N 2.93Å; S491-N493 PolarHBondContact OG-N 3.48Å; S491-S494 PolarHBondContact N-OG 2.96Å; S491-S494 WeakPolarHBondContact O-CB 3.22Å; S491-S494 PolarHBondContact O-N 3.01Å; S491-S494 PolarHBondContact O-OG 2.66Å; S491-S494 PolarHBondContact OG-N 2.86Å; S491-S494 VanDerWaalsContact OG-N 3.11Å; S491-S494 PolarHBondContact OG-OG 2.88Å
492P85.1Confident90Very high32 Ų3219.1 Ų19.121%0.20812%0.116CC..THydrogen-bonded Turntrans-59.9-17.6171.9-24.233.9000114.6T479 E480 V482 R517T479-P492 HydrophobicContact CG2-CG 3.95Å; E480-P492 VanDerWaalsContact O-CD 3.28Å; E480-P492 WeakPolarHBondContact O-CD 3.47Å; E480-P492 WeakPolarHBondContact O-CG 3.36Å; V482-P492 HydrophobicContact CG2-CB 4.04Å; V482-P492 HydrophobicContact CG2-CG 3.83Å; P492-R517 WeakPolarHBondContact O-CB 3.42Å; P492-R517 PolarHBondContact O-N 2.83Å
493N88.8Confident90.8Very high15 Ų1520 Ų208%0.0812%0.123CC..THydrogen-bonded Turntrans-90.3-11174.5-175.637.3000113.3L468 N470 S491 R517L468-N493 WeakPolarHBondContact CD1-O 3.41Å; L468-N493 WeakPolarHBondContact CG-O 3.47Å; L468-N493 PolarHBondContact O-ND2 3.01Å; N470-N493 PolarHBondContact OD1-ND2 3.42Å; N470-N493 VanDerWaalsContact OD1-ND2 3.12Å; S491-N493 PolarHBondContact O-N 2.93Å; S491-N493 PolarHBondContact OG-N 3.48Å; N493-R517 VanDerWaalsContact CG-CZ 3.43Å; N493-R517 VanDerWaalsContact CG-NH2 3.3Å; N493-R517 PolarHBondContact OD1-NE 3.34Å; N493-R517 PolarHBondContact OD1-NH2 3.05Å
494S93.9Very high91.2Very high1 Ų117.1 Ų17.11%0.00710%0.099CC..EExtended strand (participates in β ladder)trans-72.8141.4179.7-520000109.6W466 D467 S491W466-S494 CarbonylContact O-C 3.37Å; W466-S494 WeakPolarHBondContact O-CA 3.39Å; W466-S494 WeakPolarHBondContact O-CB 3.43Å; D467-S494 WeakPolarHBondContact OD1-CB 2.97Å; D467-S494 PolarHBondContact OD1-OG 3.17Å; S491-S494 PolarHBondContact N-OG 2.96Å; S491-S494 WeakPolarHBondContact O-CB 3.22Å; S491-S494 PolarHBondContact O-N 3.01Å; S491-S494 PolarHBondContact O-OG 2.66Å; S491-S494 PolarHBondContact OG-N 2.86Å; S491-S494 VanDerWaalsContact OG-N 3.11Å; S491-S494 PolarHBondContact OG-OG 2.88Å
495V97.2Very high91.3Very high0 Ų021.6 Ų21.60%012%0.117CC..EExtended strand (participates in β ladder)trans-78.4123.4159.31730000106.6F411 P414 F417 V418 H465 W466 L468 E514 C515F411-V495 HydrophobicContact CD1-CG1 4.26Å; P414-V495 HydrophobicContact CB-CB 3.95Å; P414-V495 HydrophobicContact CB-CG1 4.35Å; P414-V495 HydrophobicContact CB-CG2 3.74Å; F417-V495 HydrophobicContact CD1-CG1 4.31Å; F417-V495 HydrophobicContact CD1-CG2 4.24Å; V418-V495 HydrophobicContact CG1-CG2 3.57Å; H465-V495 CarbonylContact C-O 3.47Å; H465-V495 WeakPolarHBondContact CA-O 3.48Å; H465-V495 WeakPolarHBondContact CB-O 3.35Å; W466-V495 HydrophobicContact CE3-CB 4.26Å; W466-V495 HydrophobicContact CE3-CG1 4.04Å; W466-V495 HydrophobicContact CZ3-CG1 4.39Å; W466-V495 PolarHBondContact N-O 3.07Å; W466-V495 PolarHBondContact O-N 3.15Å; L468-V495 HydrophobicContact CD1-CG2 4.33Å; L468-V495 HydrophobicContact CD2-CG2 4.26Å; L468-V495 HydrophobicContact CG-CG2 4.4Å; V495-E514 CarbonylContact C-O 3.54Å; V495-E514 VanDerWaalsContact CA-O 3.29Å; V495-E514 WeakPolarHBondContact CA-O 3.47Å; V495-C515 HydrophobicContact CG2-CB 4.07Å
496C97.9Very high91.4Very high4 Ų424.5 Ų24.53%0.02713%0.134CC..EExtended strand (participates in β ladder)trans-102.1147.9176.9-56.40000109.4P486 V487 S490 A513 E514P486-C496 HydrophobicContact CG-CB 3.83Å; V487-C496 HydrophobicContact CB-CB 4.16Å; V487-C496 HydrophobicContact CG2-CB 3.84Å; S490-C496 PolarHBondContact OG-SG 2.99Å; C496-A513 CarbonylContact O-C 3.58Å; C496-A513 WeakPolarHBondContact O-CA 3.35Å; C496-A513 VanDerWaalsContact O-CB 3.25Å; C496-A513 WeakPolarHBondContact O-CB 3.14Å; C496-E514 HydrophobicContact CB-CG 4.24Å; C496-E514 PolarHBondContact N-O 3.35Å; C496-E514 PolarHBondContact O-N 3.09Å
497F98.3Very high91.5Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-139.1141.9174.8172.9-75.6000110.4A408 F411 F462 C464 W466 A499 F511 Y512 A513A408-F497 HydrophobicContact CB-CD1 3.91Å; A408-F497 HydrophobicContact CB-CD2 4.44Å; A408-F497 HydrophobicContact CB-CE1 3.76Å; A408-F497 HydrophobicContact CB-CE2 4.28Å; A408-F497 HydrophobicContact CB-CG 4.28Å; A408-F497 HydrophobicContact CB-CZ 3.95Å; F411-F497 AromaticContact CD2-CD2 3.73Å; F411-F497 HydrophobicContact CD2-CD2 3.73Å; F411-F497 HydrophobicContact CD2-CE2 4.1Å; F411-F497 AromaticContact CE2-CD2 3.88Å; F411-F497 HydrophobicContact CE2-CD2 3.88Å; F411-F497 HydrophobicContact CE2-CE2 4.09Å; F462-F497 HydrophobicContact CD1-CD1 4.14Å; F462-F497 AromaticContact CD1-CE1 3.98Å; F462-F497 HydrophobicContact CD1-CE1 3.98Å; C464-F497 PolarHBondContact N-O 2.91Å; C464-F497 PolarHBondContact O-N 3.35Å; W466-F497 HydrophobicContact CH2-CB 4.02Å; W466-F497 HydrophobicContact CH2-CG 4.41Å; W466-F497 HydrophobicContact CZ3-CB 3.59Å; W466-F497 HydrophobicContact CZ3-CG 4.44Å; F497-A499 HydrophobicContact CE1-CB 3.75Å; F497-A499 HydrophobicContact CZ-CB 4.09Å; F497-F511 HydrophobicContact CE2-CB 4.07Å; F497-F511 AromaticContact CE2-CD2 3.65Å; F497-F511 HydrophobicContact CE2-CD2 3.65Å; F497-F511 HydrophobicContact CE2-CE2 4.48Å; F497-F511 HydrophobicContact CE2-CG 4.23Å; F497-F511 HydrophobicContact CZ-CB 3.78Å; F497-F511 HydrophobicContact CZ-CD2 4.03Å; F497-F511 HydrophobicContact CZ-CG 4.17Å; F497-Y512 CarbonylContact C-O 3.44Å; F497-Y512 WeakPolarHBondContact CA-O 3.23Å; F497-A513 HydrophobicContact CB-CB 4.29Å; F497-A513 HydrophobicContact CD2-CB 4.16Å
498V98.3Very high91.9Very high0 Ų025.6 Ų25.60%014%0.141CC..EExtended strand (participates in β ladder)trans-140.9144.5173.963.80000110.5F462 F463 P486 F511 Y512 L716 Y726F462-V498 CarbonylContact O-C 3.57Å; F462-V498 VanDerWaalsContact O-CA 3.26Å; F462-V498 WeakPolarHBondContact O-CA 3.3Å; F463-V498 HydrophobicContact CD1-CB 4.05Å; F463-V498 HydrophobicContact CD1-CG2 3.52Å; F463-V498 HydrophobicContact CE1-CB 4.25Å; F463-V498 HydrophobicContact CE1-CG2 3.35Å; F463-V498 HydrophobicContact CG-CG2 4.24Å; F463-V498 HydrophobicContact CZ-CG2 3.93Å; P486-V498 HydrophobicContact CB-CB 4.21Å; P486-V498 HydrophobicContact CB-CG1 3.83Å; V498-F511 CarbonylContact O-C 3.54Å; V498-F511 VanDerWaalsContact O-CA 3.3Å; V498-F511 WeakPolarHBondContact O-CA 3.17Å; V498-F511 WeakPolarHBondContact O-CB 3.22Å; V498-Y512 HydrophobicContact CG1-CD1 4.07Å; V498-Y512 PolarHBondContact N-O 3.35Å; V498-Y512 PolarHBondContact O-N 3.31Å; V498-L716 HydrophobicContact CG2-CD1 3.59Å; V498-Y726 HydrophobicContact CG1-CD2 4.15Å; V498-Y726 HydrophobicContact CG1-CE2 3.73Å
499A98.4Very high92.5Very high0 Ų023 Ų230%012%0.124CC..EExtended strand (participates in β ladder)trans-137.5152.1175.400000111.8L404 V461 F462 F497 A510 F511L404-A499 HydrophobicContact CB-CB 4.01Å; L404-A499 HydrophobicContact CD1-CB 4.34Å; L404-A499 HydrophobicContact CD2-CB 4.25Å; L404-A499 HydrophobicContact CG-CB 4.43Å; V461-A499 CarbonylContact C-O 3.59Å; V461-A499 WeakPolarHBondContact CA-O 3.24Å; F462-A499 PolarHBondContact N-O 3.17Å; F462-A499 PolarHBondContact O-N 3.26Å; F497-A499 HydrophobicContact CE1-CB 3.75Å; F497-A499 HydrophobicContact CZ-CB 4.09Å; A499-A510 CarbonylContact C-O 3.56Å; A499-A510 VanDerWaalsContact CA-O 3.27Å; A499-A510 WeakPolarHBondContact CA-O 3.46Å; A499-F511 HydrophobicContact CB-CB 3.72Å
500E98.4Very high93.2Very high0 Ų020.1 Ų20.10%011%0.113CC..EExtended strand (participates in β ladder)trans-136.2140172.8-175.8172.4-172.200110.6E460 V461 V502 A510 T714 R715 L716 F717E460-E500 CarbonylContact O-C 3.58Å; E460-E500 WeakPolarHBondContact O-CA 3.43Å; V461-E500 HydrophobicContact CG1-CB 4.05Å; V461-E500 HydrophobicContact CG1-CG 3.96Å; E500-V502 HydrophobicContact CB-CG1 4.09Å; E500-V502 HydrophobicContact CG-CG1 4.04Å; E500-V502 PolarHBondContact O-N 2.66Å; E500-V502 VanDerWaalsContact O-N 3.17Å; E500-A510 PolarHBondContact N-O 2.7Å; E500-A510 PolarHBondContact O-N 2.72Å; E500-T714 WeakPolarHBondContact OE1-CA 3.43Å; E500-R715 VanDerWaalsContact CD-N 3.34Å; E500-R715 PolarHBondContact OE1-N 3.26Å; E500-R715 PolarHBondContact OE2-N 2.64Å; E500-L716 HydrophobicContact CB-CD1 4.5Å; E500-L716 WeakPolarHBondContact OE2-CB 3.47Å; E500-L716 PolarHBondContact OE2-N 3.17Å; E500-F717 HydrophobicContact CB-CD2 3.71Å; E500-F717 HydrophobicContact CB-CE2 3.83Å
501Q97.9Very high93.8Very high1 Ų120 Ų201%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-82.187.3166.3-169.16920.800110L404 P456 I457 G459 E460 S503 I508 S509L404-Q501 HydrophobicContact CD1-CB 4.49Å; P456-Q501 HydrophobicContact CB-CB 3.83Å; P456-Q501 HydrophobicContact CB-CG 3.81Å; I457-Q501 VanDerWaalsContact O-CB 3.24Å; I457-Q501 WeakPolarHBondContact O-CB 3.39Å; G459-Q501 PolarHBondContact N-O 3.43Å; E460-Q501 HydrophobicContact CB-CB 4.29Å; E460-Q501 PolarHBondContact O-N 2.86Å; Q501-S503 PolarHBondContact NE2-O 3.23Å; Q501-I508 VanDerWaalsContact CD-O 3.3Å; Q501-I508 PolarHBondContact NE2-O 3.31Å; Q501-I508 VanDerWaalsContact NE2-O 3.09Å; Q501-S509 PolarHBondContact OE1-OG 3.2Å
502V96.8Very high94.3Very high5 Ų518.3 Ų18.33%0.0310%0.1CC..EExtended strand (participates in β ladder)trans-72.7-26.5-173-63.30000113.9E500 I508 A510 T714 F717 W724E500-V502 HydrophobicContact CB-CG1 4.09Å; E500-V502 HydrophobicContact CG-CG1 4.04Å; E500-V502 PolarHBondContact O-N 2.66Å; E500-V502 VanDerWaalsContact O-N 3.17Å; V502-I508 HydrophobicContact CG2-CB 3.84Å; V502-I508 HydrophobicContact CG2-CG2 3.7Å; V502-I508 WeakPolarHBondContact CG2-O 3.32Å; V502-I508 PolarHBondContact N-O 2.68Å; V502-I508 VanDerWaalsContact N-O 3.11Å; V502-A510 HydrophobicContact CG1-CB 3.64Å; V502-A510 HydrophobicContact CG2-CB 4.05Å; V502-T714 HydrophobicContact CB-CG2 3.78Å; V502-T714 HydrophobicContact CG1-CG2 3.82Å; V502-F717 HydrophobicContact CG1-CB 4.06Å; V502-F717 HydrophobicContact CG1-CD2 4.36Å; V502-F717 HydrophobicContact CG1-CG 4.42Å; V502-W724 HydrophobicContact CB-CD2 3.91Å; V502-W724 HydrophobicContact CB-CE3 3.67Å; V502-W724 HydrophobicContact CB-CH2 4.08Å; V502-W724 HydrophobicContact CB-CZ2 4.31Å; V502-W724 HydrophobicContact CB-CZ3 3.76Å; V502-W724 HydrophobicContact CG1-CD2 4.25Å; V502-W724 HydrophobicContact CG1-CE3 3.76Å; V502-W724 HydrophobicContact CG1-CZ3 4.13Å; V502-W724 HydrophobicContact CG2-CD2 3.54Å; V502-W724 HydrophobicContact CG2-CE3 3.87Å; V502-W724 HydrophobicContact CG2-CG 3.9Å; V502-W724 HydrophobicContact CG2-CH2 4.42Å; V502-W724 HydrophobicContact CG2-CZ2 4.16Å; V502-W724 HydrophobicContact CG2-CZ3 4.29Å
503S93.7Very high94.9Very high29 Ų2916.8 Ų16.820%0.2039%0.09CC..EExtended strand (participates in β ladder)trans-145.5154.7168.6-173.60000111.9Q501 P506 P507 I508Q501-S503 PolarHBondContact NE2-O 3.23Å; S503-P506 CarbonylContact C-O 3.55Å; S503-P506 WeakPolarHBondContact CB-O 3.49Å; S503-P506 PolarHBondContact OG-O 3.28Å; S503-P507 WeakPolarHBondContact O-CA 3.35Å; S503-I508 PolarHBondContact N-O 3.4Å; S503-I508 PolarHBondContact O-N 2.93Å
504H87.6Confident95.4Very high36 Ų3616 Ų1617%0.1679%0.086CC..EExtended strand (participates in β ladder)trans-110.9-25.6179.4-168.183.2000112.8N455 P456 L458 P506 P507 Q698N455-H504 PolarHBondContact ND2-CE1 3.39Å; P456-H504 PolarHBondContact O-ND1 3.31Å; P456-H504 VanDerWaalsContact O-ND1 3.16Å; L458-H504 HydrophobicContact CB-CB 4.23Å; L458-H504 HydrophobicContact CD1-CB 4.43Å; H504-P506 CarbonylContact C-O 3.45Å; H504-P506 PolarHBondContact N-O 3.25Å; H504-P506 CarbonylContact O-C 3.43Å; H504-P507 WeakPolarHBondContact O-CA 3.16Å; H504-Q698 PolarHBondContact CD2-NE2 2.73Å; H504-Q698 PolarHBondContact CE1-NE2 3.31Å; H504-Q698 PolarHBondContact CE1-OE1 2.66Å; H504-Q698 VanDerWaalsContact CG-NE2 3.25Å; H504-Q698 PolarHBondContact ND1-NE2 2.8Å; H504-Q698 VanDerWaalsContact ND1-NE2 3.2Å
505H83.1Confident95.5Very high161 Ų16116 Ų1675%0.7459%0.086SC*.THydrogen-bonded Turntrans-136.196.5176.4-67.2-19.3000109.9
506P85.9Confident95.4Very high68 Ų6817.7 Ų17.744%0.44210%0.096SC..THydrogen-bonded Turncis-65.2159-5.830-35.8000112.5S503 H504 I508S503-P506 CarbonylContact C-O 3.55Å; S503-P506 WeakPolarHBondContact CB-O 3.49Å; S503-P506 PolarHBondContact OG-O 3.28Å; H504-P506 CarbonylContact C-O 3.45Å; H504-P506 PolarHBondContact N-O 3.25Å; H504-P506 CarbonylContact O-C 3.43Å; P506-I508 HydrophobicContact CG-CD1 4.23Å; P506-I508 HydrophobicContact CG-CG1 4.08Å; P506-I508 PolarHBondContact O-N 2.82Å; P506-I508 VanDerWaalsContact O-N 3.08Å
507P90.4Very high95.1Very high19 Ų1924 Ų2412%0.12312%0.119CC..EExtended strand (participates in β ladder)trans-75.499.1178.329.7-33.4000110.3S503 H504 W527S503-P507 WeakPolarHBondContact O-CA 3.35Å; H504-P507 WeakPolarHBondContact O-CA 3.16Å; P507-W527 VanDerWaalsContact O-CA 3.26Å; P507-W527 WeakPolarHBondContact O-CA 3.37Å; P507-W527 VanDerWaalsContact O-CB 3.24Å; P507-W527 WeakPolarHBondContact O-CB 3.4Å
508I95.3Very high94.9Very high11 Ų1126.1 Ų26.16%0.05613%0.129CC..EExtended strand (participates in β ladder)trans-107.5123.4178-43.6176.6000109.4Q501 V502 S503 P506 H525 W527Q501-I508 VanDerWaalsContact CD-O 3.3Å; Q501-I508 PolarHBondContact NE2-O 3.31Å; Q501-I508 VanDerWaalsContact NE2-O 3.09Å; V502-I508 HydrophobicContact CG2-CB 3.84Å; V502-I508 HydrophobicContact CG2-CG2 3.7Å; V502-I508 WeakPolarHBondContact CG2-O 3.32Å; V502-I508 PolarHBondContact N-O 2.68Å; V502-I508 VanDerWaalsContact N-O 3.11Å; S503-I508 PolarHBondContact N-O 3.4Å; S503-I508 PolarHBondContact O-N 2.93Å; P506-I508 HydrophobicContact CG-CD1 4.23Å; P506-I508 HydrophobicContact CG-CG1 4.08Å; P506-I508 PolarHBondContact O-N 2.82Å; P506-I508 VanDerWaalsContact O-N 3.08Å; I508-H525 HydrophobicContact CG2-CB 4.45Å; I508-W527 HydrophobicContact CB-CB 4.32Å; I508-W527 HydrophobicContact CD1-CE3 3.8Å; I508-W527 HydrophobicContact CD1-CZ3 4.25Å; I508-W527 HydrophobicContact CG1-CB 3.95Å; I508-W527 HydrophobicContact CG1-CD2 4.5Å; I508-W527 HydrophobicContact CG1-CE3 3.86Å; I508-W527 HydrophobicContact CG2-CB 4.47Å
509S97.8Very high94.8Very high1 Ų130 Ų301%0.00715%0.146CC..EExtended strand (participates in β ladder)trans-105.5125.8168.9-49.90000109.4Q501 H525 I526Q501-S509 PolarHBondContact OE1-OG 3.2Å; S509-H525 CarbonylContact O-C 3.47Å; S509-H525 VanDerWaalsContact O-CA 3.3Å; S509-H525 WeakPolarHBondContact O-CA 3.43Å; S509-I526 PolarHBondContact N-O 3.34Å; S509-I526 PolarHBondContact O-N 3.02Å
510A98.4Very high94.8Very high0 Ų030 Ų300%015%0.146CC..EExtended strand (participates in β ladder)trans-103.1144.3170.300000109.8A499 E500 V502 A524 F717 W724A499-A510 CarbonylContact C-O 3.56Å; A499-A510 VanDerWaalsContact CA-O 3.27Å; A499-A510 WeakPolarHBondContact CA-O 3.46Å; E500-A510 PolarHBondContact N-O 2.7Å; E500-A510 PolarHBondContact O-N 2.72Å; V502-A510 HydrophobicContact CG1-CB 3.64Å; V502-A510 HydrophobicContact CG2-CB 4.05Å; A510-A524 WeakPolarHBondContact CA-O 3.35Å; A510-F717 HydrophobicContact CB-CB 4.3Å; A510-F717 HydrophobicContact CB-CD1 3.61Å; A510-F717 HydrophobicContact CB-CD2 4Å; A510-F717 HydrophobicContact CB-CE1 3.86Å; A510-F717 HydrophobicContact CB-CE2 4.25Å; A510-F717 HydrophobicContact CB-CG 3.72Å; A510-F717 HydrophobicContact CB-CZ 4.2Å; A510-W724 HydrophobicContact CB-CB 3.74Å; A510-W724 HydrophobicContact CB-CG 4.41Å
511F98.4Very high94.8Very high0 Ų030.7 Ų30.70%015%0.149CC..EExtended strand (participates in β ladder)trans-149.8153.9178.856-80.1000113.2Y407 F410 F497 V498 A499 F522 A524 I526 F560Y407-F511 HydrophobicContact CD1-CE1 4.25Å; Y407-F511 HydrophobicContact CD1-CZ 4.24Å; Y407-F511 HydrophobicContact CD2-CD1 4.21Å; Y407-F511 HydrophobicContact CD2-CE1 4.07Å; Y407-F511 HydrophobicContact CE2-CE1 4.49Å; Y407-F511 HydrophobicContact CG-CD1 4.32Å; Y407-F511 AromaticContact CG-CE1 3.94Å; Y407-F511 HydrophobicContact CG-CE1 3.94Å; Y407-F511 HydrophobicContact CG-CZ 4.18Å; F410-F511 HydrophobicContact CD2-CE2 4.01Å; F410-F511 HydrophobicContact CD2-CZ 4.15Å; F410-F511 HydrophobicContact CE2-CE2 4.31Å; F410-F511 AromaticContact CE2-CZ 3.97Å; F410-F511 HydrophobicContact CE2-CZ 3.97Å; F497-F511 HydrophobicContact CE2-CB 4.07Å; F497-F511 AromaticContact CE2-CD2 3.65Å; F497-F511 HydrophobicContact CE2-CD2 3.65Å; F497-F511 HydrophobicContact CE2-CE2 4.48Å; F497-F511 HydrophobicContact CE2-CG 4.23Å; F497-F511 HydrophobicContact CZ-CB 3.78Å; F497-F511 HydrophobicContact CZ-CD2 4.03Å; F497-F511 HydrophobicContact CZ-CG 4.17Å; V498-F511 CarbonylContact O-C 3.54Å; V498-F511 VanDerWaalsContact O-CA 3.3Å; V498-F511 WeakPolarHBondContact O-CA 3.17Å; V498-F511 WeakPolarHBondContact O-CB 3.22Å; A499-F511 HydrophobicContact CB-CB 3.72Å; F511-F522 AromaticContact CD2-CE1 3.96Å; F511-F522 HydrophobicContact CD2-CE1 3.96Å; F511-F522 AromaticContact CE2-CE1 3.64Å; F511-F522 HydrophobicContact CE2-CE1 3.64Å; F511-F522 HydrophobicContact CE2-CZ 4.36Å; F511-A524 HydrophobicContact CD1-CB 4.38Å; F511-A524 HydrophobicContact CD2-CB 4.19Å; F511-A524 HydrophobicContact CE1-CB 3.99Å; F511-A524 HydrophobicContact CE2-CB 3.82Å; F511-A524 HydrophobicContact CG-CB 4.46Å; F511-A524 HydrophobicContact CZ-CB 3.7Å; F511-A524 PolarHBondContact N-O 2.63Å; F511-A524 PolarHBondContact O-N 3.32Å; F511-A524 VanDerWaalsContact O-O 3.12Å; F511-I526 HydrophobicContact CE1-CD1 3.86Å; F511-I526 HydrophobicContact CE1-CG1 3.97Å; F511-I526 HydrophobicContact CZ-CD1 3.81Å; F511-I526 HydrophobicContact CZ-CG1 4.29Å; F511-F560 HydrophobicContact CZ-CZ 4.3Å
512Y98.8Very high94.8Very high1 Ų130.7 Ų30.70%0.00415%0.149CC..EExtended strand (participates in β ladder)trans-144143.9-173.6173.2-93.5000110.3P486 F497 V498 E514 Q521 F522 N523 Y726 P729 L730P486-Y512 HydrophobicContact CG-CD1 4.44Å; P486-Y512 HydrophobicContact CG-CE1 4.2Å; F497-Y512 CarbonylContact C-O 3.44Å; F497-Y512 WeakPolarHBondContact CA-O 3.23Å; V498-Y512 HydrophobicContact CG1-CD1 4.07Å; V498-Y512 PolarHBondContact N-O 3.35Å; V498-Y512 PolarHBondContact O-N 3.31Å; Y512-E514 HydrophobicContact CE1-CB 4.04Å; Y512-E514 HydrophobicContact CE1-CG 3.9Å; Y512-E514 WeakPolarHBondContact CE1-OE2 3.17Å; Y512-E514 VanDerWaalsContact CZ-OE2 3.31Å; Y512-E514 PolarHBondContact OH-OE2 3.38Å; Y512-Q521 HydrophobicContact CE2-CB 3.99Å; Y512-F522 CarbonylContact C-O 3.57Å; Y512-F522 VanDerWaalsContact CA-O 3.23Å; Y512-F522 WeakPolarHBondContact CA-O 3.49Å; Y512-F522 WeakPolarHBondContact CD2-O 3.28Å; Y512-N523 HydrophobicContact CD2-CB 4.18Å; Y512-Y726 AromaticContact CD1-CD1 3.56Å; Y512-Y726 HydrophobicContact CD1-CD1 3.56Å; Y512-Y726 HydrophobicContact CD1-CD2 4.38Å; Y512-Y726 AromaticContact CD1-CE1 3.82Å; Y512-Y726 HydrophobicContact CD1-CE1 3.82Å; Y512-Y726 AromaticContact CD1-CG 3.89Å; Y512-Y726 HydrophobicContact CD1-CG 3.89Å; Y512-Y726 AromaticContact CD2-CD1 3.95Å; Y512-Y726 HydrophobicContact CD2-CD1 3.95Å; Y512-Y726 HydrophobicContact CD2-CG 4Å; Y512-Y726 AromaticContact CE1-CD1 3.69Å; Y512-Y726 HydrophobicContact CE1-CD1 3.69Å; Y512-Y726 AromaticContact CE1-CE1 3.81Å; Y512-Y726 HydrophobicContact CE1-CE1 3.81Å; Y512-Y726 HydrophobicContact CE1-CG 4.45Å; Y512-Y726 HydrophobicContact CE2-CD1 4.06Å; Y512-Y726 AromaticContact CG-CD1 3.7Å; Y512-Y726 HydrophobicContact CG-CD1 3.7Å; Y512-Y726 HydrophobicContact CG-CD2 4.28Å; Y512-Y726 HydrophobicContact CG-CE1 4.41Å; Y512-Y726 AromaticContact CG-CG 3.64Å; Y512-Y726 HydrophobicContact CG-CG 3.64Å; Y512-Y726 AromaticContact CZ-CD1 3.95Å; Y512-P729 HydrophobicContact CE2-CB 3.95Å; Y512-L730 PolarHBondContact OH-N 3.28Å
513A98.5Very high94.9Very high0 Ų031.5 Ų31.50%015%0.153CC..EExtended strand (participates in β ladder)trans-143.2154.9175.700000112F411 C496 F497 Q521 F522F411-A513 HydrophobicContact CD1-CB 4.32Å; F411-A513 HydrophobicContact CD2-CB 4.43Å; F411-A513 HydrophobicContact CE1-CB 3.78Å; F411-A513 HydrophobicContact CE2-CB 3.91Å; F411-A513 HydrophobicContact CZ-CB 3.56Å; C496-A513 CarbonylContact O-C 3.58Å; C496-A513 WeakPolarHBondContact O-CA 3.35Å; C496-A513 VanDerWaalsContact O-CB 3.25Å; C496-A513 WeakPolarHBondContact O-CB 3.14Å; F497-A513 HydrophobicContact CB-CB 4.29Å; F497-A513 HydrophobicContact CD2-CB 4.16Å; A513-Q521 CarbonylContact O-C 3.56Å; A513-Q521 VanDerWaalsContact O-CA 3.31Å; A513-Q521 WeakPolarHBondContact O-CA 3.2Å; A513-F522 HydrophobicContact CB-CB 4.39Å; A513-F522 PolarHBondContact N-O 2.89Å; A513-F522 PolarHBondContact O-N 3Å
514E97.8Very high95.1Very high0 Ų030.1 Ų30.10%014%0.144CC..EExtended strand (participates in β ladder)trans-156.3161.5-179.961.7170.6-117.400113.9P486 V495 C496 Y512 V516 I520 Q521 L730 R733P486-E514 HydrophobicContact CG-CG 4.01Å; V495-E514 CarbonylContact C-O 3.54Å; V495-E514 VanDerWaalsContact CA-O 3.29Å; V495-E514 WeakPolarHBondContact CA-O 3.47Å; C496-E514 HydrophobicContact CB-CG 4.24Å; C496-E514 PolarHBondContact N-O 3.35Å; C496-E514 PolarHBondContact O-N 3.09Å; Y512-E514 HydrophobicContact CE1-CB 4.04Å; Y512-E514 HydrophobicContact CE1-CG 3.9Å; Y512-E514 WeakPolarHBondContact CE1-OE2 3.17Å; Y512-E514 VanDerWaalsContact CZ-OE2 3.31Å; Y512-E514 PolarHBondContact OH-OE2 3.38Å; E514-V516 WeakPolarHBondContact OE1-CG2 3.32Å; E514-I520 WeakPolarHBondContact CA-O 3.46Å; E514-Q521 HydrophobicContact CB-CB 4.27Å; E514-L730 HydrophobicContact CB-CD2 4.39Å; E514-R733 IonicContact OE1-CZ 2.77Å; E514-R733 IonicContact OE1-NH2 2.76Å; E514-R733 PolarHBondContact OE1-NH2 3.06Å; E514-R733 IonicContact OE2-CZ 3.72Å; E514-R733 IonicContact OE2-NH2 3.7Å; E514-R733 PolarHBondContact OE2-NH2 2.91Å
515C96.8Very high95.6Very high1 Ų128.9 Ų28.91%0.00714%0.138CC..EExtended strand (participates in β ladder)trans-136.2113.9161.2178.70000109.5V418 V495 K518 K519 I520V418-C515 HydrophobicContact CG1-CB 3.59Å; V495-C515 HydrophobicContact CG2-CB 4.07Å; C515-K518 HydrophobicContact CB-CB 4.25Å; C515-K518 CarbonylContact O-C 3.57Å; C515-K518 PolarHBondContact O-N 3.05Å; C515-K519 PolarHBondContact O-N 2.87Å; C515-I520 HydrophobicContact CB-CG2 4.08Å; C515-I520 PolarHBondContact N-O 2.97Å; C515-I520 PolarHBondContact O-N 3.22Å
516V94.3Very high96.3Very high34 Ų3421.3 Ų21.321%0.20610%0.103CC..THydrogen-bonded Turntrans-61-48.4-175.4-176.60000111.7V482 E514 K518 K519 L730V482-V516 HydrophobicContact CB-CG2 4.46Å; V482-V516 HydrophobicContact CG1-CG2 3.74Å; V482-V516 HydrophobicContact CG2-CB 4.46Å; V482-V516 HydrophobicContact CG2-CG2 3.9Å; E514-V516 WeakPolarHBondContact OE1-CG2 3.32Å; V516-K518 PolarHBondContact O-N 2.92Å; V516-K519 WeakPolarHBondContact O-CG 3.3Å; V516-K519 PolarHBondContact O-N 3.48Å; V516-K519 VanDerWaalsContact O-N 3.09Å; V516-L730 HydrophobicContact CB-CD1 4.43Å; V516-L730 HydrophobicContact CG1-CD1 4.29Å; V516-L730 HydrophobicContact CG2-CD1 3.99Å
517R92.4Very high96.6Very high136 Ų13622.3 Ų22.351%0.51310%0.098SC..THydrogen-bonded Turntrans-58.8-31.4-179-176.2171.681.1143.35.7113P492 N493P492-R517 WeakPolarHBondContact O-CB 3.42Å; P492-R517 PolarHBondContact O-N 2.83Å; N493-R517 VanDerWaalsContact CG-CZ 3.43Å; N493-R517 VanDerWaalsContact CG-NH2 3.3Å; N493-R517 PolarHBondContact OD1-NE 3.34Å; N493-R517 PolarHBondContact OD1-NH2 3.05Å
518K94.8Very high96.5Very high46 Ų4622.7 Ų22.720%0.210%0.1CC..THydrogen-bonded Turntrans-100.70.4-178-67.6-90175.7174.30113V418 A421 D422 C515 V516 I520V418-K518 HydrophobicContact CB-CB 3.98Å; V418-K518 HydrophobicContact CB-CD 4.13Å; V418-K518 HydrophobicContact CB-CG 3.79Å; V418-K518 HydrophobicContact CG1-CB 4.27Å; V418-K518 HydrophobicContact CG1-CG 4.28Å; V418-K518 HydrophobicContact CG2-CD 4.28Å; V418-K518 HydrophobicContact CG2-CG 4.19Å; A421-K518 WeakPolarHBondContact CB-O 3.14Å; D422-K518 IonicContact OD1-NZ 3.72Å; D422-K518 PolarHBondContact OD1-NZ 2.85Å; D422-K518 IonicContact OD2-NZ 3.88Å; D422-K518 PolarHBondContact OD2-NZ 3.45Å; C515-K518 HydrophobicContact CB-CB 4.25Å; C515-K518 CarbonylContact O-C 3.57Å; C515-K518 PolarHBondContact O-N 3.05Å; V516-K518 PolarHBondContact O-N 2.92Å; K518-I520 HydrophobicContact CB-CG2 3.99Å; K518-I520 PolarHBondContact O-N 3.17Å; K518-I520 VanDerWaalsContact O-N 3.14Å
519K96.1Very high96.1Very high80 Ų8027.4 Ų27.435%0.34812%0.12SC..THydrogen-bonded Turntrans44.547.1178.4-56.7178.1-160.2152.90112.4C515 V516 L550 E551 L734C515-K519 PolarHBondContact O-N 2.87Å; V516-K519 WeakPolarHBondContact O-CG 3.3Å; V516-K519 PolarHBondContact O-N 3.48Å; V516-K519 VanDerWaalsContact O-N 3.09Å; K519-L550 HydrophobicContact CB-CB 4.31Å; K519-L550 VanDerWaalsContact O-CB 3.22Å; K519-L550 WeakPolarHBondContact O-CB 3.45Å; K519-L550 VanDerWaalsContact O-CG 3.28Å; K519-L550 WeakPolarHBondContact O-CG 3.33Å; K519-L550 PolarHBondContact O-N 3Å; K519-E551 HydrophobicContact CB-CG 4.09Å; K519-E551 HydrophobicContact CD-CG 3.84Å; K519-E551 WeakPolarHBondContact CD-OE1 3.28Å; K519-E551 WeakPolarHBondContact CE-OE1 3.37Å; K519-E551 IonicContact NZ-OE1 2.67Å; K519-E551 PolarHBondContact NZ-OE1 3.44Å; K519-L734 HydrophobicContact CG-CD1 4.22Å
520I98Very high95.5Very high0 Ų028.3 Ų28.30%013%0.126CC..EExtended strand (participates in β ladder)trans-124.9136.5179-169.1175.7000108.7F417 V418 I420 A421 E514 C515 K518 V547 S548F417-I520 HydrophobicContact CD1-CG2 4.48Å; F417-I520 HydrophobicContact CD2-CD1 4.22Å; F417-I520 HydrophobicContact CE1-CD1 4.37Å; F417-I520 HydrophobicContact CE1-CG1 4.35Å; F417-I520 HydrophobicContact CE1-CG2 3.91Å; F417-I520 HydrophobicContact CE2-CD1 3.88Å; F417-I520 HydrophobicContact CE2-CG1 4.17Å; F417-I520 HydrophobicContact CZ-CD1 3.96Å; F417-I520 HydrophobicContact CZ-CG1 3.84Å; F417-I520 HydrophobicContact CZ-CG2 4.25Å; F417-I520 WeakPolarHBondContact O-CD1 3.3Å; V418-I520 HydrophobicContact CB-CG2 4.42Å; V418-I520 HydrophobicContact CG1-CG2 4.07Å; I420-I520 HydrophobicContact CB-CD1 4.01Å; I420-I520 HydrophobicContact CD1-CD1 4.43Å; A421-I520 HydrophobicContact CB-CB 4.29Å; A421-I520 HydrophobicContact CB-CD1 4.41Å; E514-I520 WeakPolarHBondContact CA-O 3.46Å; C515-I520 HydrophobicContact CB-CG2 4.08Å; C515-I520 PolarHBondContact N-O 2.97Å; C515-I520 PolarHBondContact O-N 3.22Å; K518-I520 HydrophobicContact CB-CG2 3.99Å; K518-I520 PolarHBondContact O-N 3.17Å; K518-I520 VanDerWaalsContact O-N 3.14Å; I520-V547 HydrophobicContact CD1-CG1 3.97Å; I520-V547 HydrophobicContact CG1-CG1 4.22Å; I520-S548 WeakPolarHBondContact CA-O 3.28Å
521Q98.3Very high94.8Very high15 Ų1531.6 Ų31.67%0.0714%0.14CC..EExtended strand (participates in β ladder)trans-133.216017665176.644.100110.1Y512 A513 E514 S548 L550 L730Y512-Q521 HydrophobicContact CE2-CB 3.99Å; A513-Q521 CarbonylContact O-C 3.56Å; A513-Q521 VanDerWaalsContact O-CA 3.31Å; A513-Q521 WeakPolarHBondContact O-CA 3.2Å; E514-Q521 HydrophobicContact CB-CB 4.27Å; Q521-S548 PolarHBondContact N-O 3.11Å; Q521-S548 VanDerWaalsContact N-O 3.1Å; Q521-S548 PolarHBondContact O-N 3.11Å; Q521-L550 HydrophobicContact CG-CD1 4.43Å; Q521-L550 HydrophobicContact CG-CD2 4.1Å; Q521-L550 HydrophobicContact CG-CG 4.47Å; Q521-L730 HydrophobicContact CB-CB 4.31Å; Q521-L730 VanDerWaalsContact OE1-N 3.17Å
522F98.7Very high94.1Very high2 Ų232.1 Ų32.11%0.00914%0.143CC..EExtended strand (participates in β ladder)trans-138133.2175.1176.5-94.1000109.1F411 F417 W436 F511 Y512 A513 A524 C546 V547 L558 F560F411-F522 HydrophobicContact CE1-CB 4.49Å; F411-F522 HydrophobicContact CE2-CD1 4.13Å; F411-F522 HydrophobicContact CE2-CE1 4.38Å; F411-F522 HydrophobicContact CZ-CB 4.03Å; F411-F522 AromaticContact CZ-CD1 3.61Å; F411-F522 HydrophobicContact CZ-CD1 3.61Å; F411-F522 HydrophobicContact CZ-CE1 4.17Å; F411-F522 AromaticContact CZ-CG 3.83Å; F411-F522 HydrophobicContact CZ-CG 3.83Å; F417-F522 HydrophobicContact CE2-CB 3.98Å; F417-F522 HydrophobicContact CZ-CB 3.87Å; W436-F522 AromaticContact CH2-CD2 3.96Å; W436-F522 HydrophobicContact CH2-CD2 3.96Å; W436-F522 AromaticContact CH2-CE2 3.83Å; W436-F522 HydrophobicContact CH2-CE2 3.83Å; W436-F522 HydrophobicContact CH2-CZ 4.35Å; W436-F522 HydrophobicContact CZ3-CD2 4.46Å; W436-F522 HydrophobicContact CZ3-CE2 4.34Å; F511-F522 AromaticContact CD2-CE1 3.96Å; F511-F522 HydrophobicContact CD2-CE1 3.96Å; F511-F522 AromaticContact CE2-CE1 3.64Å; F511-F522 HydrophobicContact CE2-CE1 3.64Å; F511-F522 HydrophobicContact CE2-CZ 4.36Å; Y512-F522 CarbonylContact C-O 3.57Å; Y512-F522 VanDerWaalsContact CA-O 3.23Å; Y512-F522 WeakPolarHBondContact CA-O 3.49Å; Y512-F522 WeakPolarHBondContact CD2-O 3.28Å; A513-F522 HydrophobicContact CB-CB 4.39Å; A513-F522 PolarHBondContact N-O 2.89Å; A513-F522 PolarHBondContact O-N 3Å; F522-A524 HydrophobicContact CD1-CB 4.43Å; F522-A524 HydrophobicContact CE1-CB 3.43Å; F522-A524 VanDerWaalsContact CE1-CB 3.43Å; F522-A524 HydrophobicContact CZ-CB 3.59Å; F522-C546 VanDerWaalsContact CA-O 3.29Å; F522-C546 WeakPolarHBondContact CA-O 3.23Å; F522-V547 HydrophobicContact CD2-CB 4.48Å; F522-V547 HydrophobicContact CD2-CG2 3.71Å; F522-V547 HydrophobicContact CE2-CG2 4.2Å; F522-L558 HydrophobicContact CE2-CD1 4.38Å; F522-L558 HydrophobicContact CE2-CD2 4.3Å; F522-F560 HydrophobicContact CZ-CZ 4.48Å
523N98.5Very high93Very high22 Ų2232.2 Ų32.212%0.11814%0.143CC..EExtended strand (participates in β ladder)trans-126.1141.5170.2163.3-101000108.5Y512 G545 C546 W724Y512-N523 HydrophobicContact CD2-CB 4.18Å; N523-G545 CarbonylContact O-C 3.53Å; N523-G545 VanDerWaalsContact O-CA 3.32Å; N523-G545 WeakPolarHBondContact O-CA 3.47Å; N523-C546 PolarHBondContact N-O 2.97Å; N523-C546 PolarHBondContact O-N 3.07Å; N523-W724 PolarHBondContact ND2-O 3.27Å; N523-W724 PolarHBondContact OD1-O 3Å
524A98.3Very high91.8Very high0 Ų032.3 Ų32.30%015%0.145CC..EExtended strand (participates in β ladder)trans-151.7163.1173.600000112.4A510 F511 F522 Q544 F560A510-A524 WeakPolarHBondContact CA-O 3.35Å; F511-A524 HydrophobicContact CD1-CB 4.38Å; F511-A524 HydrophobicContact CD2-CB 4.19Å; F511-A524 HydrophobicContact CE1-CB 3.99Å; F511-A524 HydrophobicContact CE2-CB 3.82Å; F511-A524 HydrophobicContact CG-CB 4.46Å; F511-A524 HydrophobicContact CZ-CB 3.7Å; F511-A524 PolarHBondContact N-O 2.63Å; F511-A524 PolarHBondContact O-N 3.32Å; F511-A524 VanDerWaalsContact O-O 3.12Å; F522-A524 HydrophobicContact CD1-CB 4.43Å; F522-A524 HydrophobicContact CE1-CB 3.43Å; F522-A524 VanDerWaalsContact CE1-CB 3.43Å; F522-A524 HydrophobicContact CZ-CB 3.59Å; A524-Q544 VanDerWaalsContact CA-O 3.24Å; A524-Q544 WeakPolarHBondContact CA-O 3.42Å; A524-Q544 WeakPolarHBondContact CB-O 3.23Å; A524-F560 HydrophobicContact CB-CZ 4.07Å
525H97.8Very high90.6Very high10 Ų1034 Ų345%0.04615%0.153CC..EExtended strand (participates in β ladder)trans-138148.2161.660.1-85.9000109.5I508 S509 G543 Q544 W724I508-H525 HydrophobicContact CG2-CB 4.45Å; S509-H525 CarbonylContact O-C 3.47Å; S509-H525 VanDerWaalsContact O-CA 3.3Å; S509-H525 WeakPolarHBondContact O-CA 3.43Å; H525-G543 WeakPolarHBondContact NE2-CA 3.47Å; H525-G543 WeakPolarHBondContact O-CA 3.38Å; H525-Q544 PolarHBondContact N-O 3.49Å; H525-Q544 VanDerWaalsContact N-O 3.13Å; H525-Q544 PolarHBondContact O-N 3.29Å; H525-W724 HydrophobicContact CB-CB 4.09Å
526I96.3Very high89.9Confident2 Ų234.4 Ų34.41%0.0116%0.156CC..EExtended strand (participates in β ladder)trans-136.5132.1172.4-60.7172.7000108.1Y407 F410 S509 F511 T528 N541 I542 F560Y407-I526 HydrophobicContact CD1-CD1 4.06Å; Y407-I526 HydrophobicContact CE1-CB 4.5Å; Y407-I526 HydrophobicContact CE1-CD1 3.52Å; Y407-I526 WeakPolarHBondContact OH-CG2 3.41Å; F410-I526 HydrophobicContact CE2-CD1 4.2Å; S509-I526 PolarHBondContact N-O 3.34Å; S509-I526 PolarHBondContact O-N 3.02Å; F511-I526 HydrophobicContact CE1-CD1 3.86Å; F511-I526 HydrophobicContact CE1-CG1 3.97Å; F511-I526 HydrophobicContact CZ-CD1 3.81Å; F511-I526 HydrophobicContact CZ-CG1 4.29Å; I526-T528 HydrophobicContact CG2-CG2 4.38Å; I526-N541 HydrophobicContact CG2-CB 4.11Å; I526-I542 CarbonylContact C-O 3.5Å; I526-I542 WeakPolarHBondContact CA-O 3.37Å; I526-F560 HydrophobicContact CD1-CD1 3.95Å; I526-F560 HydrophobicContact CD1-CD2 3.63Å; I526-F560 HydrophobicContact CD1-CE1 3.98Å; I526-F560 HydrophobicContact CD1-CE2 3.66Å; I526-F560 HydrophobicContact CD1-CG 3.78Å; I526-F560 HydrophobicContact CD1-CZ 3.83Å; I526-F560 HydrophobicContact CG1-CD2 3.58Å; I526-F560 HydrophobicContact CG1-CE2 3.48Å; I526-F560 VanDerWaalsContact CG1-CE2 3.48Å; I526-F560 HydrophobicContact CG1-CG 4.24Å; I526-F560 HydrophobicContact CG1-CZ 4.08Å
527W92.3Very high89.5Confident89 Ų8934.4 Ų34.434%0.33715%0.154SC..EExtended strand (participates in β ladder)trans-113151.8156.97557.4000110.6P507 I508 I542P507-W527 VanDerWaalsContact O-CA 3.26Å; P507-W527 WeakPolarHBondContact O-CA 3.37Å; P507-W527 VanDerWaalsContact O-CB 3.24Å; P507-W527 WeakPolarHBondContact O-CB 3.4Å; I508-W527 HydrophobicContact CB-CB 4.32Å; I508-W527 HydrophobicContact CD1-CE3 3.8Å; I508-W527 HydrophobicContact CD1-CZ3 4.25Å; I508-W527 HydrophobicContact CG1-CB 3.95Å; I508-W527 HydrophobicContact CG1-CD2 4.5Å; I508-W527 HydrophobicContact CG1-CE3 3.86Å; I508-W527 HydrophobicContact CG2-CB 4.47Å; W527-I542 HydrophobicContact CG-CB 4.44Å; W527-I542 HydrophobicContact CZ2-CG2 4.02Å; W527-I542 PolarHBondContact N-O 3.02Å; W527-I542 PolarHBondContact O-N 3.18Å
528T89.7Confident89.3Confident26 Ų2628 Ų2816%0.1613%0.13CC..EExtended strand (participates in β ladder)trans-113.8134.4-17666.60000111.6I526 V539 H540I526-T528 HydrophobicContact CG2-CG2 4.38Å; T528-V539 HydrophobicContact CG2-CG1 4.2Å; T528-H540 WeakPolarHBondContact CA-O 3.47Å
529K85.8Confident89.1Confident110 Ų11027.4 Ų27.448%0.47813%0.131SC..EExtended strand (participates in β ladder)trans-114.7111169.9-170.7166.1-172.1167.10110.4H540 I542K529-H540 HydrophobicContact CB-CB 4.45Å; K529-H540 PolarHBondContact N-O 2.79Å; K529-H540 PolarHBondContact O-N 3.44Å; K529-I542 HydrophobicContact CB-CD1 4.46Å
530S86.4Confident88.9Confident20 Ų2025.4 Ų25.414%0.1412%0.122CC..EExtended strand (participates in β ladder)trans-90.3140.3-179.4-58.70000111.8D387 G538D387-S530 WeakPolarHBondContact CA-O 3.31Å; S530-G538 CarbonylContact C-O 3.57Å; S530-G538 WeakPolarHBondContact CA-O 3.38Å
531K83.5Confident88.7Confident69 Ų6927.2 Ų27.230%0.313%0.132SC..EExtended strand (participates in β ladder)trans-130.1137.8172.6-67.2174.4-178.2165.30110.2L533 G538 H540K531-L533 HydrophobicContact CB-CD2 4.23Å; K531-G538 PolarHBondContact N-O 3.45Å; K531-G538 PolarHBondContact O-N 3.07Å; K531-H540 PolarHBondContact NZ-NE2 2.84Å
532F82.4Confident88.4Confident12 Ų1229.8 Ų29.85%0.05315%0.145CC..EExtended strand (participates in β ladder)trans-76.7123167.5-174.1-115.5000111.3L379 V382 R383 G385 M386 L388 G534 I568L379-F532 HydrophobicContact CD2-CD2 4.34Å; L379-F532 HydrophobicContact CD2-CE2 3.47Å; L379-F532 VanDerWaalsContact CD2-CE2 3.47Å; L379-F532 HydrophobicContact CD2-CZ 3.91Å; V382-F532 HydrophobicContact CB-CD1 4.28Å; V382-F532 HydrophobicContact CB-CG 4.33Å; V382-F532 HydrophobicContact CG2-CD1 3.6Å; V382-F532 HydrophobicContact CG2-CD2 3.88Å; V382-F532 HydrophobicContact CG2-CE1 3.48Å; V382-F532 VanDerWaalsContact CG2-CE1 3.48Å; V382-F532 HydrophobicContact CG2-CE2 3.79Å; V382-F532 HydrophobicContact CG2-CG 3.78Å; V382-F532 HydrophobicContact CG2-CZ 3.57Å; R383-F532 WeakPolarHBondContact O-CD1 3.18Å; G385-F532 PolarHBondContact N-O 2.95Å; M386-F532 PolarHBondContact O-N 2.7Å; L388-F532 HydrophobicContact CD1-CB 4.05Å; L388-F532 HydrophobicContact CD1-CD2 4.25Å; L388-F532 HydrophobicContact CD2-CB 4.09Å; L388-F532 HydrophobicContact CG-CB 4.12Å; F532-G534 VanDerWaalsContact CE1-CA 3.43Å; F532-G534 WeakPolarHBondContact CZ-O 3.37Å; F532-I568 HydrophobicContact CD2-CD1 4.37Å; F532-I568 HydrophobicContact CE2-CD1 3.65Å
533L76.8Confident88.3Confident2 Ų230.7 Ų30.71%0.0116%0.155CC..  trans-112.421.3-178.5-55.3178.4000111.8I60 D62 K531 M535 S536 Y564I60-L533 HydrophobicContact CD1-CB 4.42Å; I60-L533 HydrophobicContact CD1-CD2 3.63Å; I60-L533 HydrophobicContact CG1-CB 3.93Å; I60-L533 HydrophobicContact CG1-CD2 4.07Å; I60-L533 PolarHBondContact N-O 3.34Å; I60-L533 VanDerWaalsContact N-O 3.15Å; D62-L533 HydrophobicContact CB-CD2 4.39Å; D62-L533 VanDerWaalsContact OD1-CD1 3.27Å; D62-L533 WeakPolarHBondContact OD1-CD1 3.38Å; K531-L533 HydrophobicContact CB-CD2 4.23Å; L533-M535 PolarHBondContact O-N 2.61Å; L533-S536 CarbonylContact C-O 3.49Å; L533-S536 WeakPolarHBondContact CA-O 3.09Å; L533-S536 WeakPolarHBondContact CB-O 3.4Å; L533-S536 PolarHBondContact N-O 2.82Å; L533-Y564 HydrophobicContact CD1-CD1 4.24Å; L533-Y564 HydrophobicContact CD1-CE1 4.26Å
534G74.1Confident88.1Confident3 Ų333 Ų333%0.03117%0.165CC..SBendtrans81.9-71.7174.100000114.1I58 F532I58-G534 CarbonylContact O-C 3.53Å; I58-G534 WeakPolarHBondContact O-CA 3.05Å; F532-G534 VanDerWaalsContact CE1-CA 3.43Å; F532-G534 WeakPolarHBondContact CZ-O 3.37Å
535M72.4Confident88.1Confident34 Ų3433 Ų3317%0.16717%0.166CC..SBendtrans-99.1-1.4171.6-69.3-166.571.100113.4V57 I58 T71 L533 S567 I568V57-M535 HydrophobicContact CB-CG 4.46Å; V57-M535 HydrophobicContact CG1-CG 3.84Å; I58-M535 PolarHBondContact O-N 3.03Å; T71-M535 VanDerWaalsContact CB-SD 3.55Å; T71-M535 HydrophobicContact CG2-CE 4.11Å; T71-M535 HydrophobicContact CG2-SD 4.36Å; T71-M535 PolarHBondContact OG1-SD 3.17Å; L533-M535 PolarHBondContact O-N 2.61Å; M535-S567 PolarHBondContact O-N 3.25Å; M535-S567 VanDerWaalsContact O-N 3.11Å; M535-I568 PolarHBondContact O-N 3.47Å
536S81.7Confident88.1Confident11 Ų1133.6 Ų33.68%0.07717%0.17CC..EExtended strand (participates in β ladder)trans-137.9167.9177.8-48.60000110.8L533 G565 R566L533-S536 CarbonylContact C-O 3.49Å; L533-S536 WeakPolarHBondContact CA-O 3.09Å; L533-S536 WeakPolarHBondContact CB-O 3.4Å; L533-S536 PolarHBondContact N-O 2.82Å; S536-G565 CarbonylContact C-O 3.56Å; S536-G565 WeakPolarHBondContact CA-O 3.39Å; S536-G565 WeakPolarHBondContact CB-O 3.28Å; S536-R566 WeakPolarHBondContact OG-CD 3.28Å
537I85.7Confident88.3Confident34 Ų3433.5 Ų33.517%0.17417%0.17CC..EExtended strand (participates in β ladder)trans-119125.6164.9-64.7170.2000107.1L388 V539 Y564 G565 I568L388-I537 HydrophobicContact CD1-CB 4.26Å; L388-I537 HydrophobicContact CD1-CD1 3.8Å; L388-I537 HydrophobicContact CD1-CG1 3.62Å; L388-I537 HydrophobicContact CD1-CG2 3.74Å; I537-V539 HydrophobicContact CG2-CG2 4.11Å; I537-Y564 CarbonylContact O-C 3.46Å; I537-Y564 WeakPolarHBondContact O-CA 3.24Å; I537-G565 PolarHBondContact N-O 3.27Å; I537-G565 PolarHBondContact O-N 3.11Å; I537-I568 HydrophobicContact CD1-CD1 4.46Å; I537-I568 HydrophobicContact CD1-CG2 4.27Å; I537-I568 HydrophobicContact CG1-CD1 4.05Å; I537-I568 HydrophobicContact CG1-CG2 4.28Å
538G88.6Confident88.6Confident0 Ų029.5 Ų29.50%016%0.156CC..EExtended strand (participates in β ladder)trans-95.6134.7171.600000110.3S530 K531S530-G538 CarbonylContact C-O 3.57Å; S530-G538 WeakPolarHBondContact CA-O 3.38Å; K531-G538 PolarHBondContact N-O 3.45Å; K531-G538 PolarHBondContact O-N 3.07Å
539V90.6Very high88.9Confident35 Ų3528.2 Ų28.221%0.21215%0.148CC..EExtended strand (participates in β ladder)trans-125.7103177.6-174.80000107.5T528 I537 G563T528-V539 HydrophobicContact CG2-CG1 4.2Å; I537-V539 HydrophobicContact CG2-CG2 4.11Å; V539-G563 WeakPolarHBondContact CA-O 3.42Å; V539-G563 WeakPolarHBondContact CB-O 3.07Å; V539-G563 PolarHBondContact N-O 3.11Å; V539-G563 PolarHBondContact O-N 3.17Å
540H91.7Very high89.5Confident38 Ų3824.6 Ų24.618%0.17613%0.134CC..EExtended strand (participates in β ladder)trans-79122.8175.9-59.215.8000108.3D62 T528 K529 K531 N562D62-H540 IonicContact OD2-CE1 3.75Å; D62-H540 PolarHBondContact OD2-CE1 2.91Å; T528-H540 WeakPolarHBondContact CA-O 3.47Å; K529-H540 HydrophobicContact CB-CB 4.45Å; K529-H540 PolarHBondContact N-O 2.79Å; K529-H540 PolarHBondContact O-N 3.44Å; K531-H540 PolarHBondContact NZ-NE2 2.84Å; H540-N562 WeakPolarHBondContact CA-OD1 3.49Å
541N93Very high89.9Confident37 Ų3729.7 Ų29.720%0.19816%0.155CC..EExtended strand (participates in β ladder)trans-94.7118.2175.5-68.9-52.1000108.3I526 F560 P561I526-N541 HydrophobicContact CG2-CB 4.11Å; N541-F560 HydrophobicContact CB-CB 4.15Å; N541-P561 PolarHBondContact ND2-O 3.46Å
542I93.1Very high90.4Very high70 Ų7028.9 Ų28.936%0.35915%0.152SC..EExtended strand (participates in β ladder)trans-122.3138-174.1-59.6168.4000108.2I526 W527 K529I526-I542 CarbonylContact C-O 3.5Å; I526-I542 WeakPolarHBondContact CA-O 3.37Å; W527-I542 HydrophobicContact CG-CB 4.44Å; W527-I542 HydrophobicContact CZ2-CG2 4.02Å; W527-I542 PolarHBondContact N-O 3.02Å; W527-I542 PolarHBondContact O-N 3.18Å; K529-I542 HydrophobicContact CB-CD1 4.46Å
543G94.7Very high91.1Very high21 Ų2133.1 Ų33.122%0.21618%0.176CC..  trans127.5-177-171.300000110.9H525H525-G543 WeakPolarHBondContact NE2-CA 3.47Å; H525-G543 WeakPolarHBondContact O-CA 3.38Å
544Q96.1Very high92.2Very high70 Ų7033.6 Ų33.633%0.32718%0.178SC..  trans-142.3157.4-176.660.2175.96.600112.5A524 H525 I557 L558 C723A524-Q544 VanDerWaalsContact CA-O 3.24Å; A524-Q544 WeakPolarHBondContact CA-O 3.42Å; A524-Q544 WeakPolarHBondContact CB-O 3.23Å; H525-Q544 PolarHBondContact N-O 3.49Å; H525-Q544 VanDerWaalsContact N-O 3.13Å; H525-Q544 PolarHBondContact O-N 3.29Å; Q544-I557 HydrophobicContact CB-CG2 4.39Å; Q544-L558 CarbonylContact C-O 3.54Å; Q544-L558 VanDerWaalsContact CA-O 3.31Å; Q544-L558 WeakPolarHBondContact CA-O 3.48Å; Q544-L558 WeakPolarHBondContact CB-O 3.24Å; Q544-C723 PolarHBondContact NE2-SG 3.19Å
545G97.8Very high93.3Very high1 Ų136.4 Ų36.41%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-115.6156.5166.900000111.9N523 I557 L558N523-G545 CarbonylContact O-C 3.53Å; N523-G545 VanDerWaalsContact O-CA 3.32Å; N523-G545 WeakPolarHBondContact O-CA 3.47Å; G545-I557 CarbonylContact O-C 3.53Å; G545-I557 WeakPolarHBondContact O-CA 3.44Å; G545-L558 PolarHBondContact N-O 2.83Å; G545-L558 PolarHBondContact O-N 3.13Å
546C98.4Very high94.6Very high21 Ų2134.8 Ų34.814%0.14218%0.182CC..EExtended strand (participates in β ladder)trans-134.1105.8179.2-179.60000110.1F522 N523 S548 Y556 I557F522-C546 VanDerWaalsContact CA-O 3.29Å; F522-C546 WeakPolarHBondContact CA-O 3.23Å; N523-C546 PolarHBondContact N-O 2.97Å; N523-C546 PolarHBondContact O-N 3.07Å; C546-S548 PolarHBondContact SG-OG 2.96Å; C546-Y556 WeakPolarHBondContact CA-O 3.38Å; C546-I557 HydrophobicContact CB-CD1 3.87Å
547V98.7Very high95.4Very high0 Ų036.9 Ų36.90%019%0.192CC..EExtended strand (participates in β ladder)trans-78.7126.1165.8-178.20000107.9F417 I420 W436 I520 F522 H555 Y556 L558F417-V547 HydrophobicContact CE2-CG1 4.1Å; F417-V547 HydrophobicContact CE2-CG2 4.44Å; I420-V547 HydrophobicContact CD1-CG1 4.16Å; W436-V547 HydrophobicContact CE3-CG2 4.12Å; W436-V547 HydrophobicContact CH2-CG2 4.17Å; W436-V547 HydrophobicContact CZ3-CG2 3.44Å; W436-V547 VanDerWaalsContact CZ3-CG2 3.44Å; I520-V547 HydrophobicContact CD1-CG1 3.97Å; I520-V547 HydrophobicContact CG1-CG1 4.22Å; F522-V547 HydrophobicContact CD2-CB 4.48Å; F522-V547 HydrophobicContact CD2-CG2 3.71Å; F522-V547 HydrophobicContact CE2-CG2 4.2Å; V547-H555 CarbonylContact O-C 3.59Å; V547-H555 WeakPolarHBondContact O-CA 3.31Å; V547-Y556 HydrophobicContact CB-CD2 4.46Å; V547-Y556 PolarHBondContact N-O 2.87Å; V547-Y556 PolarHBondContact O-N 3.03Å; V547-L558 HydrophobicContact CG2-CD2 4.26Å
548S98.5Very high95.9Very high5 Ų535.3 Ų35.34%0.03518%0.184CC..EExtended strand (participates in β ladder)trans-120115.2179-48.60000111I520 Q521 C546 E554 H555I520-S548 WeakPolarHBondContact CA-O 3.28Å; Q521-S548 PolarHBondContact N-O 3.11Å; Q521-S548 VanDerWaalsContact N-O 3.1Å; Q521-S548 PolarHBondContact O-N 3.11Å; C546-S548 PolarHBondContact SG-OG 2.96Å; S548-E554 CarbonylContact C-O 3.58Å; S548-E554 WeakPolarHBondContact CA-O 3.36Å; S548-H555 WeakPolarHBondContact CB-ND1 3.22Å; S548-H555 PolarHBondContact OG-CE1 2.87Å; S548-H555 PolarHBondContact OG-ND1 3.4Å
549C97.9Very high96.4Very high0 Ų037.8 Ų37.80%020%0.199CC..EExtended strand (participates in β ladder)trans-94.997177.1-63.90000109.3E551 H552 D553 E554C549-E551 VanDerWaalsContact C-N 3.33Å; C549-E551 PolarHBondContact O-N 2.8Å; C549-H552 PolarHBondContact O-N 3.08Å; C549-H552 VanDerWaalsContact O-N 3.15Å; C549-D553 PolarHBondContact O-N 3.37Å; C549-E554 PolarHBondContact N-O 3.39Å; C549-E554 PolarHBondContact O-N 2.63Å
550L96.5Very high96.7Very high34 Ų3436.8 Ų36.818%0.17819%0.192CC..THydrogen-bonded Turntrans-73.7-20-162.7-52-179.6000114.1K519 Q521 L730 L731 L734K519-L550 HydrophobicContact CB-CB 4.31Å; K519-L550 VanDerWaalsContact O-CB 3.22Å; K519-L550 WeakPolarHBondContact O-CB 3.45Å; K519-L550 VanDerWaalsContact O-CG 3.28Å; K519-L550 WeakPolarHBondContact O-CG 3.33Å; K519-L550 PolarHBondContact O-N 3Å; Q521-L550 HydrophobicContact CG-CD1 4.43Å; Q521-L550 HydrophobicContact CG-CD2 4.1Å; Q521-L550 HydrophobicContact CG-CG 4.47Å; L550-L730 HydrophobicContact CD1-CB 4.13Å; L550-L730 HydrophobicContact CD1-CD2 4.03Å; L550-L730 HydrophobicContact CD1-CG 3.9Å; L550-L731 HydrophobicContact CD1-CB 4.19Å; L550-L731 HydrophobicContact CD2-CB 4.04Å; L550-L731 HydrophobicContact CD2-CD1 4.3Å; L550-L734 HydrophobicContact CD1-CD1 4.17Å
551E95.1Very high96.9Very high127 Ų12735.2 Ų35.259%0.59319%0.185SC*.THydrogen-bonded Turntrans-75.4-28172.6-60.6-148.5140.100113.1K519 C549K519-E551 HydrophobicContact CB-CG 4.09Å; K519-E551 HydrophobicContact CD-CG 3.84Å; K519-E551 WeakPolarHBondContact CD-OE1 3.28Å; K519-E551 WeakPolarHBondContact CE-OE1 3.37Å; K519-E551 IonicContact NZ-OE1 2.67Å; K519-E551 PolarHBondContact NZ-OE1 3.44Å; C549-E551 VanDerWaalsContact C-N 3.33Å; C549-E551 PolarHBondContact O-N 2.8Å
552H95.6Very high96.9Very high52 Ų5235 Ų3524%0.24118%0.183CC..THydrogen-bonded Turntrans-95.3-11.6176.7-56.3-53.6000112.6R429 C549 E554 K586R429-H552 WeakPolarHBondContact CD-CD2 3.3Å; R429-H552 VanDerWaalsContact CZ-CD2 3.47Å; R429-H552 PolarHBondContact NE-CD2 2.85Å; R429-H552 VanDerWaalsContact NE-CD2 3.33Å; R429-H552 PolarHBondContact NH1-CE1 3.1Å; R429-H552 PolarHBondContact NH1-NE2 2.91Å; C549-H552 PolarHBondContact O-N 3.08Å; C549-H552 VanDerWaalsContact O-N 3.15Å; H552-E554 VanDerWaalsContact C-N 3.26Å; H552-E554 HydrophobicContact CB-CB 4.13Å; H552-E554 HydrophobicContact CB-CG 3.88Å; H552-E554 PolarHBondContact O-N 2.79Å; H552-K586 PolarHBondContact O-NZ 3.11Å
553D96.8Very high96.9Very high101 Ų10132.2 Ų32.254%0.5417%0.172SC..THydrogen-bonded Turntrans53.848.5-171.6166.868.8000109.4C549 K586C549-D553 PolarHBondContact O-N 3.37Å; D553-K586 VanDerWaalsContact CB-NZ 3.32Å; D553-K586 WeakPolarHBondContact O-CD 3.13Å; D553-K586 PolarHBondContact O-NZ 2.87Å; D553-K586 IonicContact OD2-NZ 2.92Å; D553-K586 PolarHBondContact OD2-NZ 2.9Å
554E98.2Very high96.6Very high12 Ų1231.3 Ų31.36%0.05616%0.162CC..EExtended strand (participates in β ladder)trans-120.9132.5-176.1-78.1174.8-165.400111.1R429 S548 C549 H552 Y556 K586 T587R429-E554 IonicContact CZ-OE1 2.73Å; R429-E554 IonicContact CZ-OE2 2.7Å; R429-E554 IonicContact NE-OE1 3.45Å; R429-E554 IonicContact NE-OE2 3.02Å; R429-E554 PolarHBondContact NE-OE2 3.26Å; R429-E554 VanDerWaalsContact NH2-CD 3.29Å; R429-E554 IonicContact NH2-OE1 3.28Å; R429-E554 PolarHBondContact NH2-OE1 2.66Å; R429-E554 IonicContact NH2-OE2 2.61Å; R429-E554 PolarHBondContact NH2-OE2 3.29Å; R429-E554 VanDerWaalsContact NH2-OE2 3.12Å; S548-E554 CarbonylContact C-O 3.58Å; S548-E554 WeakPolarHBondContact CA-O 3.36Å; C549-E554 PolarHBondContact N-O 3.39Å; C549-E554 PolarHBondContact O-N 2.63Å; H552-E554 VanDerWaalsContact C-N 3.26Å; H552-E554 HydrophobicContact CB-CB 4.13Å; H552-E554 HydrophobicContact CB-CG 3.88Å; H552-E554 PolarHBondContact O-N 2.79Å; E554-Y556 HydrophobicContact CB-CE2 4.2Å; E554-Y556 PolarHBondContact OE2-OH 3.05Å; E554-K586 HydrophobicContact CG-CD 4.02Å; E554-T587 HydrophobicContact CG-CG2 3.82Å; E554-T587 VanDerWaalsContact OE1-CG2 3.26Å; E554-T587 WeakPolarHBondContact OE1-CG2 3.42Å
555H98.2Very high96.2Very high62 Ų6228.9 Ų28.929%0.28716%0.156SC..EExtended strand (participates in β ladder)trans-121.1123.2-178.1-61.2-84.3000110.2V547 S548 C584V547-H555 CarbonylContact O-C 3.59Å; V547-H555 WeakPolarHBondContact O-CA 3.31Å; S548-H555 WeakPolarHBondContact CB-ND1 3.22Å; S548-H555 PolarHBondContact OG-CE1 2.87Å; S548-H555 PolarHBondContact OG-ND1 3.4Å; H555-C584 WeakPolarHBondContact O-CA 3.43Å; H555-C584 PolarHBondContact O-SG 3.29Å
556Y98.8Very high95.5Very high0 Ų029.6 Ų29.60%016%0.158CC..EExtended strand (participates in β ladder)trans-106.4105.4176.8-58-97.6000109.2R429 M430 V433 C546 V547 E554 S583 C584R429-Y556 WeakPolarHBondContact CB-OH 3.43Å; M430-Y556 HydrophobicContact CB-CE1 4.33Å; M430-Y556 HydrophobicContact CE-CD1 3.7Å; M430-Y556 HydrophobicContact CE-CE1 3.84Å; M430-Y556 HydrophobicContact SD-CD1 4.17Å; M430-Y556 HydrophobicContact SD-CE1 4.28Å; V433-Y556 HydrophobicContact CB-CD1 4.45Å; V433-Y556 HydrophobicContact CG1-CD1 4.44Å; V433-Y556 HydrophobicContact CG1-CG 4.39Å; V433-Y556 HydrophobicContact CG2-CD1 3.83Å; V433-Y556 HydrophobicContact CG2-CD2 3.92Å; V433-Y556 HydrophobicContact CG2-CE1 4Å; V433-Y556 HydrophobicContact CG2-CE2 4.08Å; V433-Y556 HydrophobicContact CG2-CG 3.81Å; C546-Y556 WeakPolarHBondContact CA-O 3.38Å; V547-Y556 HydrophobicContact CB-CD2 4.46Å; V547-Y556 PolarHBondContact N-O 2.87Å; V547-Y556 PolarHBondContact O-N 3.03Å; E554-Y556 HydrophobicContact CB-CE2 4.2Å; E554-Y556 PolarHBondContact OE2-OH 3.05Å; Y556-S583 CarbonylContact C-O 3.6Å; Y556-S583 WeakPolarHBondContact CA-O 3.41Å; Y556-C584 HydrophobicContact CD1-CB 3.56Å; Y556-C584 HydrophobicContact CE1-CB 3.67Å; Y556-C584 HydrophobicContact CG-CB 4.15Å
557I98.4Very high94.5Very high55 Ų5530.4 Ų30.428%0.28216%0.164SC..EExtended strand (participates in β ladder)trans-81.6131.1175-52.2-56.1000108.7Q544 G545 C546 I582 S583Q544-I557 HydrophobicContact CB-CG2 4.39Å; G545-I557 CarbonylContact O-C 3.53Å; G545-I557 WeakPolarHBondContact O-CA 3.44Å; C546-I557 HydrophobicContact CB-CD1 3.87Å; I557-I582 CarbonylContact O-C 3.35Å; I557-I582 VanDerWaalsContact O-CA 3.28Å; I557-I582 WeakPolarHBondContact O-CA 3.48Å; I557-S583 PolarHBondContact N-O 3.31Å; I557-S583 PolarHBondContact O-N 2.95Å
558L97.9Very high93.4Very high1 Ų131.4 Ų31.41%0.00517%0.169CC..EExtended strand (participates in β ladder)trans-133.8148.2179.859.781.9000112.8W436 Y437 F522 Q544 G545 V547 F560 N581 I582W436-L558 HydrophobicContact CZ3-CD2 4.01Å; Y437-L558 HydrophobicContact CD2-CD1 4.34Å; Y437-L558 HydrophobicContact CD2-CD2 4Å; Y437-L558 HydrophobicContact CE2-CD1 4.09Å; F522-L558 HydrophobicContact CE2-CD1 4.38Å; F522-L558 HydrophobicContact CE2-CD2 4.3Å; Q544-L558 CarbonylContact C-O 3.54Å; Q544-L558 VanDerWaalsContact CA-O 3.31Å; Q544-L558 WeakPolarHBondContact CA-O 3.48Å; Q544-L558 WeakPolarHBondContact CB-O 3.24Å; G545-L558 PolarHBondContact N-O 2.83Å; G545-L558 PolarHBondContact O-N 3.13Å; V547-L558 HydrophobicContact CG2-CD2 4.26Å; L558-F560 HydrophobicContact CD1-CD1 4.37Å; L558-F560 HydrophobicContact CD1-CE1 3.73Å; L558-F560 HydrophobicContact CD1-CE2 4.46Å; L558-F560 HydrophobicContact CD1-CZ 3.79Å; L558-N581 VanDerWaalsContact CA-O 3.31Å; L558-N581 WeakPolarHBondContact CA-O 3.49Å; L558-I582 HydrophobicContact CB-CB 4.48Å; L558-I582 HydrophobicContact CB-CD1 4.37Å; L558-I582 HydrophobicContact CB-CG1 3.88Å; L558-I582 HydrophobicContact CB-CG2 4.42Å
559T97.6Very high91.8Very high52 Ų5232.2 Ų32.232%0.31917%0.173SC..  trans-103.8176.6169.562.50000111.2Y437 C580 N581Y437-T559 PolarHBondContact OH-O 3.31Å; T559-C580 WeakPolarHBondContact OG1-CA 3.25Å; T559-N581 PolarHBondContact N-O 2.96Å; T559-N581 VanDerWaalsContact N-O 3.11Å; T559-N581 PolarHBondContact OG1-N 3.48Å
560F97.1Very high90.5Very high14 Ų1436 Ų366%0.06120%0.196CC..  trans-121.9152.3-174.1-57.8-78.9000112.2F410 F511 F522 A524 I526 N541 L558 C580F410-F560 HydrophobicContact CD2-CE1 4.46Å; F410-F560 HydrophobicContact CE2-CD1 4.16Å; F410-F560 AromaticContact CE2-CE1 3.89Å; F410-F560 HydrophobicContact CE2-CE1 3.89Å; F410-F560 HydrophobicContact CZ-CD1 4.45Å; F511-F560 HydrophobicContact CZ-CZ 4.3Å; F522-F560 HydrophobicContact CZ-CZ 4.48Å; A524-F560 HydrophobicContact CB-CZ 4.07Å; I526-F560 HydrophobicContact CD1-CD1 3.95Å; I526-F560 HydrophobicContact CD1-CD2 3.63Å; I526-F560 HydrophobicContact CD1-CE1 3.98Å; I526-F560 HydrophobicContact CD1-CE2 3.66Å; I526-F560 HydrophobicContact CD1-CG 3.78Å; I526-F560 HydrophobicContact CD1-CZ 3.83Å; I526-F560 HydrophobicContact CG1-CD2 3.58Å; I526-F560 HydrophobicContact CG1-CE2 3.48Å; I526-F560 VanDerWaalsContact CG1-CE2 3.48Å; I526-F560 HydrophobicContact CG1-CG 4.24Å; I526-F560 HydrophobicContact CG1-CZ 4.08Å; N541-F560 HydrophobicContact CB-CB 4.15Å; L558-F560 HydrophobicContact CD1-CD1 4.37Å; L558-F560 HydrophobicContact CD1-CE1 3.73Å; L558-F560 HydrophobicContact CD1-CE2 4.46Å; L558-F560 HydrophobicContact CD1-CZ 3.79Å; F560-C580 VanDerWaalsContact C-SG 3.53Å
561P96.1Very high89.5Confident4 Ų437.6 Ų37.63%0.02621%0.207CC..PPolyproline II helixtrans-78.1155.5-178.531.2-34.1000112.1Y437 F441 N541 L576 G577 C580 F595Y437-P561 WeakPolarHBondContact OH-CD 3.36Å; F441-P561 HydrophobicContact CD1-CG 4.1Å; F441-P561 HydrophobicContact CE1-CG 3.53Å; F441-P561 HydrophobicContact CZ-CG 3.86Å; N541-P561 PolarHBondContact ND2-O 3.46Å; P561-L576 HydrophobicContact CB-CB 4.45Å; P561-L576 HydrophobicContact CG-CD1 4.26Å; P561-L576 HydrophobicContact CG-CD2 4.34Å; P561-G577 WeakPolarHBondContact CB-O 3.31Å; P561-C580 VanDerWaalsContact CA-SG 3.52Å; P561-F595 HydrophobicContact CB-CB 4.47Å; P561-F595 HydrophobicContact CB-CD2 3.68Å; P561-F595 HydrophobicContact CB-CE2 3.99Å; P561-F595 HydrophobicContact CB-CG 4Å; P561-F595 HydrophobicContact CG-CD2 4.3Å; P561-F595 HydrophobicContact CG-CE2 4.13Å; P561-F595 HydrophobicContact CG-CZ 4.33Å
562N94.1Very high88.8Confident32 Ų3232.4 Ų32.417%0.17118%0.184CC..EExtended strand (participates in β ladder)trans-69.7141.9169.4-68.2-24.7000110.4H540 Y564 L576 G577H540-N562 WeakPolarHBondContact CA-OD1 3.49Å; N562-Y564 HydrophobicContact CB-CE2 3.8Å; N562-L576 VanDerWaalsContact O-CA 3.32Å; N562-L576 WeakPolarHBondContact O-CA 3.28Å; N562-G577 PolarHBondContact N-O 3.25Å; N562-G577 PolarHBondContact O-N 3.48Å
563G91.8Very high88.2Confident12 Ų1231.6 Ų31.612%0.12418%0.179CC..EExtended strand (participates in β ladder)trans-103.8135.1175.600000112V539V539-G563 WeakPolarHBondContact CA-O 3.42Å; V539-G563 WeakPolarHBondContact CB-O 3.07Å; V539-G563 PolarHBondContact N-O 3.11Å; V539-G563 PolarHBondContact O-N 3.17Å
564Y88.8Confident87.8Confident3 Ų328.9 Ų28.91%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-124.3112.4-178.1-64.6-70.1000111.4D62 E63 L533 I537 N562 R566 V574 E575 T597D62-Y564 WeakPolarHBondContact OD1-CE1 3.38Å; D62-Y564 WeakPolarHBondContact OD2-CE1 3.34Å; E63-Y564 PolarHBondContact OE1-OH 3.24Å; L533-Y564 HydrophobicContact CD1-CD1 4.24Å; L533-Y564 HydrophobicContact CD1-CE1 4.26Å; I537-Y564 CarbonylContact O-C 3.46Å; I537-Y564 WeakPolarHBondContact O-CA 3.24Å; N562-Y564 HydrophobicContact CB-CE2 3.8Å; Y564-R566 PolarHBondContact O-N 2.99Å; Y564-V574 WeakPolarHBondContact O-CA 3.4Å; Y564-E575 PolarHBondContact N-O 2.99Å; Y564-E575 PolarHBondContact O-N 3.42Å; Y564-T597 HydrophobicContact CD2-CG2 3.86Å; Y564-T597 HydrophobicContact CE2-CG2 3.72Å
565G88.1Confident87.5Confident18 Ų1828.4 Ų28.419%0.18616%0.164CC..EExtended strand (participates in β ladder)trans-79.794.7166.100000109S536 I537 I568S536-G565 CarbonylContact C-O 3.56Å; S536-G565 WeakPolarHBondContact CA-O 3.39Å; S536-G565 WeakPolarHBondContact CB-O 3.28Å; I537-G565 PolarHBondContact N-O 3.27Å; I537-G565 PolarHBondContact O-N 3.11Å; G565-I568 WeakPolarHBondContact O-CG2 3.08Å
566R83.6Confident87.3Confident17 Ų1725.6 Ų25.66%0.06415%0.151CC..EExtended strand (participates in β ladder)trans-87.4155.9-179.4-59.5-62-159.8175.89.8110.5D61 S536 Y564 I568 P572 W573 E575D61-R566 IonicContact OD2-CZ 3.06Å; D61-R566 IonicContact OD2-NH1 2.66Å; D61-R566 PolarHBondContact OD2-NH1 3.35Å; D61-R566 IonicContact OD2-NH2 3.6Å; D61-R566 PolarHBondContact OD2-NH2 3.33Å; S536-R566 WeakPolarHBondContact OG-CD 3.28Å; Y564-R566 PolarHBondContact O-N 2.99Å; R566-I568 PolarHBondContact O-N 2.94Å; R566-P572 CarbonylContact O-C 3.56Å; R566-P572 VanDerWaalsContact O-CA 3.24Å; R566-P572 WeakPolarHBondContact O-CA 3.45Å; R566-W573 HydrophobicContact CB-CD2 4.03Å; R566-W573 VanDerWaalsContact CB-CE2 3.49Å; R566-W573 HydrophobicContact CB-CG 4.41Å; R566-W573 HydrophobicContact CB-CH2 4.44Å; R566-W573 HydrophobicContact CB-CZ2 3.73Å; R566-W573 HydrophobicContact CG-CH2 4.16Å; R566-W573 HydrophobicContact CG-CZ2 3.89Å; R566-W573 PolarHBondContact N-O 3.38Å; R566-W573 PolarHBondContact O-N 3.37Å; R566-E575 HydrophobicContact CG-CB 3.98Å; R566-E575 IonicContact CZ-OE2 3.32Å; R566-E575 VanDerWaalsContact CZ-OE2 3.28Å; R566-E575 IonicContact NE-OE2 2.71Å; R566-E575 PolarHBondContact NE-OE2 3.42Å; R566-E575 IonicContact NH2-OE2 2.7Å; R566-E575 PolarHBondContact NH2-OE2 2.68Å
567S76.5Confident87Confident37 Ų3725.6 Ų25.626%0.25915%0.151SC..  trans64.930.8170.4-61.30000116.7M535 L569 T570 V571 W573M535-S567 PolarHBondContact O-N 3.25Å; M535-S567 VanDerWaalsContact O-N 3.11Å; S567-L569 PolarHBondContact O-N 2.94Å; S567-T570 CarbonylContact O-C 3.55Å; S567-T570 PolarHBondContact O-N 2.79Å; S567-T570 PolarHBondContact O-OG1 3.41Å; S567-V571 VanDerWaalsContact CB-O 3.28Å; S567-V571 WeakPolarHBondContact CB-O 3.23Å; S567-W573 PolarHBondContact OG-NE1 3.12Å; S567-W573 VanDerWaalsContact OG-NE1 3.07Å
568I75.4Confident86.6Confident21 Ų2123.3 Ų23.311%0.10814%0.141CC..THydrogen-bonded Turntrans-59.5-2.7-175.268-172.9000117.2I375 L379 F532 M535 I537 G565 R566I375-I568 WeakPolarHBondContact CG2-O 3.46Å; L379-I568 HydrophobicContact CD1-CD1 4.2Å; L379-I568 HydrophobicContact CD1-CG1 4.1Å; L379-I568 HydrophobicContact CD2-CD1 4.25Å; F532-I568 HydrophobicContact CD2-CD1 4.37Å; F532-I568 HydrophobicContact CE2-CD1 3.65Å; M535-I568 PolarHBondContact O-N 3.47Å; I537-I568 HydrophobicContact CD1-CD1 4.46Å; I537-I568 HydrophobicContact CD1-CG2 4.27Å; I537-I568 HydrophobicContact CG1-CD1 4.05Å; I537-I568 HydrophobicContact CG1-CG2 4.28Å; G565-I568 WeakPolarHBondContact O-CG2 3.08Å; R566-I568 PolarHBondContact O-N 2.94Å
569L66.4Low86.5Confident23 Ų2328.6 Ų28.612%0.1217%0.166CC..THydrogen-bonded Turntrans-108.70.2178.3-78.7159.5000113.4V57 M376 L379 S567V57-L569 HydrophobicContact CB-CD1 3.97Å; V57-L569 HydrophobicContact CG1-CD1 3.72Å; V57-L569 HydrophobicContact CG2-CD1 3.76Å; M376-L569 HydrophobicContact CE-CD2 3.7Å; M376-L569 HydrophobicContact SD-CD2 3.58Å; M376-L569 VanDerWaalsContact SD-CD2 3.58Å; L379-L569 HydrophobicContact CD1-CD1 4.43Å; L379-L569 HydrophobicContact CD1-CD2 3.56Å; L379-L569 HydrophobicContact CD1-CG 3.74Å; S567-L569 PolarHBondContact O-N 2.94Å
570T69.1Low86.6Confident78 Ų7826.1 Ų26.148%0.47915%0.151SC..SBendtrans-137.2-136.3176.853.50000106.7V368 S567 P572V368-T570 WeakPolarHBondContact CG1-O 3.36Å; S567-T570 CarbonylContact O-C 3.55Å; S567-T570 PolarHBondContact O-N 2.79Å; S567-T570 PolarHBondContact O-OG1 3.41Å; T570-P572 VanDerWaalsContact O-CD 3.28Å; T570-P572 WeakPolarHBondContact O-CD 3.18Å
571V75.6Confident86.6Confident69 Ų6928.3 Ų28.342%0.41816%0.163SC..SBendtrans-77.8114.6168.6-1750000109.2V449 S567V449-V571 HydrophobicContact CG1-CG1 4.41Å; V449-V571 HydrophobicContact CG2-CG1 3.91Å; S567-V571 VanDerWaalsContact CB-O 3.28Å; S567-V571 WeakPolarHBondContact CB-O 3.23Å
572P80.3Confident86.7Confident17 Ų1728.1 Ų28.111%0.1116%0.162CC..  trans-74.2148.8178.833.6-37.5000110.7V449 A450 R566 T570V449-P572 CarbonylContact C-O 3.57Å; V449-P572 WeakPolarHBondContact CA-O 3.47Å; V449-P572 HydrophobicContact CG1-CG 3.94Å; A450-P572 HydrophobicContact CB-CB 4.13Å; A450-P572 HydrophobicContact CB-CG 4.49Å; A450-P572 PolarHBondContact N-O 2.94Å; R566-P572 CarbonylContact O-C 3.56Å; R566-P572 VanDerWaalsContact O-CA 3.24Å; R566-P572 WeakPolarHBondContact O-CA 3.45Å; T570-P572 VanDerWaalsContact O-CD 3.28Å; T570-P572 WeakPolarHBondContact O-CD 3.18Å
573W84.4Confident86.9Confident35 Ų3529.1 Ų29.113%0.13317%0.172CC..EExtended strand (participates in β ladder)trans-147.3149.8177.661.9-79.2000111.9R566 S567 E575 K598 K605R566-W573 HydrophobicContact CB-CD2 4.03Å; R566-W573 VanDerWaalsContact CB-CE2 3.49Å; R566-W573 HydrophobicContact CB-CG 4.41Å; R566-W573 HydrophobicContact CB-CH2 4.44Å; R566-W573 HydrophobicContact CB-CZ2 3.73Å; R566-W573 HydrophobicContact CG-CH2 4.16Å; R566-W573 HydrophobicContact CG-CZ2 3.89Å; R566-W573 PolarHBondContact N-O 3.38Å; R566-W573 PolarHBondContact O-N 3.37Å; S567-W573 PolarHBondContact OG-NE1 3.12Å; S567-W573 VanDerWaalsContact OG-NE1 3.07Å; W573-E575 HydrophobicContact CE3-CB 4.33Å; W573-E575 HydrophobicContact CH2-CB 4.17Å; W573-E575 VanDerWaalsContact CH2-OE1 3.32Å; W573-E575 WeakPolarHBondContact CH2-OE1 3.48Å; W573-E575 HydrophobicContact CZ3-CB 3.73Å; W573-E575 HydrophobicContact CZ3-CG 4.35Å; W573-K598 HydrophobicContact CH2-CB 4.46Å; W573-K605 HydrophobicContact CE3-CD 3.9Å; W573-K605 HydrophobicContact CH2-CD 3.84Å; W573-K605 HydrophobicContact CH2-CG 3.97Å; W573-K605 HydrophobicContact CZ2-CD 4.49Å; W573-K605 HydrophobicContact CZ3-CB 4.47Å; W573-K605 HydrophobicContact CZ3-CD 3.48Å; W573-K605 VanDerWaalsContact CZ3-CD 3.48Å; W573-K605 VanDerWaalsContact CZ3-CE 3.46Å; W573-K605 HydrophobicContact CZ3-CG 3.94Å
574V88.4Confident87.2Confident45 Ų4528.6 Ų28.627%0.27317%0.166SC..EExtended strand (participates in β ladder)trans-86.7131.9-176.1-171.70000111.3A450 Y564 H606A450-V574 HydrophobicContact CB-CG2 3.5Å; Y564-V574 WeakPolarHBondContact O-CA 3.4Å; V574-H606 PolarHBondContact O-CE1 3Å
575E90.9Very high87.6Confident2 Ų233.6 Ų33.61%0.00920%0.201CC..EExtended strand (participates in β ladder)trans-120.8154.9167.1178.3163.4-97.500109.8Y564 R566 W573 T597 K598Y564-E575 PolarHBondContact N-O 2.99Å; Y564-E575 PolarHBondContact O-N 3.42Å; R566-E575 HydrophobicContact CG-CB 3.98Å; R566-E575 IonicContact CZ-OE2 3.32Å; R566-E575 VanDerWaalsContact CZ-OE2 3.28Å; R566-E575 IonicContact NE-OE2 2.71Å; R566-E575 PolarHBondContact NE-OE2 3.42Å; R566-E575 IonicContact NH2-OE2 2.7Å; R566-E575 PolarHBondContact NH2-OE2 2.68Å; W573-E575 HydrophobicContact CE3-CB 4.33Å; W573-E575 HydrophobicContact CH2-CB 4.17Å; W573-E575 VanDerWaalsContact CH2-OE1 3.32Å; W573-E575 WeakPolarHBondContact CH2-OE1 3.48Å; W573-E575 HydrophobicContact CZ3-CB 3.73Å; W573-E575 HydrophobicContact CZ3-CG 4.35Å; E575-T597 HydrophobicContact CG-CG2 4.4Å; E575-T597 WeakPolarHBondContact OE2-CB 3.25Å; E575-K598 VanDerWaalsContact CD-N 3.34Å; E575-K598 WeakPolarHBondContact OE1-CB 3.35Å; E575-K598 PolarHBondContact OE1-N 3.32Å; E575-K598 PolarHBondContact OE2-N 3.27Å
576L93.1Very high88.1Confident2 Ų238.1 Ų38.11%0.0122%0.216CC..EExtended strand (participates in β ladder)trans-118.2141.9172.1-63179000108.6F441 P561 N562 F595 W628F441-L576 HydrophobicContact CB-CD1 3.89Å; F441-L576 HydrophobicContact CD1-CD1 3.87Å; F441-L576 HydrophobicContact CG-CD1 4Å; P561-L576 HydrophobicContact CB-CB 4.45Å; P561-L576 HydrophobicContact CG-CD1 4.26Å; P561-L576 HydrophobicContact CG-CD2 4.34Å; N562-L576 VanDerWaalsContact O-CA 3.32Å; N562-L576 WeakPolarHBondContact O-CA 3.28Å; L576-F595 HydrophobicContact CB-CB 4.26Å; L576-F595 HydrophobicContact CB-CD1 3.8Å; L576-F595 HydrophobicContact CB-CG 4.25Å; L576-F595 HydrophobicContact CD1-CD1 4.07Å; L576-F595 HydrophobicContact CD1-CE1 3.95Å; L576-W628 HydrophobicContact CB-CZ2 4.27Å; L576-W628 HydrophobicContact CD1-CD2 4.03Å; L576-W628 HydrophobicContact CD1-CE3 4.36Å; L576-W628 HydrophobicContact CD1-CH2 4.2Å; L576-W628 HydrophobicContact CD1-CZ2 3.79Å; L576-W628 HydrophobicContact CD1-CZ3 4.45Å; L576-W628 HydrophobicContact CG-CH2 4.35Å; L576-W628 HydrophobicContact CG-CZ2 3.69Å
577G92.4Very high88.7Confident0 Ų038.4 Ų38.40%022%0.22CC..EExtended strand (participates in β ladder)trans-147.7-167.3176.200000112.5P561 N562 F595P561-G577 WeakPolarHBondContact CB-O 3.31Å; N562-G577 PolarHBondContact N-O 3.25Å; N562-G577 PolarHBondContact O-N 3.48Å; G577-F595 WeakPolarHBondContact CA-O 3.46Å
578G91.9Very high89.8Confident8 Ų838.4 Ų38.48%0.08223%0.225CC..SBendtrans73.5159.7-173.400000115.2E63 M594 F595E63-G578 PolarHBondContact OE1-N 3.07Å; G578-M594 WeakPolarHBondContact O-CE 3.43Å; G578-F595 PolarHBondContact O-N 3.06Å
579E95.6Very high90.8Very high112 Ų11239.3 Ų39.352%0.52323%0.227SC..EExtended strand (participates in β ladder)trans-85.6130.5175.4-171.4-174.4113.300110.6N581 T592 M594E579-N581 PolarHBondContact OE1-ND2 3Å; E579-T592 HydrophobicContact CG-CG2 3.64Å; E579-M594 HydrophobicContact CB-SD 4.34Å
580C98.1Very high92.4Very high0 Ų040.1 Ų40.10%024%0.235CC..EExtended strand (participates in β ladder)trans-109.5143.5169.3-48.30000109.2Y437 T559 F560 P561 I593Y437-C580 HydrophobicContact CE1-CB 4.31Å; Y437-C580 WeakPolarHBondContact OH-CB 3.47Å; Y437-C580 PolarHBondContact OH-SG 2.95Å; T559-C580 WeakPolarHBondContact OG1-CA 3.25Å; F560-C580 VanDerWaalsContact C-SG 3.53Å; P561-C580 VanDerWaalsContact CA-SG 3.52Å; C580-I593 HydrophobicContact CB-CB 4.24Å; C580-I593 PolarHBondContact N-O 3.21Å; C580-I593 PolarHBondContact O-N 2.88Å
581N98.1Very high93.8Very high59 Ų5936.4 Ų36.432%0.31621%0.212SC..EExtended strand (participates in β ladder)trans-121.2147.3173.5-76.4-76.5000110.5L558 T559 E579 A591 T592L558-N581 VanDerWaalsContact CA-O 3.31Å; L558-N581 WeakPolarHBondContact CA-O 3.49Å; T559-N581 PolarHBondContact N-O 2.96Å; T559-N581 VanDerWaalsContact N-O 3.11Å; T559-N581 PolarHBondContact OG1-N 3.48Å; E579-N581 PolarHBondContact OE1-ND2 3Å; N581-A591 WeakPolarHBondContact CA-O 3.04Å; N581-T592 WeakPolarHBondContact OD1-CB 3.41Å; N581-T592 WeakPolarHBondContact OD1-CG2 3.23Å; N581-T592 PolarHBondContact OD1-OG1 2.93Å
582I98.6Very high94.8Very high0 Ų035.1 Ų35.10%021%0.205CC..EExtended strand (participates in β ladder)trans-125.6134.1171.7-52.4-170000107.7M430 V433 V434 Y437 I557 L558 S590 A591 I593M430-I582 HydrophobicContact CE-CG2 4.36Å; M430-I582 HydrophobicContact SD-CG2 4.11Å; V433-I582 HydrophobicContact CG1-CD1 4.2Å; V433-I582 HydrophobicContact CG1-CG2 3.86Å; V434-I582 HydrophobicContact CG2-CD1 4.22Å; Y437-I582 HydrophobicContact CD1-CD1 3.98Å; Y437-I582 HydrophobicContact CD2-CD1 4.34Å; Y437-I582 HydrophobicContact CG-CD1 3.83Å; I557-I582 CarbonylContact O-C 3.35Å; I557-I582 VanDerWaalsContact O-CA 3.28Å; I557-I582 WeakPolarHBondContact O-CA 3.48Å; L558-I582 HydrophobicContact CB-CB 4.48Å; L558-I582 HydrophobicContact CB-CD1 4.37Å; L558-I582 HydrophobicContact CB-CG1 3.88Å; L558-I582 HydrophobicContact CB-CG2 4.42Å; I582-S590 CarbonylContact O-C 3.39Å; I582-S590 WeakPolarHBondContact O-CA 3.21Å; I582-S590 WeakPolarHBondContact O-CB 3.15Å; I582-A591 HydrophobicContact CB-CB 4.42Å; I582-A591 PolarHBondContact N-O 3.31Å; I582-A591 PolarHBondContact O-N 3.32Å; I582-I593 HydrophobicContact CD1-CD1 3.75Å; I582-I593 HydrophobicContact CG1-CD1 4.11Å
583S98.2Very high95.7Very high54 Ų5434.3 Ų34.338%0.37820%0.199SC..EExtended strand (participates in β ladder)trans-148.4145.9179.165.50000113Y556 I557Y556-S583 CarbonylContact C-O 3.6Å; Y556-S583 WeakPolarHBondContact CA-O 3.41Å; I557-S583 PolarHBondContact N-O 3.31Å; I557-S583 PolarHBondContact O-N 2.95Å
584C98.4Very high96.3Very high1 Ų135.2 Ų35.21%0.00721%0.205CC..  trans-124.2106173.1174.60000109.8M430 H555 Y556 K586 T587 G588 Y589M430-C584 HydrophobicContact CE-CB 4.36Å; H555-C584 WeakPolarHBondContact O-CA 3.43Å; H555-C584 PolarHBondContact O-SG 3.29Å; Y556-C584 HydrophobicContact CD1-CB 3.56Å; Y556-C584 HydrophobicContact CE1-CB 3.67Å; Y556-C584 HydrophobicContact CG-CB 4.15Å; C584-K586 VanDerWaalsContact C-N 3.32Å; C584-K586 PolarHBondContact O-N 3.13Å; C584-T587 WeakPolarHBondContact CB-OG1 3.34Å; C584-T587 PolarHBondContact O-N 2.8Å; C584-T587 PolarHBondContact O-OG1 3.19Å; C584-T587 PolarHBondContact SG-OG1 2.85Å; C584-G588 WeakPolarHBondContact O-CA 3.23Å; C584-G588 PolarHBondContact O-N 3.34Å; C584-Y589 PolarHBondContact N-O 2.87Å
585S97.1Very high96.7Very high107 Ų10733.1 Ų33.175%0.74819%0.193SC*.THydrogen-bonded Turntrans-59.8-38.5-173.1550000113.4
586K97.5Very high96.6Very high113 Ų11334.9 Ų34.949%0.49120%0.201SC..THydrogen-bonded Turntrans-67.3-40.3179.9179.9176.6178.31760113.4H552 D553 E554 C584H552-K586 PolarHBondContact O-NZ 3.11Å; D553-K586 VanDerWaalsContact CB-NZ 3.32Å; D553-K586 WeakPolarHBondContact O-CD 3.13Å; D553-K586 PolarHBondContact O-NZ 2.87Å; D553-K586 IonicContact OD2-NZ 2.92Å; D553-K586 PolarHBondContact OD2-NZ 2.9Å; E554-K586 HydrophobicContact CG-CD 4.02Å; C584-K586 VanDerWaalsContact C-N 3.32Å; C584-K586 PolarHBondContact O-N 3.13Å
587T97.5Very high96.4Very high24 Ų2435.9 Ų35.915%0.14721%0.207CC..THydrogen-bonded Turntrans-90.9-21.7-177.465.40000112.3P426 E554 C584 Y589 P615P426-T587 HydrophobicContact CB-CG2 3.95Å; E554-T587 HydrophobicContact CG-CG2 3.82Å; E554-T587 VanDerWaalsContact OE1-CG2 3.26Å; E554-T587 WeakPolarHBondContact OE1-CG2 3.42Å; C584-T587 WeakPolarHBondContact CB-OG1 3.34Å; C584-T587 PolarHBondContact O-N 2.8Å; C584-T587 PolarHBondContact O-OG1 3.19Å; C584-T587 PolarHBondContact SG-OG1 2.85Å; T587-Y589 VanDerWaalsContact C-N 3.25Å; T587-Y589 PolarHBondContact O-N 2.83Å; T587-Y589 PolarHBondContact OG1-N 2.85Å; T587-P615 WeakPolarHBondContact O-CG 3.47Å
588G97.8Very high95.7Very high36 Ų3640.6 Ų40.637%0.37123%0.228SC..  trans77.72.1-176.100000114.6C584 P615C584-G588 WeakPolarHBondContact O-CA 3.23Å; C584-G588 PolarHBondContact O-N 3.34Å; G588-P615 WeakPolarHBondContact O-CA 3.18Å
589Y98.3Very high94.5Very high41 Ų4142.5 Ų42.516%0.16124%0.238CC..  trans-76.9146.7176.1-77.6-98.3000111.3P426 R427 M430 C584 T587 F613 A614 P615 F621P426-Y589 HydrophobicContact CB-CD2 4.37Å; P426-Y589 HydrophobicContact CB-CE2 4.06Å; R427-Y589 HydrophobicContact CB-CE1 3.96Å; R427-Y589 HydrophobicContact CG-CE1 4.06Å; M430-Y589 HydrophobicContact CB-CD1 4.43Å; M430-Y589 HydrophobicContact CB-CG 4.49Å; M430-Y589 VanDerWaalsContact CE-O 3.3Å; M430-Y589 WeakPolarHBondContact CE-O 3.38Å; C584-Y589 PolarHBondContact N-O 2.87Å; T587-Y589 VanDerWaalsContact C-N 3.25Å; T587-Y589 PolarHBondContact O-N 2.83Å; T587-Y589 PolarHBondContact OG1-N 2.85Å; Y589-F613 VanDerWaalsContact CD1-O 3.28Å; Y589-F613 WeakPolarHBondContact CD1-O 3.31Å; Y589-A614 HydrophobicContact CE1-CB 4.34Å; Y589-P615 HydrophobicContact CD2-CG 3.66Å; Y589-P615 HydrophobicContact CE2-CG 3.62Å; Y589-P615 HydrophobicContact CG-CG 4.28Å; Y589-F621 AromaticContact CD1-CE1 3.77Å; Y589-F621 HydrophobicContact CD1-CE1 3.77Å; Y589-F621 HydrophobicContact CD1-CZ 4.18Å; Y589-F621 AromaticContact CE1-CE1 3.64Å; Y589-F621 HydrophobicContact CE1-CE1 3.64Å; Y589-F621 HydrophobicContact CE1-CZ 4.02Å
590S98.3Very high92.5Very high40 Ų4040.2 Ų40.228%0.2823%0.227SC..EExtended strand (participates in β ladder)trans-141.9165171.663.50000112.2I582 F613I582-S590 CarbonylContact O-C 3.39Å; I582-S590 WeakPolarHBondContact O-CA 3.21Å; I582-S590 WeakPolarHBondContact O-CB 3.15Å; S590-F613 PolarHBondContact O-N 2.82Å
591A98.4Very high90Very high0 Ų043.9 Ų43.90%024%0.241CC..EExtended strand (participates in β ladder)trans-141.9143.1167.600000110.7V434 N581 I582 E611 I612V434-A591 HydrophobicContact CG2-CB 3.59Å; N581-A591 WeakPolarHBondContact CA-O 3.04Å; I582-A591 HydrophobicContact CB-CB 4.42Å; I582-A591 PolarHBondContact N-O 3.31Å; I582-A591 PolarHBondContact O-N 3.32Å; A591-E611 CarbonylContact C-O 3.45Å; A591-E611 WeakPolarHBondContact CA-O 3.4Å; A591-E611 WeakPolarHBondContact CB-O 2.97Å; A591-I612 HydrophobicContact CB-CB 4.37Å; A591-I612 HydrophobicContact CB-CG1 4.06Å; A591-I612 HydrophobicContact CB-CG2 4.26Å
592T98.3Very high87.8Confident42 Ų4243.5 Ų43.526%0.25825%0.251SS..EExtended strand (participates in β ladder)trans-114.8131.5173.2-56.50000108.5E579 N581 A610 E611E579-T592 HydrophobicContact CG-CG2 3.64Å; N581-T592 WeakPolarHBondContact OD1-CB 3.41Å; N581-T592 WeakPolarHBondContact OD1-CG2 3.23Å; N581-T592 PolarHBondContact OD1-OG1 2.93Å; T592-A610 CarbonylContact O-C 3.58Å; T592-A610 VanDerWaalsContact O-CA 3.31Å; T592-A610 WeakPolarHBondContact O-CA 3.44Å; T592-E611 PolarHBondContact N-O 3.41Å; T592-E611 PolarHBondContact O-N 3.01Å
593I98.4Very high86.2Confident0 Ų046.4 Ų46.40%028%0.282CS..EExtended strand (participates in β ladder)trans-129.4110.8-169.3-53.1-179.3000108.5V434 Y437 L438 C580 I582 F595 V608 A610V434-I593 HydrophobicContact CG1-CD1 4.29Å; Y437-I593 HydrophobicContact CD1-CD1 3.47Å; Y437-I593 VanDerWaalsContact CD1-CD1 3.47Å; Y437-I593 HydrophobicContact CE1-CD1 3.65Å; Y437-I593 HydrophobicContact CE1-CG2 4.41Å; L438-I593 HydrophobicContact CD2-CG2 3.89Å; C580-I593 HydrophobicContact CB-CB 4.24Å; C580-I593 PolarHBondContact N-O 3.21Å; C580-I593 PolarHBondContact O-N 2.88Å; I582-I593 HydrophobicContact CD1-CD1 3.75Å; I582-I593 HydrophobicContact CG1-CD1 4.11Å; I593-F595 HydrophobicContact CG2-CD2 4.18Å; I593-F595 HydrophobicContact CG2-CE2 3.73Å; I593-F595 HydrophobicContact CG2-CZ 4.41Å; I593-V608 HydrophobicContact CG2-CG2 3.97Å; I593-A610 HydrophobicContact CB-CB 4.31Å; I593-A610 HydrophobicContact CG1-CB 3.82Å; I593-A610 HydrophobicContact CG2-CB 4.24Å
594M97.1Very high85.2Confident53 Ų5350 Ų5026%0.26129%0.291SS..EExtended strand (participates in β ladder)trans-98.4112.5180-172.375.1-113.800109.5G578 E579 H596 V608 T609G578-M594 WeakPolarHBondContact O-CE 3.43Å; E579-M594 HydrophobicContact CB-SD 4.34Å; M594-H596 PolarHBondContact O-CD2 2.9Å; M594-H596 PolarHBondContact O-NE2 2.8Å; M594-V608 WeakPolarHBondContact O-CA 3.31Å; M594-T609 PolarHBondContact N-O 3.42Å; M594-T609 PolarHBondContact O-N 2.86Å
595F95.9Very high84.5Confident1 Ų153.7 Ų53.70%0.00431%0.306CS..EExtended strand (participates in β ladder)trans-83.8124.3164.5-71.6-97.7000108Y437 L438 F441 P561 L576 G577 G578 I593 V608 W628Y437-F595 HydrophobicContact CE1-CE2 4.15Å; Y437-F595 HydrophobicContact CE1-CZ 4.41Å; L438-F595 HydrophobicContact CD2-CZ 4.32Å; F441-F595 HydrophobicContact CD2-CE1 4.22Å; F441-F595 AromaticContact CD2-CZ 3.76Å; F441-F595 HydrophobicContact CD2-CZ 3.76Å; F441-F595 AromaticContact CE2-CZ 3.8Å; F441-F595 HydrophobicContact CE2-CZ 3.8Å; F441-F595 HydrophobicContact CG-CE1 4.46Å; F441-F595 HydrophobicContact CG-CZ 4.36Å; F441-F595 HydrophobicContact CZ-CZ 4.45Å; P561-F595 HydrophobicContact CB-CB 4.47Å; P561-F595 HydrophobicContact CB-CD2 3.68Å; P561-F595 HydrophobicContact CB-CE2 3.99Å; P561-F595 HydrophobicContact CB-CG 4Å; P561-F595 HydrophobicContact CG-CD2 4.3Å; P561-F595 HydrophobicContact CG-CE2 4.13Å; P561-F595 HydrophobicContact CG-CZ 4.33Å; L576-F595 HydrophobicContact CB-CB 4.26Å; L576-F595 HydrophobicContact CB-CD1 3.8Å; L576-F595 HydrophobicContact CB-CG 4.25Å; L576-F595 HydrophobicContact CD1-CD1 4.07Å; L576-F595 HydrophobicContact CD1-CE1 3.95Å; G577-F595 WeakPolarHBondContact CA-O 3.46Å; G578-F595 PolarHBondContact O-N 3.06Å; I593-F595 HydrophobicContact CG2-CD2 4.18Å; I593-F595 HydrophobicContact CG2-CE2 3.73Å; I593-F595 HydrophobicContact CG2-CZ 4.41Å; F595-V608 HydrophobicContact CD1-CG2 4.21Å; F595-V608 HydrophobicContact CE1-CG2 4.2Å; F595-V608 HydrophobicContact CG-CG2 4.39Å; F595-V608 HydrophobicContact CZ-CG2 4.37Å; F595-W628 AromaticContact CD1-CD1 3.64Å; F595-W628 HydrophobicContact CD1-CG 4.23Å; F595-W628 HydrophobicContact CE1-CB 4.11Å; F595-W628 AromaticContact CE1-CD1 3.91Å; F595-W628 HydrophobicContact CE1-CG 4.05Å
596H90.4Very high84.2Confident40 Ų4049.9 Ų49.919%0.18528%0.277CS..EExtended strand (participates in β ladder)trans-100.3116.8-174.8-61-110.5000109.9M594 R607 T609M594-H596 PolarHBondContact O-CD2 2.9Å; M594-H596 PolarHBondContact O-NE2 2.8Å; H596-R607 HydrophobicContact CB-CB 4.04Å; H596-R607 HydrophobicContact CB-CG 4.33Å; H596-R607 WeakPolarHBondContact CB-O 3.38Å; H596-R607 PolarHBondContact CD2-O 2.87Å; H596-R607 PolarHBondContact N-O 3.11Å; H596-R607 PolarHBondContact ND1-NE 2.85Å; H596-R607 PolarHBondContact ND1-NH2 2.94Å; H596-T609 PolarHBondContact NE2-OG1 3.03Å
597T87.8Confident84Confident23 Ų2349 Ų4914%0.14127%0.27CS..PPolyproline II helixtrans-57.8148.5162.553.60000110.4E63 Y564 E575 P599E63-T597 HydrophobicContact CG-CG2 3.8Å; Y564-T597 HydrophobicContact CD2-CG2 3.86Å; Y564-T597 HydrophobicContact CE2-CG2 3.72Å; E575-T597 HydrophobicContact CG-CG2 4.4Å; E575-T597 WeakPolarHBondContact OE2-CB 3.25Å; T597-P599 VanDerWaalsContact O-CD 3.23Å; T597-P599 WeakPolarHBondContact O-CD 3.44Å
598K78.5Confident83.9Confident99 Ų9948 Ų4843%0.4326%0.264SS..PPolyproline II helixtrans-65.1118.1-177.3-179.5-158.1169-167.90109.9W573 E575 K605W573-K598 HydrophobicContact CH2-CB 4.46Å; E575-K598 VanDerWaalsContact CD-N 3.34Å; E575-K598 WeakPolarHBondContact OE1-CB 3.35Å; E575-K598 PolarHBondContact OE1-N 3.32Å; E575-K598 PolarHBondContact OE2-N 3.27Å; K598-K605 HydrophobicContact CD-CG 4.25Å
599P65.6Low83.9Confident47 Ų4748.4 Ų48.431%0.30526%0.259SS..PPolyproline II helixtrans-60.1150.4178-23.334.8000112.5T597 Y601T597-P599 VanDerWaalsContact O-CD 3.23Å; T597-P599 WeakPolarHBondContact O-CD 3.44Å; P599-Y601 PolarHBondContact O-N 2.96Å
600F53.6Low83.9Confident65 Ų6546.5 Ų46.529%0.28525%0.252SS..SBendtrans-55.7-25.7178.1-60.7-76000114.3D61 D64 T67 H78D61-F600 HydrophobicContact CB-CZ 3.81Å; D64-F600 HydrophobicContact CB-CE2 4.2Å; D64-F600 WeakPolarHBondContact OD2-CE2 3.23Å; T67-F600 HydrophobicContact CG2-CE2 4.25Å; T67-F600 WeakPolarHBondContact OG1-CE2 3.19Å; T67-F600 WeakPolarHBondContact OG1-CZ 3.27Å; H78-F600 AromaticContact ND1-CD1 3.81Å
601Y46.7Very low83.8Confident76 Ų7648.6 Ų48.630%0.29826%0.257SS..SBendtrans-126.793-171.7-53.7-55.2000112.5W12 W19 P599W12-Y601 HydrophobicContact CB-CE1 4.19Å; W12-Y601 WeakPolarHBondContact CB-OH 3.48Å; W12-Y601 AromaticContact CD1-CE1 3.74Å; W12-Y601 AromaticContact CD2-CD1 3.78Å; W12-Y601 HydrophobicContact CD2-CD1 3.78Å; W12-Y601 AromaticContact CD2-CE1 3.16Å; W12-Y601 HydrophobicContact CD2-CE1 3.16Å; W12-Y601 HydrophobicContact CD2-CE2 4.2Å; W12-Y601 AromaticContact CD2-CZ 3.41Å; W12-Y601 VanDerWaalsContact CD2-CZ 3.41Å; W12-Y601 AromaticContact CE2-CD1 3.45Å; W12-Y601 VanDerWaalsContact CE2-CD1 3.45Å; W12-Y601 AromaticContact CE2-CE1 3.32Å; W12-Y601 HydrophobicContact CE3-CD1 4.04Å; W12-Y601 HydrophobicContact CE3-CD2 4.17Å; W12-Y601 AromaticContact CE3-CE1 3.49Å; W12-Y601 HydrophobicContact CE3-CE1 3.49Å; W12-Y601 VanDerWaalsContact CE3-CE1 3.49Å; W12-Y601 AromaticContact CE3-CE2 3.61Å; W12-Y601 HydrophobicContact CE3-CE2 3.61Å; W12-Y601 HydrophobicContact CE3-CG 4.37Å; W12-Y601 AromaticContact CE3-CZ 3.24Å; W12-Y601 HydrophobicContact CG-CD1 4.4Å; W12-Y601 AromaticContact CG-CE1 3.48Å; W12-Y601 HydrophobicContact CG-CE1 3.48Å; W12-Y601 VanDerWaalsContact CG-CE1 3.48Å; W12-Y601 AromaticContact CG-CZ 3.81Å; W12-Y601 AromaticContact CH2-CD1 3.72Å; W12-Y601 HydrophobicContact CH2-CD1 3.72Å; W12-Y601 AromaticContact CH2-CD2 3.93Å; W12-Y601 HydrophobicContact CH2-CD2 3.93Å; W12-Y601 HydrophobicContact CH2-CE1 4.06Å; W12-Y601 HydrophobicContact CH2-CE2 4.23Å; W12-Y601 AromaticContact CH2-CG 3.67Å; W12-Y601 HydrophobicContact CH2-CG 3.67Å; W12-Y601 AromaticContact CZ2-CD1 3.44Å; W12-Y601 HydrophobicContact CZ2-CD1 3.44Å; W12-Y601 VanDerWaalsContact CZ2-CD1 3.44Å; W12-Y601 HydrophobicContact CZ2-CD2 4.5Å; W12-Y601 AromaticContact CZ2-CE1 3.8Å; W12-Y601 HydrophobicContact CZ2-CE1 3.8Å; W12-Y601 AromaticContact CZ2-CG 3.86Å; W12-Y601 HydrophobicContact CZ2-CG 3.86Å; W12-Y601 AromaticContact CZ3-CD1 4Å; W12-Y601 HydrophobicContact CZ3-CD1 4Å; W12-Y601 AromaticContact CZ3-CD2 3.74Å; W12-Y601 HydrophobicContact CZ3-CD2 3.74Å; W12-Y601 AromaticContact CZ3-CE1 3.91Å; W12-Y601 HydrophobicContact CZ3-CE1 3.91Å; W12-Y601 AromaticContact CZ3-CE2 3.62Å; W12-Y601 HydrophobicContact CZ3-CE2 3.62Å; W12-Y601 AromaticContact CZ3-CG 3.94Å; W12-Y601 HydrophobicContact CZ3-CG 3.94Å; W12-Y601 AromaticContact CZ3-CZ 3.71Å; W12-Y601 AromaticContact NE1-CD1 3.89Å; W12-Y601 AromaticContact NE1-CE1 3.65Å; W19-Y601 AromaticContact CE2-CE2 3.65Å; W19-Y601 AromaticContact CE2-CZ 3.94Å; W19-Y601 WeakPolarHBondContact CH2-OH 3.36Å; W19-Y601 AromaticContact CZ2-CE2 3.65Å; W19-Y601 HydrophobicContact CZ2-CE2 3.65Å; W19-Y601 AromaticContact CZ2-CZ 3.74Å; W19-Y601 WeakPolarHBondContact CZ2-OH 3.41Å; W19-Y601 AromaticContact NE1-CE2 3.65Å; P599-Y601 PolarHBondContact O-N 2.96Å
602G51.7Low83.8Confident51 Ų5148.6 Ų48.653%0.52626%0.257SS..SBendtrans69.4-149.3179.900000112.4
603G63.9Low83.7Confident62 Ų6248 Ų4864%0.63925%0.251SS*.  trans74.6170.6-172.600000113.4
604K77.5Confident83.6Confident130 Ų13049.2 Ų49.257%0.56526%0.261SS*.  trans-90.3153.5173.1-58.5-169.6-180178.90109.9E627K604-E627 HydrophobicContact CD-CG 4.08Å; K604-E627 WeakPolarHBondContact CD-OE1 3.38Å; K604-E627 WeakPolarHBondContact CD-OE2 3.44Å; K604-E627 WeakPolarHBondContact CE-OE1 3.5Å; K604-E627 IonicContact NZ-OE1 2.71Å; K604-E627 PolarHBondContact NZ-OE1 3.47Å
605K85.2Confident83.6Confident78 Ų7848.9 Ų48.934%0.33926%0.263SS..SBendtrans-68.3168.2162.4-68.5-176.2169.9-165.30109.8W573 K598 R607W573-K605 HydrophobicContact CE3-CD 3.9Å; W573-K605 HydrophobicContact CH2-CD 3.84Å; W573-K605 HydrophobicContact CH2-CG 3.97Å; W573-K605 HydrophobicContact CZ2-CD 4.49Å; W573-K605 HydrophobicContact CZ3-CB 4.47Å; W573-K605 HydrophobicContact CZ3-CD 3.48Å; W573-K605 VanDerWaalsContact CZ3-CD 3.48Å; W573-K605 VanDerWaalsContact CZ3-CE 3.46Å; W573-K605 HydrophobicContact CZ3-CG 3.94Å; K598-K605 HydrophobicContact CD-CG 4.25Å; K605-R607 PolarHBondContact O-N 3.01Å
606H88.9Confident83.3Confident26 Ų2657 Ų5712%0.1231%0.307CS..SBendtrans57.721.1166.2-43-74000115.3V574 V608 E627 W628 N629V574-H606 PolarHBondContact O-CE1 3Å; H606-V608 PolarHBondContact O-N 3.18Å; H606-E627 CarbonylContact O-C 3.58Å; H606-E627 VanDerWaalsContact O-CA 3.3Å; H606-E627 WeakPolarHBondContact O-CA 3.42Å; H606-W628 HydrophobicContact CB-CD2 4.25Å; H606-W628 HydrophobicContact CB-CG 4.26Å; H606-W628 HydrophobicContact CB-CZ2 4.35Å; H606-W628 AromaticContact ND1-CE2 3.62Å; H606-W628 AromaticContact ND1-CH2 3.91Å; H606-W628 AromaticContact ND1-CZ2 3.23Å; H606-W628 WeakPolarHBondContact ND1-CZ2 3.48Å; H606-W628 AromaticContact ND1-NE1 3.96Å; H606-W628 PolarHBondContact O-N 3.17Å; H606-N629 VanDerWaalsContact CB-OD1 3.28Å; H606-N629 WeakPolarHBondContact CB-OD1 3.26Å; H606-N629 PolarHBondContact CD2-ND2 2.78Å; H606-N629 VanDerWaalsContact CD2-ND2 3.26Å; H606-N629 PolarHBondContact CD2-OD1 3.07Å; H606-N629 PolarHBondContact NE2-ND2 3.26Å
607R93.8Very high83.4Confident96 Ų9659 Ų5936%0.36232%0.319SS..EExtended strand (participates in β ladder)trans-66.4137.1-179.2176.7-178.273.9-152.5-2.2109.5H596 K605 G626H596-R607 HydrophobicContact CB-CB 4.04Å; H596-R607 HydrophobicContact CB-CG 4.33Å; H596-R607 WeakPolarHBondContact CB-O 3.38Å; H596-R607 PolarHBondContact CD2-O 2.87Å; H596-R607 PolarHBondContact N-O 3.11Å; H596-R607 PolarHBondContact ND1-NE 2.85Å; H596-R607 PolarHBondContact ND1-NH2 2.94Å; K605-R607 PolarHBondContact O-N 3.01Å; R607-G626 CarbonylContact C-O 3.57Å; R607-G626 VanDerWaalsContact CA-O 3.28Å; R607-G626 WeakPolarHBondContact CA-O 3.45Å
608V96.2Very high83.5Confident1 Ų167.5 Ų67.51%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-130.8144.7172.664.80000109.7L438 I593 M594 F595 H606 G626 W628 M632L438-V608 HydrophobicContact CD2-CG2 3.8Å; I593-V608 HydrophobicContact CG2-CG2 3.97Å; M594-V608 WeakPolarHBondContact O-CA 3.31Å; F595-V608 HydrophobicContact CD1-CG2 4.21Å; F595-V608 HydrophobicContact CE1-CG2 4.2Å; F595-V608 HydrophobicContact CG-CG2 4.39Å; F595-V608 HydrophobicContact CZ-CG2 4.37Å; H606-V608 PolarHBondContact O-N 3.18Å; V608-G626 PolarHBondContact N-O 3.01Å; V608-G626 PolarHBondContact O-N 3.13Å; V608-W628 HydrophobicContact CB-CB 4.37Å; V608-W628 HydrophobicContact CG1-CB 4.07Å; V608-M632 HydrophobicContact CG1-CG 3.89Å; V608-M632 HydrophobicContact CG1-SD 3.53Å; V608-M632 VanDerWaalsContact CG1-SD 3.53Å
609T96.9Very high84.1Confident46 Ų4670.2 Ų70.228%0.28237%0.365SS..EExtended strand (participates in β ladder)trans-134.3136.4167.856.40000109.7M594 H596 I624 E625M594-T609 PolarHBondContact N-O 3.42Å; M594-T609 PolarHBondContact O-N 2.86Å; H596-T609 PolarHBondContact NE2-OG1 3.03Å; T609-I624 CarbonylContact C-O 3.54Å; T609-I624 WeakPolarHBondContact CA-O 3.43Å; T609-E625 HydrophobicContact CG2-CB 4.13Å
610A98Very high85.4Confident1 Ų169.2 Ų69.21%0.00836%0.359CS..EExtended strand (participates in β ladder)trans-128.8146175.300000111.2V434 L438 T592 I593 S623 I624V434-A610 HydrophobicContact CG1-CB 4.45Å; L438-A610 HydrophobicContact CD1-CB 4.36Å; T592-A610 CarbonylContact O-C 3.58Å; T592-A610 VanDerWaalsContact O-CA 3.31Å; T592-A610 WeakPolarHBondContact O-CA 3.44Å; I593-A610 HydrophobicContact CB-CB 4.31Å; I593-A610 HydrophobicContact CG1-CB 3.82Å; I593-A610 HydrophobicContact CG2-CB 4.24Å; A610-S623 CarbonylContact O-C 3.51Å; A610-S623 WeakPolarHBondContact O-CA 3.47Å; A610-I624 HydrophobicContact CB-CB 4.22Å; A610-I624 HydrophobicContact CB-CD1 4.29Å; A610-I624 PolarHBondContact N-O 2.96Å; A610-I624 PolarHBondContact O-N 2.91Å
611E97.2Very high87.3Confident83 Ų8368.8 Ų68.839%0.38836%0.358SS..EExtended strand (participates in β ladder)trans-128.2132.2174.2-71.5-154.9-169.400109.9A591 T592 F613 S620A591-E611 CarbonylContact C-O 3.45Å; A591-E611 WeakPolarHBondContact CA-O 3.4Å; A591-E611 WeakPolarHBondContact CB-O 2.97Å; T592-E611 PolarHBondContact N-O 3.41Å; T592-E611 PolarHBondContact O-N 3.01Å; E611-F613 HydrophobicContact CB-CE2 3.84Å; E611-F613 HydrophobicContact CB-CZ 3.65Å; E611-F613 WeakPolarHBondContact O-CE2 3.44Å; E611-S620 VanDerWaalsContact CD-OG 3.31Å; E611-S620 VanDerWaalsContact OE2-CB 3.25Å; E611-S620 WeakPolarHBondContact OE2-CB 3.41Å; E611-S620 PolarHBondContact OE2-OG 3.22Å
612I97.4Very high89.5Confident0 Ų066 Ų660%035%0.349CS..EExtended strand (participates in β ladder)trans-114.8126.1-177.1-44.3-178.2000109.3M430 V431 V434 A591 S620 F621 C622 I624M430-I612 HydrophobicContact CG-CG2 3.57Å; V431-I612 HydrophobicContact CG2-CD1 4.02Å; V434-I612 HydrophobicContact CB-CD1 3.98Å; V434-I612 HydrophobicContact CG1-CD1 4.05Å; V434-I612 HydrophobicContact CG2-CD1 3.89Å; V434-I612 HydrophobicContact CG2-CG1 4.21Å; A591-I612 HydrophobicContact CB-CB 4.37Å; A591-I612 HydrophobicContact CB-CG1 4.06Å; A591-I612 HydrophobicContact CB-CG2 4.26Å; I612-S620 CarbonylContact O-C 3.59Å; I612-S620 WeakPolarHBondContact O-CA 3.03Å; I612-S620 WeakPolarHBondContact O-CB 3.35Å; I612-F621 HydrophobicContact CB-CE1 4.19Å; I612-F621 HydrophobicContact CB-CZ 4.05Å; I612-F621 HydrophobicContact CG2-CE1 3.65Å; I612-F621 HydrophobicContact CG2-CE2 4.3Å; I612-F621 HydrophobicContact CG2-CZ 3.45Å; I612-F621 VanDerWaalsContact CG2-CZ 3.45Å; I612-F621 VanDerWaalsContact O-CD1 3.29Å; I612-F621 WeakPolarHBondContact O-CD1 3.34Å; I612-F621 PolarHBondContact O-N 3.36Å; I612-C622 HydrophobicContact CB-CB 4.17Å; I612-C622 HydrophobicContact CD1-CB 4.08Å; I612-C622 HydrophobicContact CG1-CB 4.2Å; I612-C622 PolarHBondContact N-O 3.2Å; I612-I624 HydrophobicContact CD1-CD1 4.11Å
613F97.1Very high91.6Very high30 Ų3064.8 Ų64.813%0.13233%0.333CS..EExtended strand (participates in β ladder)trans-109.9144.1-170.7-57.1-83.9000111.7Y589 S590 E611Y589-F613 VanDerWaalsContact CD1-O 3.28Å; Y589-F613 WeakPolarHBondContact CD1-O 3.31Å; S590-F613 PolarHBondContact O-N 2.82Å; E611-F613 HydrophobicContact CB-CE2 3.84Å; E611-F613 HydrophobicContact CB-CZ 3.65Å; E611-F613 WeakPolarHBondContact O-CE2 3.44Å
614A96.4Very high93.2Very high25 Ų2561.9 Ų61.921%0.20730%0.302CS..  trans-85.7160172.100000110.4Y589 N616 D617 F621Y589-A614 HydrophobicContact CE1-CB 4.34Å; A614-N616 PolarHBondContact O-N 2.82Å; A614-N616 VanDerWaalsContact O-N 3.14Å; A614-D617 HydrophobicContact CB-CB 4.17Å; A614-D617 PolarHBondContact O-N 3.42Å; A614-F621 HydrophobicContact CB-CD1 4.07Å
615P95.9Very high94Very high46 Ų4658.8 Ų58.830%0.29929%0.29SS..THydrogen-bonded Turntrans-57.3120.1-175.8-26.436.1000112.8T587 G588 Y589 D617T587-P615 WeakPolarHBondContact O-CG 3.47Å; G588-P615 WeakPolarHBondContact O-CA 3.18Å; Y589-P615 HydrophobicContact CD2-CG 3.66Å; Y589-P615 HydrophobicContact CE2-CG 3.62Å; Y589-P615 HydrophobicContact CG-CG 4.28Å; P615-D617 PolarHBondContact O-N 3.41Å
616N91.4Very high94.5Very high172 Ų17255.9 Ų55.992%0.9228%0.282SS*.THydrogen-bonded Turntrans66.85.7-175.6-44.5-84.2000116.2A614A614-N616 PolarHBondContact O-N 2.82Å; A614-N616 VanDerWaalsContact O-N 3.14Å
617D91.4Very high94.8Very high82 Ų8256.8 Ų56.844%0.43929%0.286SS..  trans-87.4141.3172.5-159.3-12.7000110.9A614 P615 K619A614-D617 HydrophobicContact CB-CB 4.17Å; A614-D617 PolarHBondContact O-N 3.42Å; P615-D617 PolarHBondContact O-N 3.41Å; D617-K619 WeakPolarHBondContact OD1-CB 3.45Å; D617-K619 PolarHBondContact OD1-N 3.18Å
618K89.3Confident94.8Very high201 Ų20152.3 Ų52.387%0.87427%0.269SS*.SBendtrans-94.5-8.9171.1-65.2-167.9176.3-168.80112.7
619K92.1Very high94.5Very high156 Ų15654.4 Ų54.468%0.67828%0.28SS*.SBendtrans-95130.6174.4-170.8-177.9177-174.70109.4D617D617-K619 WeakPolarHBondContact OD1-CB 3.45Å; D617-K619 PolarHBondContact OD1-N 3.18Å
620S93.8Very high94.3Very high26 Ų2652.5 Ų52.518%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-71.1137.1172.348.80000111.3E611 I612E611-S620 VanDerWaalsContact CD-OG 3.31Å; E611-S620 VanDerWaalsContact OE2-CB 3.25Å; E611-S620 WeakPolarHBondContact OE2-CB 3.41Å; E611-S620 PolarHBondContact OE2-OG 3.22Å; I612-S620 CarbonylContact O-C 3.59Å; I612-S620 WeakPolarHBondContact O-CA 3.03Å; I612-S620 WeakPolarHBondContact O-CB 3.35Å
621F92.6Very high94.2Very high57 Ų5753.6 Ų53.625%0.2528%0.276CS..EExtended strand (participates in β ladder)trans-93.2-13.6174.771.5-99.6000112.5R427 V431 Y589 I612 A614R427-F621 HydrophobicContact CG-CD2 4.41Å; R427-F621 HydrophobicContact CG-CE1 4.43Å; R427-F621 HydrophobicContact CG-CE2 3.67Å; R427-F621 HydrophobicContact CG-CZ 3.67Å; V431-F621 HydrophobicContact CG2-CE2 3.87Å; V431-F621 HydrophobicContact CG2-CZ 4.25Å; Y589-F621 AromaticContact CD1-CE1 3.77Å; Y589-F621 HydrophobicContact CD1-CE1 3.77Å; Y589-F621 HydrophobicContact CD1-CZ 4.18Å; Y589-F621 AromaticContact CE1-CE1 3.64Å; Y589-F621 HydrophobicContact CE1-CE1 3.64Å; Y589-F621 HydrophobicContact CE1-CZ 4.02Å; I612-F621 HydrophobicContact CB-CE1 4.19Å; I612-F621 HydrophobicContact CB-CZ 4.05Å; I612-F621 HydrophobicContact CG2-CE1 3.65Å; I612-F621 HydrophobicContact CG2-CE2 4.3Å; I612-F621 HydrophobicContact CG2-CZ 3.45Å; I612-F621 VanDerWaalsContact CG2-CZ 3.45Å; I612-F621 VanDerWaalsContact O-CD1 3.29Å; I612-F621 WeakPolarHBondContact O-CD1 3.34Å; I612-F621 PolarHBondContact O-N 3.36Å; A614-F621 HydrophobicContact CB-CD1 4.07Å
622C92.8Very high94.1Very high18 Ų1849.6 Ų49.612%0.12226%0.257CS..EExtended strand (participates in β ladder)trans-139.5130.7170.8-170.30000108.1I612I612-C622 HydrophobicContact CB-CB 4.17Å; I612-C622 HydrophobicContact CD1-CB 4.08Å; I612-C622 HydrophobicContact CG1-CB 4.2Å; I612-C622 PolarHBondContact N-O 3.2Å
623S95.4Very high94.1Very high25 Ų2553.9 Ų53.918%0.17527%0.274CS..EExtended strand (participates in β ladder)trans-123.8129.1173.1176.70000107.5A610 S634 K635A610-S623 CarbonylContact O-C 3.51Å; A610-S623 WeakPolarHBondContact O-CA 3.47Å; S623-S634 CarbonylContact O-C 3.57Å; S623-S634 WeakPolarHBondContact O-CA 3.31Å; S623-K635 PolarHBondContact O-N 2.89Å
624I97.1Very high94Very high1 Ų153.2 Ų53.21%0.00527%0.273CS..EExtended strand (participates in β ladder)trans-119.2135.8-174.9-61.1151.4000108V434 L438 T609 A610 I612 M632 Y633 F644V434-I624 HydrophobicContact CG1-CD1 3.88Å; L438-I624 HydrophobicContact CD1-CD1 4.47Å; L438-I624 HydrophobicContact CD1-CG2 4.25Å; T609-I624 CarbonylContact C-O 3.54Å; T609-I624 WeakPolarHBondContact CA-O 3.43Å; A610-I624 HydrophobicContact CB-CB 4.22Å; A610-I624 HydrophobicContact CB-CD1 4.29Å; A610-I624 PolarHBondContact N-O 2.96Å; A610-I624 PolarHBondContact O-N 2.91Å; I612-I624 HydrophobicContact CD1-CD1 4.11Å; I624-M632 HydrophobicContact CG2-CB 4.14Å; I624-Y633 CarbonylContact C-O 3.56Å; I624-Y633 VanDerWaalsContact CA-O 3.24Å; I624-Y633 WeakPolarHBondContact CA-O 3.46Å; I624-F644 HydrophobicContact CD1-CD1 3.98Å; I624-F644 HydrophobicContact CD1-CD2 4.42Å; I624-F644 HydrophobicContact CD1-CE1 3.6Å; I624-F644 HydrophobicContact CD1-CE2 4.07Å; I624-F644 HydrophobicContact CD1-CG 4.39Å; I624-F644 HydrophobicContact CD1-CZ 3.64Å; I624-F644 HydrophobicContact CG1-CD1 4.2Å; I624-F644 HydrophobicContact CG1-CD2 4.44Å; I624-F644 HydrophobicContact CG1-CE1 4.31Å; I624-F644 HydrophobicContact CG1-CG 4.28Å; I624-F644 HydrophobicContact CG1-CZ 4.48Å; I624-F644 HydrophobicContact CG2-CD1 3.92Å; I624-F644 HydrophobicContact CG2-CG 4.36Å
625E95.9Very high93.7Very high65 Ų6556 Ų5630%0.30428%0.28SS..EExtended strand (participates in β ladder)trans-140.1146.6175.672.4-173.3168.400111.6T609 Y633 K635 N641T609-E625 HydrophobicContact CG2-CB 4.13Å; E625-Y633 PolarHBondContact N-O 3.1Å; E625-Y633 PolarHBondContact O-N 2.84Å; E625-K635 WeakPolarHBondContact OE1-CE 3.34Å; E625-K635 IonicContact OE1-NZ 2.94Å; E625-K635 PolarHBondContact OE1-NZ 2.85Å; E625-K635 WeakPolarHBondContact OE2-CE 3.4Å; E625-K635 IonicContact OE2-NZ 3.81Å; E625-K635 PolarHBondContact OE2-NZ 3.49Å; E625-N641 PolarHBondContact OE1-ND2 2.86Å
626G94.8Very high92.6Very high16 Ų1657.5 Ų57.517%0.16529%0.286CS..EExtended strand (participates in β ladder)trans161.7-144.117300000113.6R607 V608 V631R607-G626 CarbonylContact C-O 3.57Å; R607-G626 VanDerWaalsContact CA-O 3.28Å; R607-G626 WeakPolarHBondContact CA-O 3.45Å; V608-G626 PolarHBondContact N-O 3.01Å; V608-G626 PolarHBondContact O-N 3.13Å; G626-V631 WeakPolarHBondContact CA-O 3.29Å
627E94.4Very high91.6Very high46 Ų4655 Ų5522%0.21529%0.289CS..EExtended strand (participates in β ladder)trans-124.7123.4-178.1-72.6160.7-94.600109.5K604 H606 N629 A630 V631K604-E627 HydrophobicContact CD-CG 4.08Å; K604-E627 WeakPolarHBondContact CD-OE1 3.38Å; K604-E627 WeakPolarHBondContact CD-OE2 3.44Å; K604-E627 WeakPolarHBondContact CE-OE1 3.5Å; K604-E627 IonicContact NZ-OE1 2.71Å; K604-E627 PolarHBondContact NZ-OE1 3.47Å; H606-E627 CarbonylContact O-C 3.58Å; H606-E627 VanDerWaalsContact O-CA 3.3Å; H606-E627 WeakPolarHBondContact O-CA 3.42Å; E627-N629 PolarHBondContact O-N 3.15Å; E627-N629 VanDerWaalsContact O-N 3.16Å; E627-A630 HydrophobicContact CB-CB 3.94Å; E627-A630 CarbonylContact O-C 3.58Å; E627-A630 PolarHBondContact O-N 2.96Å; E627-V631 PolarHBondContact N-O 3.14Å; E627-V631 PolarHBondContact O-N 2.83Å
628W93.8Very high90.7Very high2 Ų256.4 Ų56.41%0.00830%0.301CS..THydrogen-bonded Turntrans-67.5-17.4-171.262.4-107.8000114.4F441 R445 L576 F595 H606 V608F441-W628 HydrophobicContact CB-CE3 4.13Å; F441-W628 WeakPolarHBondContact O-CZ3 3.4Å; R445-W628 HydrophobicContact CB-CH2 4.32Å; R445-W628 HydrophobicContact CB-CZ3 4.32Å; L576-W628 HydrophobicContact CB-CZ2 4.27Å; L576-W628 HydrophobicContact CD1-CD2 4.03Å; L576-W628 HydrophobicContact CD1-CE3 4.36Å; L576-W628 HydrophobicContact CD1-CH2 4.2Å; L576-W628 HydrophobicContact CD1-CZ2 3.79Å; L576-W628 HydrophobicContact CD1-CZ3 4.45Å; L576-W628 HydrophobicContact CG-CH2 4.35Å; L576-W628 HydrophobicContact CG-CZ2 3.69Å; F595-W628 AromaticContact CD1-CD1 3.64Å; F595-W628 HydrophobicContact CD1-CG 4.23Å; F595-W628 HydrophobicContact CE1-CB 4.11Å; F595-W628 AromaticContact CE1-CD1 3.91Å; F595-W628 HydrophobicContact CE1-CG 4.05Å; H606-W628 HydrophobicContact CB-CD2 4.25Å; H606-W628 HydrophobicContact CB-CG 4.26Å; H606-W628 HydrophobicContact CB-CZ2 4.35Å; H606-W628 AromaticContact ND1-CE2 3.62Å; H606-W628 AromaticContact ND1-CH2 3.91Å; H606-W628 AromaticContact ND1-CZ2 3.23Å; H606-W628 WeakPolarHBondContact ND1-CZ2 3.48Å; H606-W628 AromaticContact ND1-NE1 3.96Å; H606-W628 PolarHBondContact O-N 3.17Å; V608-W628 HydrophobicContact CB-CB 4.37Å; V608-W628 HydrophobicContact CG1-CB 4.07Å
629N91Very high89.9Confident44 Ų4449.9 Ų49.924%0.23529%0.29CS..THydrogen-bonded Turntrans-112.523171.564.2-6.8000113.2H442 H606 E627 K648H442-N629 HydrophobicContact CB-CB 4.33Å; H606-N629 VanDerWaalsContact CB-OD1 3.28Å; H606-N629 WeakPolarHBondContact CB-OD1 3.26Å; H606-N629 PolarHBondContact CD2-ND2 2.78Å; H606-N629 VanDerWaalsContact CD2-ND2 3.26Å; H606-N629 PolarHBondContact CD2-OD1 3.07Å; H606-N629 PolarHBondContact NE2-ND2 3.26Å; E627-N629 PolarHBondContact O-N 3.15Å; E627-N629 VanDerWaalsContact O-N 3.16Å; N629-K648 WeakPolarHBondContact O-CE 3.43Å
630A92.8Very high89.3Confident6 Ų648.6 Ų48.65%0.0529%0.287CS..SBendtrans-142.4-102.7169.300000111.7E627 T647 K648E627-A630 HydrophobicContact CB-CB 3.94Å; E627-A630 CarbonylContact O-C 3.58Å; E627-A630 PolarHBondContact O-N 2.96Å; A630-T647 WeakPolarHBondContact CA-OG1 3.42Å; A630-T647 PolarHBondContact N-OG1 3.5Å; A630-T647 VanDerWaalsContact N-OG1 3.15Å; A630-T647 PolarHBondContact O-N 3.18Å; A630-T647 PolarHBondContact O-OG1 3.2Å; A630-K648 HydrophobicContact CB-CD 4.06Å
631V95.2Very high89.1Confident24 Ų2450.6 Ų50.615%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-125.4135.7-173.8-1650000109.6G626 E627 Y633 T643 I645 D646G626-V631 WeakPolarHBondContact CA-O 3.29Å; E627-V631 PolarHBondContact N-O 3.14Å; E627-V631 PolarHBondContact O-N 2.83Å; V631-Y633 HydrophobicContact CB-CE2 4.02Å; V631-Y633 HydrophobicContact CG1-CD2 4.42Å; V631-Y633 HydrophobicContact CG1-CE1 3.94Å; V631-Y633 HydrophobicContact CG1-CE2 3.75Å; V631-Y633 VanDerWaalsContact CG1-CZ 3.48Å; V631-T643 HydrophobicContact CG1-CG2 3.93Å; V631-I645 WeakPolarHBondContact CA-O 3.32Å; V631-I645 WeakPolarHBondContact CG1-O 3.44Å; V631-D646 HydrophobicContact CG1-CB 4.34Å
632M96.5Very high89.1Confident0 Ų051 Ų510%030%0.302CS..EExtended strand (participates in β ladder)trans-121139175.2-68.4170.8-92.200109.1L438 V608 I624 F644 I645 T647L438-M632 HydrophobicContact CB-CE 4.24Å; L438-M632 HydrophobicContact CB-SD 4.01Å; L438-M632 HydrophobicContact CD1-SD 4.12Å; L438-M632 HydrophobicContact CD2-SD 4.24Å; L438-M632 HydrophobicContact CG-SD 4.36Å; V608-M632 HydrophobicContact CG1-CG 3.89Å; V608-M632 HydrophobicContact CG1-SD 3.53Å; V608-M632 VanDerWaalsContact CG1-SD 3.53Å; I624-M632 HydrophobicContact CG2-CB 4.14Å; M632-F644 WeakPolarHBondContact O-CA 3.34Å; M632-F644 WeakPolarHBondContact O-CB 3.47Å; M632-F644 PolarHBondContact O-N 2.87Å; M632-I645 HydrophobicContact CB-CB 4.42Å; M632-I645 HydrophobicContact CE-CB 3.99Å; M632-I645 HydrophobicContact CE-CD1 4.02Å; M632-I645 HydrophobicContact CE-CG2 3.85Å; M632-I645 PolarHBondContact N-O 3.32Å; M632-I645 PolarHBondContact O-N 3.08Å; M632-T647 HydrophobicContact CE-CG2 4.1Å
633Y96.4Very high89.3Confident89 Ų8953.9 Ų53.935%0.34932%0.32SS..EExtended strand (participates in β ladder)trans-122.6136.8-174.7-58.7-88.7000110.6I624 E625 V631 N641 V642I624-Y633 CarbonylContact C-O 3.56Å; I624-Y633 VanDerWaalsContact CA-O 3.24Å; I624-Y633 WeakPolarHBondContact CA-O 3.46Å; E625-Y633 PolarHBondContact N-O 3.1Å; E625-Y633 PolarHBondContact O-N 2.84Å; V631-Y633 HydrophobicContact CB-CE2 4.02Å; V631-Y633 HydrophobicContact CG1-CD2 4.42Å; V631-Y633 HydrophobicContact CG1-CE1 3.94Å; V631-Y633 HydrophobicContact CG1-CE2 3.75Å; V631-Y633 VanDerWaalsContact CG1-CZ 3.48Å; Y633-N641 HydrophobicContact CD1-CB 4.42Å; Y633-N641 HydrophobicContact CG-CB 4.41Å; Y633-V642 CarbonylContact C-O 3.51Å; Y633-V642 WeakPolarHBondContact CA-O 3.38Å
634S94.9Very high89.3Confident17 Ų1753.7 Ų53.712%0.11932%0.316CS..EExtended strand (participates in β ladder)trans-94.6130.7170.356.60000110.4S623 V642S623-S634 CarbonylContact O-C 3.57Å; S623-S634 WeakPolarHBondContact O-CA 3.31Å; S634-V642 PolarHBondContact N-O 3.03Å; S634-V642 PolarHBondContact O-N 3.37Å; S634-V642 PolarHBondContact OG-O 3.41Å
635K89.3Confident89.2Confident82 Ų8253.9 Ų53.936%0.35732%0.317SS..EExtended strand (participates in β ladder)trans-75.8121.1173-78.3164.5-177.3159.70110.8S623 E625 N641S623-K635 PolarHBondContact O-N 2.89Å; E625-K635 WeakPolarHBondContact OE1-CE 3.34Å; E625-K635 IonicContact OE1-NZ 2.94Å; E625-K635 PolarHBondContact OE1-NZ 2.85Å; E625-K635 WeakPolarHBondContact OE2-CE 3.4Å; E625-K635 IonicContact OE2-NZ 3.81Å; E625-K635 PolarHBondContact OE2-NZ 3.49Å; K635-N641 WeakPolarHBondContact CG-OD1 3.35Å
636L73.6Confident89.2Confident78 Ų7851.9 Ų51.941%0.40831%0.308SS..PPolyproline II helixtrans-75.3158.4167.2-64.4-175.2000111T638 G639 E640 V642L636-T638 WeakPolarHBondContact CB-OG1 3.39Å; L636-T638 PolarHBondContact O-N 3.22Å; L636-G639 PolarHBondContact O-N 3.02Å; L636-E640 WeakPolarHBondContact CB-O 3.46Å; L636-E640 HydrophobicContact CD1-CB 4.44Å; L636-E640 PolarHBondContact N-O 3.26Å; L636-V642 HydrophobicContact CD1-CG2 3.62Å; L636-V642 HydrophobicContact CD2-CG2 4.23Å; L636-V642 HydrophobicContact CG-CG2 3.8Å
637A71.4Confident89.1Confident120 Ų12051.4 Ų51.499%0.99230%0.302SS*.THydrogen-bonded Turntrans-61.9-13.1172.800000113.9G639A637-G639 VanDerWaalsContact C-N 3.34Å
638T71Confident88.8Confident111 Ų11156.5 Ų56.568%0.68132%0.324SS*.THydrogen-bonded Turntrans-79.4-12.1171.752.50000113.8L636 E640L636-T638 WeakPolarHBondContact CB-OG1 3.39Å; L636-T638 PolarHBondContact O-N 3.22Å; T638-E640 PolarHBondContact OG1-N 2.83Å
639G72.6Confident88.7Confident64 Ų6464.4 Ų64.466%0.6636%0.358SS*.SBendtrans85.75.1-171.100000114.6L636 A637L636-G639 PolarHBondContact O-N 3.02Å; A637-G639 VanDerWaalsContact C-N 3.34Å
640E80Confident88.6Confident129 Ų12964.7 Ų64.760%0.60336%0.358SS*.  trans-87.8139.9175.8-174.7171.6-164.100111.6L636 T638L636-E640 WeakPolarHBondContact CB-O 3.46Å; L636-E640 HydrophobicContact CD1-CB 4.44Å; L636-E640 PolarHBondContact N-O 3.26Å; T638-E640 PolarHBondContact OG1-N 2.83Å
641N88.9Confident88.4Confident69 Ų6968.4 Ų68.437%0.36939%0.389SS..EExtended strand (participates in β ladder)trans-94.1111177.9-83.915.1000110.4E625 Y633 K635E625-N641 PolarHBondContact OE1-ND2 2.86Å; Y633-N641 HydrophobicContact CD1-CB 4.42Å; Y633-N641 HydrophobicContact CG-CB 4.41Å; K635-N641 WeakPolarHBondContact CG-OD1 3.35Å
642V93.9Very high88.2Confident64 Ų6470.1 Ų70.139%0.38840%0.397SS..EExtended strand (participates in β ladder)trans-92.9144.3172.4174.10000109.7Y633 S634 L636 F644Y633-V642 CarbonylContact C-O 3.51Å; Y633-V642 WeakPolarHBondContact CA-O 3.38Å; S634-V642 PolarHBondContact N-O 3.03Å; S634-V642 PolarHBondContact O-N 3.37Å; S634-V642 PolarHBondContact OG-O 3.41Å; L636-V642 HydrophobicContact CD1-CG2 3.62Å; L636-V642 HydrophobicContact CD2-CG2 4.23Å; L636-V642 HydrophobicContact CG-CG2 3.8Å; V642-F644 PolarHBondContact O-N 3.43Å
643T95.6Very high88Confident79 Ų7972.1 Ų72.149%0.48541%0.407SS..EExtended strand (participates in β ladder)trans-66.8120.5176.2-56.90000110V631 D646V631-T643 HydrophobicContact CG1-CG2 3.93Å; T643-D646 HydrophobicContact CG2-CB 4.22Å
644F96.1Very high87.8Confident22 Ų2273.6 Ų73.610%0.09642%0.415CS..EExtended strand (participates in β ladder)trans-90.3-48.2178.7-173.6-111.6000111V431 K435 L438 I624 M632 V642V431-F644 HydrophobicContact CG1-CE2 3.83Å; V431-F644 HydrophobicContact CG1-CZ 4.27Å; K435-F644 HydrophobicContact CB-CE1 3.94Å; K435-F644 HydrophobicContact CB-CE2 4.43Å; K435-F644 HydrophobicContact CB-CZ 3.63Å; K435-F644 HydrophobicContact CD-CZ 4.5Å; K435-F644 VanDerWaalsContact CE-O 3.3Å; K435-F644 WeakPolarHBondContact CE-O 3.02Å; K435-F644 HydrophobicContact CG-CE1 3.99Å; K435-F644 HydrophobicContact CG-CE2 4.5Å; K435-F644 HydrophobicContact CG-CZ 3.94Å; L438-F644 HydrophobicContact CD1-CE1 4.12Å; I624-F644 HydrophobicContact CD1-CD1 3.98Å; I624-F644 HydrophobicContact CD1-CD2 4.42Å; I624-F644 HydrophobicContact CD1-CE1 3.6Å; I624-F644 HydrophobicContact CD1-CE2 4.07Å; I624-F644 HydrophobicContact CD1-CG 4.39Å; I624-F644 HydrophobicContact CD1-CZ 3.64Å; I624-F644 HydrophobicContact CG1-CD1 4.2Å; I624-F644 HydrophobicContact CG1-CD2 4.44Å; I624-F644 HydrophobicContact CG1-CE1 4.31Å; I624-F644 HydrophobicContact CG1-CG 4.28Å; I624-F644 HydrophobicContact CG1-CZ 4.48Å; I624-F644 HydrophobicContact CG2-CD1 3.92Å; I624-F644 HydrophobicContact CG2-CG 4.36Å; M632-F644 WeakPolarHBondContact O-CA 3.34Å; M632-F644 WeakPolarHBondContact O-CB 3.47Å; M632-F644 PolarHBondContact O-N 2.87Å; V642-F644 PolarHBondContact O-N 3.43Å
645I95.5Very high87.7Confident4 Ų474 Ų742%0.02142%0.415CS..EExtended strand (participates in β ladder)trans-144141178.2-63.5170.9000108.2K435 L438 V631 M632 T647 M650K435-I645 HydrophobicContact CG-CD1 3.92Å; K435-I645 HydrophobicContact CG-CG1 3.81Å; K435-I645 VanDerWaalsContact O-CD1 3.25Å; K435-I645 WeakPolarHBondContact O-CD1 3.48Å; L438-I645 HydrophobicContact CB-CD1 3.63Å; V631-I645 WeakPolarHBondContact CA-O 3.32Å; V631-I645 WeakPolarHBondContact CG1-O 3.44Å; M632-I645 HydrophobicContact CB-CB 4.42Å; M632-I645 HydrophobicContact CE-CB 3.99Å; M632-I645 HydrophobicContact CE-CD1 4.02Å; M632-I645 HydrophobicContact CE-CG2 3.85Å; M632-I645 PolarHBondContact N-O 3.32Å; M632-I645 PolarHBondContact O-N 3.08Å; I645-T647 HydrophobicContact CG2-CG2 3.7Å; I645-M650 HydrophobicContact CG2-SD 3.76Å
646D94.9Very high87.9Confident23 Ų2373.4 Ų73.412%0.12341%0.413CS..EExtended strand (participates in β ladder)trans-130.788.8169.2-171.6-24.2000109.2V631 T643 K648 K649 M650V631-D646 HydrophobicContact CG1-CB 4.34Å; T643-D646 HydrophobicContact CG2-CB 4.22Å; D646-K648 PolarHBondContact O-N 3.48Å; D646-K648 VanDerWaalsContact O-N 3.1Å; D646-K648 PolarHBondContact OD1-N 3.06Å; D646-K649 HydrophobicContact CB-CB 4.43Å; D646-K649 PolarHBondContact O-N 3.08Å; D646-K649 PolarHBondContact OD1-N 3.29Å; D646-K649 IonicContact OD2-NZ 2.66Å; D646-K649 PolarHBondContact OD2-NZ 3.34Å; D646-M650 WeakPolarHBondContact O-CG 3.42Å; D646-M650 PolarHBondContact O-N 3.39Å
647T92.4Very high88.8Confident7 Ų770.3 Ų70.34%0.04340%0.397CS..THydrogen-bonded Turntrans-61.2-19.4-175.762.30000113H442 A630 M632 I645H442-T647 HydrophobicContact CB-CG2 4.43Å; H442-T647 WeakPolarHBondContact CD2-CG2 3.47Å; H442-T647 PolarHBondContact NE2-O 3.34Å; A630-T647 WeakPolarHBondContact CA-OG1 3.42Å; A630-T647 PolarHBondContact N-OG1 3.5Å; A630-T647 VanDerWaalsContact N-OG1 3.15Å; A630-T647 PolarHBondContact O-N 3.18Å; A630-T647 PolarHBondContact O-OG1 3.2Å; M632-T647 HydrophobicContact CE-CG2 4.1Å; I645-T647 HydrophobicContact CG2-CG2 3.7Å
648K89.6Confident89.7Confident153 Ų15366.8 Ų66.867%0.66536%0.358SS*.THydrogen-bonded Turntrans-85.9-10.2178.3-67.9178.4177.3177.50113.4N629 A630 D646N629-K648 WeakPolarHBondContact O-CE 3.43Å; A630-K648 HydrophobicContact CB-CD 4.06Å; D646-K648 PolarHBondContact O-N 3.48Å; D646-K648 VanDerWaalsContact O-N 3.1Å; D646-K648 PolarHBondContact OD1-N 3.06Å
649K90.5Very high90.6Very high168 Ų16864 Ų6473%0.7334%0.336SS*.THydrogen-bonded Turntrans-109.4-16.9172.9-64.1-165.6-17586.80113.5D646 A651D646-K649 HydrophobicContact CB-CB 4.43Å; D646-K649 PolarHBondContact O-N 3.08Å; D646-K649 PolarHBondContact OD1-N 3.29Å; D646-K649 IonicContact OD2-NZ 2.66Å; D646-K649 PolarHBondContact OD2-NZ 3.34Å; K649-A651 PolarHBondContact O-N 3.43Å
650M89.2Confident91.4Very high49 Ų4962.9 Ų62.924%0.24132%0.315CS..  trans-80112.8178.7-71.7167.352.500110.4H413 L416 I645 D646H413-M650 HydrophobicContact CB-CE 4.48Å; H413-M650 VanDerWaalsContact NE2-C 3.32Å; H413-M650 WeakPolarHBondContact NE2-CB 3.27Å; H413-M650 PolarHBondContact NE2-O 3.21Å; H413-M650 VanDerWaalsContact NE2-O 3.07Å; L416-M650 HydrophobicContact CD1-CE 3.52Å; I645-M650 HydrophobicContact CG2-SD 3.76Å; D646-M650 WeakPolarHBondContact O-CG 3.42Å; D646-M650 PolarHBondContact O-N 3.39Å
651A89.7Confident91.9Very high85 Ų8563.2 Ų63.270%0.70232%0.317SS*.PPolyproline II helixtrans-66.7132.4168.100000109.6H413 K649H413-A651 PolarHBondContact CE1-O 3.47Å; H413-A651 PolarHBondContact NE2-O 2.89Å; K649-A651 PolarHBondContact O-N 3.43Å
652I91.3Very high92Very high60 Ų6062.2 Ų62.231%0.30831%0.311SS..PPolyproline II helixtrans-74.1145.4172.361.4172.1000109.8A412 H413 A443A412-I652 HydrophobicContact CB-CB 4.35Å; A412-I652 HydrophobicContact CB-CG2 4.21Å; H413-I652 VanDerWaalsContact NE2-CA 3.3Å; H413-I652 WeakPolarHBondContact NE2-CA 3.49Å; H413-I652 PolarHBondContact NE2-N 2.92Å; H413-I652 VanDerWaalsContact NE2-N 3.14Å; A443-I652 HydrophobicContact CB-CG2 3.47Å; A443-I652 VanDerWaalsContact CB-CG2 3.47Å
653I92.4Very high92Very high41 Ų4159.5 Ų59.521%0.2129%0.294CS..PPolyproline II helixtrans-88.8123.7168.4-53.5-172.9000106.7A412 P414 W466 P469A412-I653 PolarHBondContact O-N 3.18Å; P414-I653 HydrophobicContact CG-CB 3.94Å; P414-I653 HydrophobicContact CG-CD1 3.86Å; P414-I653 HydrophobicContact CG-CG1 4.27Å; P414-I653 HydrophobicContact CG-CG2 4.33Å; W466-I653 HydrophobicContact CB-CG2 4.23Å; W466-I653 HydrophobicContact CG-CG2 4.47Å; W466-I653 PolarHBondContact NE1-O 2.89Å; P469-I653 HydrophobicContact CG-CD1 4.41Å
654K91Very high91.8Very high120 Ų12060.1 Ų60.152%0.52229%0.294SS..PPolyproline II helixtrans-70.9135.8-179.5-69.7-163.6172.9-162.40110.9D357D357-K654 WeakPolarHBondContact OD2-CE 3.35Å; D357-K654 IonicContact OD2-NZ 2.69Å; D357-K654 PolarHBondContact OD2-NZ 3.4Å
655K92.7Very high91.7Very high25 Ų2564.2 Ų64.211%0.10931%0.314CS..PPolyproline II helixtrans-72.1137.7172.465.3-164.1176.1-164.50110.1E405 A408 D409 C464 W466 V657E405-K655 VanDerWaalsContact CG-NZ 3.28Å; E405-K655 PolarHBondContact O-NZ 3.27Å; E405-K655 WeakPolarHBondContact OE1-CE 3.37Å; E405-K655 IonicContact OE1-NZ 2.77Å; A408-K655 HydrophobicContact CB-CD 4.06Å; D409-K655 IonicContact OD1-NZ 3.86Å; D409-K655 PolarHBondContact OD1-NZ 2.67Å; C464-K655 HydrophobicContact CB-CB 4.19Å; W466-K655 HydrophobicContact CD2-CB 4.25Å; W466-K655 HydrophobicContact CH2-CB 4.34Å; W466-K655 HydrophobicContact CZ2-CB 3.6Å; W466-K655 HydrophobicContact CZ2-CD 4.29Å; K655-V657 HydrophobicContact CG-CG2 4.48Å
656K93.1Very high91.7Very high71 Ų7165.4 Ų65.431%0.30932%0.318SS..BIsolated β-bridgetrans-99.3128.6173.7-67.4-176.3173.1-178.50109.6T347 C464 H465 D467T347-K656 HydrophobicContact CG2-CB 3.77Å; T347-K656 HydrophobicContact CG2-CG 3.86Å; C464-K656 CarbonylContact C-O 3.53Å; C464-K656 WeakPolarHBondContact CA-O 3.2Å; C464-K656 VanDerWaalsContact CB-O 3.27Å; C464-K656 WeakPolarHBondContact CB-O 3.45Å; H465-K656 PolarHBondContact N-O 3.4Å; H465-K656 WeakPolarHBondContact O-CB 3.2Å; H465-K656 PolarHBondContact O-N 3.31Å; D467-K656 WeakPolarHBondContact OD2-CD 3.36Å; D467-K656 WeakPolarHBondContact OD2-CE 3.34Å; D467-K656 IonicContact OD2-NZ 2.64Å; D467-K656 PolarHBondContact OD2-NZ 3.1Å
657V92.9Very high91.8Very high13 Ų1364.4 Ų64.48%0.07931%0.312CS..  trans-122.1151.9-179.8-170.20000108.1F462 C464 K655F462-V657 HydrophobicContact CE2-CG1 4.15Å; F462-V657 HydrophobicContact CE2-CG2 4.15Å; F462-V657 HydrophobicContact CZ-CG2 3.78Å; C464-V657 HydrophobicContact CB-CG2 3.96Å; K655-V657 HydrophobicContact CG-CG2 4.48Å
658R90.7Very high92Very high46 Ų4664.1 Ų64.117%0.17431%0.311CS..  trans-64.1149.8171.8-70.8-167.9-67.7-164.2-1.3110.6W489 D662 Q663 E667W489-R658 HydrophobicContact CH2-CG 4.05Å; W489-R658 VanDerWaalsContact CH2-CZ 3.43Å; W489-R658 VanDerWaalsContact CZ2-CD 3.45Å; W489-R658 HydrophobicContact CZ2-CG 3.45Å; W489-R658 VanDerWaalsContact CZ2-CG 3.45Å; R658-D662 HydrophobicContact CB-CB 4.33Å; R658-Q663 HydrophobicContact CB-CG 4.12Å; R658-Q663 PolarHBondContact O-NE2 3.19Å; R658-E667 IonicContact CZ-OE1 3.34Å; R658-E667 IonicContact NE-OE1 2.73Å; R658-E667 IonicContact NE-OE2 2.71Å; R658-E667 IonicContact NH2-OE1 3.97Å; R658-E667 PolarHBondContact NH2-OE1 2.59Å; R658-E667 IonicContact NH2-OE2 3.89Å
659K90.2Very high92.3Very high52 Ų5257 Ų5723%0.22628%0.28CS..  trans-59.8148.8170.9-58.8175176.3173.20110.9S344 E661 D662 Q663S344-K659 WeakPolarHBondContact OG-CE 3.26Å; S344-K659 PolarHBondContact OG-NZ 2.84Å; K659-E661 HydrophobicContact CB-CG 3.86Å; K659-E661 HydrophobicContact CD-CG 4.05Å; K659-E661 WeakPolarHBondContact CD-OE1 3.39Å; K659-E661 IonicContact NZ-OE1 2.72Å; K659-E661 PolarHBondContact NZ-OE1 2.93Å; K659-E661 PolarHBondContact O-N 3.07Å; K659-D662 PolarHBondContact O-N 3.08Å; K659-Q663 WeakPolarHBondContact O-CG 3.48Å; K659-Q663 PolarHBondContact O-N 3.19Å
660L89.8Confident92.5Very high40 Ų4054 Ų5421%0.20926%0.264CS..THydrogen-bonded Turntrans-53-27.6178.9-65.8171.7000114.7F353 R669 R673F353-L660 HydrophobicContact CD2-CD2 4.31Å; F353-L660 HydrophobicContact CE2-CD1 4.33Å; F353-L660 HydrophobicContact CE2-CD2 3.98Å; L660-R669 VanDerWaalsContact CD2-C 3.48Å; L660-R669 HydrophobicContact CD2-CB 3.65Å; L660-R669 WeakPolarHBondContact CD2-O 3.47Å; L660-R673 HydrophobicContact CD1-CG 4.26Å
661E90Very high92.8Very high137 Ų13752.9 Ų52.964%0.6426%0.259SS*.THydrogen-bonded Turntrans-71.7-31.6175.960.3-165.9-171.800113.5K659K659-E661 HydrophobicContact CB-CG 3.86Å; K659-E661 HydrophobicContact CD-CG 4.05Å; K659-E661 WeakPolarHBondContact CD-OE1 3.39Å; K659-E661 IonicContact NZ-OE1 2.72Å; K659-E661 PolarHBondContact NZ-OE1 2.93Å; K659-E661 PolarHBondContact O-N 3.07Å
662D90.7Very high93.1Very high48 Ų4849 Ų4926%0.25723%0.226SC..THydrogen-bonded Turntrans-95.1-3.5-178.9-62.7-53.4000113.2R658 K659R658-D662 HydrophobicContact CB-CB 4.33Å; K659-D662 PolarHBondContact O-N 3.08Å
663Q93.4Very high93.3Very high6 Ų651.4 Ų51.43%0.02823%0.231CC..SBendtrans-81.3147.9-178.5-74.9-175.519.200113.2R658 K659 E667 R670R658-Q663 HydrophobicContact CB-CG 4.12Å; R658-Q663 PolarHBondContact O-NE2 3.19Å; K659-Q663 WeakPolarHBondContact O-CG 3.48Å; K659-Q663 PolarHBondContact O-N 3.19Å; Q663-E667 WeakPolarHBondContact CA-OE1 3.03Å; Q663-E667 HydrophobicContact CB-CB 3.95Å; Q663-E667 HydrophobicContact CG-CB 4.27Å; Q663-E667 WeakPolarHBondContact CG-OE2 3.47Å; Q663-R670 HydrophobicContact CB-CB 3.99Å; Q663-R670 WeakPolarHBondContact O-CD 3.46Å; Q663-R670 PolarHBondContact O-NH1 3.48Å
664L92.9Very high93.4Very high92 Ų9251.9 Ų51.948%0.48224%0.235SC..  trans-63.8155.2171.8-60.9174.8000111.7F463 Y666 E667 R670F463-L664 HydrophobicContact CE2-CD1 4.17Å; L664-Y666 PolarHBondContact O-N 3.21Å; L664-Y666 VanDerWaalsContact O-N 3.14Å; L664-E667 HydrophobicContact CB-CG 4.29Å; L664-E667 WeakPolarHBondContact CG-OE1 3.27Å; L664-E667 PolarHBondContact N-OE1 3.45Å; L664-E667 PolarHBondContact O-N 3.12Å; L664-R670 WeakPolarHBondContact O-CD 3.37Å
665E93.1Very high93.5Very high109 Ų10946.3 Ų46.351%0.50921%0.211SC..THydrogen-bonded Turntrans-53.3-39180-176.5-175.3157.500112.8L671 K697E665-L671 VanDerWaalsContact O-CD2 3.24Å; E665-L671 WeakPolarHBondContact O-CD2 3.47Å; E665-L671 WeakPolarHBondContact O-CG 3.43Å; E665-K697 IonicContact OE1-NZ 2.76Å; E665-K697 PolarHBondContact OE1-NZ 2.93Å
666Y95Very high93.5Very high29 Ų2945.1 Ų45.111%0.11421%0.205CC..THydrogen-bonded Turntrans-95.513.4-178.6-76.2-103.2000114.2I457 V461 L664 L671 K697 E701I457-Y666 HydrophobicContact CD1-CD1 4.2Å; I457-Y666 HydrophobicContact CD1-CE1 4.12Å; V461-Y666 WeakPolarHBondContact CG2-O 3.5Å; V461-Y666 PolarHBondContact N-O 3.39Å; L664-Y666 PolarHBondContact O-N 3.21Å; L664-Y666 VanDerWaalsContact O-N 3.14Å; Y666-L671 HydrophobicContact CD1-CD1 4.44Å; Y666-L671 WeakPolarHBondContact O-CD1 3.35Å; Y666-K697 PolarHBondContact OH-NZ 3.09Å; Y666-E701 PolarHBondContact OH-OE1 2.83Å; Y666-E701 VanDerWaalsContact OH-OE1 3.08Å; Y666-E701 PolarHBondContact OH-OE2 3.17Å
667E96.8Very high93.5Very high1 Ų144.7 Ų44.71%0.00521%0.206CC..BIsolated β-bridgetrans-74.2134.8171.3-100.8174.6-87.800111.4V461 F463 R658 Q663 L664 R669 R670 L671V461-E667 HydrophobicContact CG2-CG 4.12Å; V461-E667 CarbonylContact O-C 3.59Å; V461-E667 VanDerWaalsContact O-CA 3.25Å; V461-E667 WeakPolarHBondContact O-CA 3.44Å; F463-E667 HydrophobicContact CD2-CG 3.79Å; F463-E667 HydrophobicContact CE2-CG 4.15Å; R658-E667 IonicContact CZ-OE1 3.34Å; R658-E667 IonicContact NE-OE1 2.73Å; R658-E667 IonicContact NE-OE2 2.71Å; R658-E667 IonicContact NH2-OE1 3.97Å; R658-E667 PolarHBondContact NH2-OE1 2.59Å; R658-E667 IonicContact NH2-OE2 3.89Å; Q663-E667 WeakPolarHBondContact CA-OE1 3.03Å; Q663-E667 HydrophobicContact CB-CB 3.95Å; Q663-E667 HydrophobicContact CG-CB 4.27Å; Q663-E667 WeakPolarHBondContact CG-OE2 3.47Å; L664-E667 HydrophobicContact CB-CG 4.29Å; L664-E667 WeakPolarHBondContact CG-OE1 3.27Å; L664-E667 PolarHBondContact N-OE1 3.45Å; L664-E667 PolarHBondContact O-N 3.12Å; E667-R669 PolarHBondContact O-N 3.05Å; E667-R670 PolarHBondContact O-N 3.47Å; E667-L671 PolarHBondContact O-N 2.98Å
668S97.1Very high93.5Very high2 Ų245 Ų451%0.01421%0.207CC..Hα-helixtrans-48.7-49.4-170.7-62.10000114.4E460 V461 R670 L671 W672E460-S668 WeakPolarHBondContact OE1-CB 3.34Å; E460-S668 PolarHBondContact OE1-OG 3.25Å; V461-S668 PolarHBondContact O-N 3.39Å; V461-S668 PolarHBondContact O-OG 3.4Å; S668-R670 VanDerWaalsContact C-N 3.33Å; S668-R670 PolarHBondContact O-N 3.41Å; S668-L671 PolarHBondContact O-N 2.88Å; S668-W672 WeakPolarHBondContact O-CB 3.35Å; S668-W672 VanDerWaalsContact O-CD1 3.22Å; S668-W672 PolarHBondContact O-N 2.83Å
669R95.5Very high93.4Very high2 Ų243.1 Ų43.11%0.00820%0.2CC..Hα-helixtrans-68.1-32.9-177.5-62.6-173.1171.9-167.2-0.9111.9D351 F353 D354 E405 F462 L660 E667 R673D351-R669 IonicContact OD2-NH1 3.65Å; D351-R669 PolarHBondContact OD2-NH1 3.08Å; F353-R669 HydrophobicContact CB-CG 4.09Å; F353-R669 VanDerWaalsContact CB-NE 3.34Å; F353-R669 HydrophobicContact CD1-CB 4.12Å; F353-R669 HydrophobicContact CD1-CG 3.71Å; F353-R669 HydrophobicContact CD2-CB 3.83Å; F353-R669 HydrophobicContact CD2-CG 4.03Å; F353-R669 HydrophobicContact CE1-CB 4.06Å; F353-R669 HydrophobicContact CE1-CG 4.07Å; F353-R669 HydrophobicContact CE2-CB 3.79Å; F353-R669 HydrophobicContact CE2-CG 4.39Å; F353-R669 VanDerWaalsContact CE2-O 3.28Å; F353-R669 WeakPolarHBondContact CE2-O 3.48Å; F353-R669 HydrophobicContact CG-CB 4Å; F353-R669 HydrophobicContact CG-CG 3.67Å; F353-R669 HydrophobicContact CZ-CB 3.9Å; F353-R669 HydrophobicContact CZ-CG 4.4Å; F353-R669 WeakPolarHBondContact CZ-O 3.27Å; D354-R669 IonicContact OD1-CZ 2.65Å; D354-R669 VanDerWaalsContact OD1-CZ 3.27Å; D354-R669 IonicContact OD1-NH1 3.35Å; D354-R669 PolarHBondContact OD1-NH1 3.33Å; D354-R669 IonicContact OD1-NH2 3.61Å; D354-R669 PolarHBondContact OD1-NH2 3.49Å; D354-R669 IonicContact OD2-NH1 3.89Å; D354-R669 PolarHBondContact OD2-NH1 2.99Å; E405-R669 IonicContact OE1-CZ 3.72Å; E405-R669 IonicContact OE1-NE 2.68Å; E405-R669 PolarHBondContact OE1-NE 3.09Å; E405-R669 IonicContact OE1-NH2 2.68Å; E405-R669 PolarHBondContact OE1-NH2 3Å; E405-R669 WeakPolarHBondContact OE2-CG 3.48Å; E405-R669 IonicContact OE2-CZ 2.87Å; E405-R669 IonicContact OE2-NE 3.97Å; E405-R669 PolarHBondContact OE2-NE 3.43Å; E405-R669 IonicContact OE2-NH2 3.97Å; F462-R669 HydrophobicContact CE2-CG 4.45Å; L660-R669 VanDerWaalsContact CD2-C 3.48Å; L660-R669 HydrophobicContact CD2-CB 3.65Å; L660-R669 WeakPolarHBondContact CD2-O 3.47Å; E667-R669 PolarHBondContact O-N 3.05Å; R669-R673 WeakPolarHBondContact O-CA 3.28Å; R669-R673 WeakPolarHBondContact O-CB 3.17Å; R669-R673 PolarHBondContact O-N 2.72Å; R669-R673 VanDerWaalsContact O-N 3.17Å
670R95.6Very high93.2Very high105 Ų10543.6 Ų43.640%0.39620%0.203SC..Hα-helixtrans-73.5-41.6175.1177.5162.7166.61702112.7Q663 L664 E667 S668 R673Q663-R670 HydrophobicContact CB-CB 3.99Å; Q663-R670 WeakPolarHBondContact O-CD 3.46Å; Q663-R670 PolarHBondContact O-NH1 3.48Å; L664-R670 WeakPolarHBondContact O-CD 3.37Å; E667-R670 PolarHBondContact O-N 3.47Å; S668-R670 VanDerWaalsContact C-N 3.33Å; S668-R670 PolarHBondContact O-N 3.41Å; R670-R673 WeakPolarHBondContact O-CB 3.35Å
671L95.3Very high93.2Very high27 Ų2747.4 Ų47.414%0.14122%0.222CC..Hα-helixtrans-62.4-52.7174.5-76.3172.4000112I457 E460 E665 Y666 E667 S668 R673 L694I457-L671 HydrophobicContact CD1-CD1 3.78Å; I457-L671 HydrophobicContact CD1-CD2 3.98Å; I457-L671 HydrophobicContact CG1-CD1 3.95Å; E460-L671 HydrophobicContact CB-CD1 4.05Å; E460-L671 HydrophobicContact CG-CD1 3.74Å; E665-L671 VanDerWaalsContact O-CD2 3.24Å; E665-L671 WeakPolarHBondContact O-CD2 3.47Å; E665-L671 WeakPolarHBondContact O-CG 3.43Å; Y666-L671 HydrophobicContact CD1-CD1 4.44Å; Y666-L671 WeakPolarHBondContact O-CD1 3.35Å; E667-L671 PolarHBondContact O-N 2.98Å; S668-L671 PolarHBondContact O-N 2.88Å; L671-R673 VanDerWaalsContact C-N 3.28Å; L671-R673 PolarHBondContact O-N 2.77Å; L671-L694 HydrophobicContact CD2-CD1 4.23Å
672W95.8Very high93Very high2 Ų247 Ų471%0.00822%0.218CC..SBendtrans-85.93.5-172.9-65100000113.9Y454 N455 I457 E460 S668 D674 V675 T676 K691 L694Y454-W672 HydrophobicContact CD1-CE3 4.16Å; Y454-W672 HydrophobicContact CD1-CZ3 4.46Å; Y454-W672 HydrophobicContact CD2-CB 3.54Å; Y454-W672 AromaticContact CD2-CD1 3.96Å; Y454-W672 AromaticContact CD2-CD2 3.46Å; Y454-W672 HydrophobicContact CD2-CD2 3.46Å; Y454-W672 VanDerWaalsContact CD2-CD2 3.46Å; Y454-W672 AromaticContact CD2-CE3 3.73Å; Y454-W672 HydrophobicContact CD2-CE3 3.73Å; Y454-W672 AromaticContact CD2-CG 3.35Å; Y454-W672 HydrophobicContact CD2-CG 3.35Å; Y454-W672 HydrophobicContact CE2-CB 3.49Å; Y454-W672 VanDerWaalsContact CE2-CB 3.49Å; Y454-W672 HydrophobicContact CE2-CD2 4.18Å; Y454-W672 HydrophobicContact CE2-CE3 4.25Å; Y454-W672 AromaticContact CE2-CG 3.88Å; Y454-W672 HydrophobicContact CE2-CG 3.88Å; Y454-W672 AromaticContact CG-CD2 3.72Å; Y454-W672 HydrophobicContact CG-CD2 3.72Å; Y454-W672 AromaticContact CG-CE3 3.67Å; Y454-W672 HydrophobicContact CG-CE3 3.67Å; Y454-W672 HydrophobicContact CG-CG 4.13Å; Y454-W672 HydrophobicContact CG-CZ3 4.16Å; N455-W672 WeakPolarHBondContact O-CZ2 3.48Å; I457-W672 HydrophobicContact CG2-CZ2 4.13Å; E460-W672 VanDerWaalsContact CD-NE1 3.34Å; E460-W672 PolarHBondContact OE1-NE1 2.94Å; E460-W672 PolarHBondContact OE2-NE1 3.01Å; S668-W672 WeakPolarHBondContact O-CB 3.35Å; S668-W672 VanDerWaalsContact O-CD1 3.22Å; S668-W672 PolarHBondContact O-N 2.83Å; W672-D674 VanDerWaalsContact C-N 3.32Å; W672-D674 PolarHBondContact O-N 2.94Å; W672-V675 HydrophobicContact CE3-CB 4.23Å; W672-V675 HydrophobicContact CE3-CG2 3.9Å; W672-V675 HydrophobicContact CZ3-CG2 4.3Å; W672-V675 PolarHBondContact O-N 3.07Å; W672-T676 PolarHBondContact O-N 3.39Å; W672-K691 HydrophobicContact CZ3-CG 4.29Å; W672-L694 HydrophobicContact CD2-CD2 3.87Å; W672-L694 HydrophobicContact CE3-CD2 3.87Å; W672-L694 HydrophobicContact CH2-CD2 3.93Å; W672-L694 HydrophobicContact CZ2-CD2 3.94Å; W672-L694 HydrophobicContact CZ3-CD2 3.9Å
673R95Very high93Very high111 Ų11146.5 Ų46.542%0.41922%0.216SC..Hα-helixtrans-45.7-50.8-178-173.2-165.368-155.3-7.8113.2L660 R669 R670 L671 V675 T676 L677L660-R673 HydrophobicContact CD1-CG 4.26Å; R669-R673 WeakPolarHBondContact O-CA 3.28Å; R669-R673 WeakPolarHBondContact O-CB 3.17Å; R669-R673 PolarHBondContact O-N 2.72Å; R669-R673 VanDerWaalsContact O-N 3.17Å; R670-R673 WeakPolarHBondContact O-CB 3.35Å; L671-R673 VanDerWaalsContact C-N 3.28Å; L671-R673 PolarHBondContact O-N 2.77Å; R673-V675 VanDerWaalsContact C-N 3.33Å; R673-V675 PolarHBondContact O-N 3.28Å; R673-T676 PolarHBondContact O-N 2.79Å; R673-L677 VanDerWaalsContact O-CB 3.3Å; R673-L677 WeakPolarHBondContact O-CB 3.42Å; R673-L677 PolarHBondContact O-N 3.26Å
674D94.6Very high92.7Very high52 Ų5248 Ų4828%0.27822%0.224SC..Hα-helixtrans-74.4-26.2-173-66.30000111.8W672 N678 A690W672-D674 VanDerWaalsContact C-N 3.32Å; W672-D674 PolarHBondContact O-N 2.94Å; D674-N678 PolarHBondContact O-N 2.81Å; D674-N678 PolarHBondContact O-ND2 3.34Å; D674-A690 HydrophobicContact CB-CB 4.06Å
675V93.9Very high92.6Very high3 Ų350.2 Ų50.22%0.01824%0.236CC..Hα-helixtrans-72.2-49.1171.5-176.10000109.9Y454 W672 R673 L677 N678 L679 A690 K691Y454-V675 HydrophobicContact CE1-CG1 3.82Å; W672-V675 HydrophobicContact CE3-CB 4.23Å; W672-V675 HydrophobicContact CE3-CG2 3.9Å; W672-V675 HydrophobicContact CZ3-CG2 4.3Å; W672-V675 PolarHBondContact O-N 3.07Å; R673-V675 VanDerWaalsContact C-N 3.33Å; R673-V675 PolarHBondContact O-N 3.28Å; V675-L677 VanDerWaalsContact C-N 3.34Å; V675-L677 PolarHBondContact O-N 2.97Å; V675-N678 PolarHBondContact O-N 3.31Å; V675-L679 HydrophobicContact CG1-CD1 4.07Å; V675-L679 HydrophobicContact CG1-CG 4.49Å; V675-L679 WeakPolarHBondContact O-CB 3.5Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.45Å; V675-A690 HydrophobicContact CG2-CB 3.99Å; V675-K691 HydrophobicContact CG1-CB 4.47Å; V675-K691 HydrophobicContact CG2-CB 3.95Å
676T92.9Very high92.6Very high0 Ų052 Ų520%024%0.238CC..Hα-helixtrans-60.7-39.3177.2-68.90000112.6M352 F353 R400 Y454 W672 R673 K680M352-T676 HydrophobicContact CG-CG2 4.26Å; F353-T676 HydrophobicContact CD1-CG2 4.12Å; F353-T676 HydrophobicContact CD2-CG2 4.49Å; F353-T676 HydrophobicContact CE1-CG2 3.83Å; F353-T676 WeakPolarHBondContact CE1-OG1 3.21Å; F353-T676 HydrophobicContact CE2-CG2 4.2Å; F353-T676 HydrophobicContact CG-CG2 4.45Å; F353-T676 HydrophobicContact CZ-CG2 3.87Å; R400-T676 HydrophobicContact CB-CG2 4.3Å; R400-T676 PolarHBondContact O-OG1 3.35Å; Y454-T676 WeakPolarHBondContact OH-CA 3.48Å; Y454-T676 PolarHBondContact OH-N 2.96Å; Y454-T676 PolarHBondContact OH-OG1 2.91Å; W672-T676 PolarHBondContact O-N 3.39Å; R673-T676 PolarHBondContact O-N 2.79Å; T676-K680 PolarHBondContact O-N 2.69Å
677L92.5Very high92.5Very high62 Ų6250.7 Ų50.733%0.32523%0.233SC..Hα-helixtrans-57.4-55.117516759.9000111.5M352 R673 V675 K680 L681M352-L677 HydrophobicContact CE-CB 4.19Å; M352-L677 HydrophobicContact CE-CD1 3.67Å; M352-L677 HydrophobicContact SD-CB 4.23Å; M352-L677 HydrophobicContact SD-CD1 4.4Å; R673-L677 VanDerWaalsContact O-CB 3.3Å; R673-L677 WeakPolarHBondContact O-CB 3.42Å; R673-L677 PolarHBondContact O-N 3.26Å; V675-L677 VanDerWaalsContact C-N 3.34Å; V675-L677 PolarHBondContact O-N 2.97Å; L677-K680 PolarHBondContact O-N 3.47Å; L677-K680 VanDerWaalsContact O-N 3.17Å; L677-L681 HydrophobicContact CD1-CD1 3.84Å; L677-L681 HydrophobicContact CD1-CG 4.29Å; L677-L681 HydrophobicContact CG-CD1 4.35Å; L677-L681 WeakPolarHBondContact O-CG 3.12Å; L677-L681 PolarHBondContact O-N 2.99Å
678N92.4Very high92.3Very high18 Ų1852.7 Ų52.710%0.09625%0.246CC..Hα-helixtrans-70.4-34.6-176.8-69.7-67.6000111.8D674 V675 K680 L681 K682 D683 R686 A687D674-N678 PolarHBondContact O-N 2.81Å; D674-N678 PolarHBondContact O-ND2 3.34Å; V675-N678 PolarHBondContact O-N 3.31Å; N678-K680 VanDerWaalsContact C-N 3.28Å; N678-K680 PolarHBondContact O-N 3.02Å; N678-L681 CarbonylContact O-C 3.53Å; N678-L681 PolarHBondContact O-N 3Å; N678-K682 PolarHBondContact O-N 2.9Å; N678-K682 VanDerWaalsContact O-N 3.09Å; N678-D683 HydrophobicContact CB-CB 4.24Å; N678-D683 PolarHBondContact O-N 3.47Å; N678-R686 HydrophobicContact CB-CB 3.98Å; N678-R686 VanDerWaalsContact CG-CB 3.42Å; N678-R686 VanDerWaalsContact OD1-CB 3.28Å; N678-R686 WeakPolarHBondContact OD1-CB 3.31Å; N678-R686 WeakPolarHBondContact OD1-CD 3.37Å; N678-A687 HydrophobicContact CB-CB 3.74Å
679L88.6Confident92.1Very high7 Ų757.7 Ų57.74%0.03727%0.268CS..Hα-helixtrans-64.7-24.7170.5-79.1-179.8000114.5T395 L398 R400 Y454 V675 I684 A687T395-L679 HydrophobicContact CG2-CD2 4.11Å; T395-L679 HydrophobicContact CG2-CG 4.46Å; L398-L679 HydrophobicContact CB-CD1 4.12Å; R400-L679 HydrophobicContact CG-CB 4.28Å; R400-L679 PolarHBondContact NE-O 2.89Å; R400-L679 PolarHBondContact NH2-O 3.1Å; Y454-L679 HydrophobicContact CE1-CD1 4.02Å; V675-L679 HydrophobicContact CG1-CD1 4.07Å; V675-L679 HydrophobicContact CG1-CG 4.49Å; V675-L679 WeakPolarHBondContact O-CB 3.5Å; V675-L679 WeakPolarHBondContact O-CG 3.42Å; V675-L679 PolarHBondContact O-N 3.45Å; L679-I684 HydrophobicContact CD2-CD1 3.99Å; L679-A687 HydrophobicContact CD2-CB 4.04Å; L679-A687 HydrophobicContact CG-CB 3.89Å
680K86.9Confident92.1Very high63 Ų6358.1 Ų58.127%0.27427%0.272SS..Hα-helixtrans-79.4-35.8170.2-83.9-170.5158.3-172.10112.7M352 S355 T676 L677 N678 K682M352-K680 HydrophobicContact CE-CB 4.38Å; M352-K680 HydrophobicContact CE-CD 3.85Å; M352-K680 HydrophobicContact CG-CD 4.13Å; M352-K680 VanDerWaalsContact O-CE 3.22Å; M352-K680 WeakPolarHBondContact O-CE 3.09Å; M352-K680 PolarHBondContact O-NZ 2.59Å; S355-K680 WeakPolarHBondContact OG-CE 3.29Å; S355-K680 PolarHBondContact OG-NZ 3.23Å; T676-K680 PolarHBondContact O-N 2.69Å; L677-K680 PolarHBondContact O-N 3.47Å; L677-K680 VanDerWaalsContact O-N 3.17Å; N678-K680 VanDerWaalsContact C-N 3.28Å; N678-K680 PolarHBondContact O-N 3.02Å; K680-K682 PolarHBondContact O-N 3.38Å
681L89Confident92Very high119 Ų11954.3 Ų54.362%0.62326%0.259SS*.THydrogen-bonded Turntrans-75-1.6174.6-64.3175.5000113.5L677 N678 D683L677-L681 HydrophobicContact CD1-CD1 3.84Å; L677-L681 HydrophobicContact CD1-CG 4.29Å; L677-L681 HydrophobicContact CG-CD1 4.35Å; L677-L681 WeakPolarHBondContact O-CG 3.12Å; L677-L681 PolarHBondContact O-N 2.99Å; N678-L681 CarbonylContact O-C 3.53Å; N678-L681 PolarHBondContact O-N 3Å; L681-D683 HydrophobicContact CB-CB 4.38Å; L681-D683 PolarHBondContact O-N 2.92Å
682K86.4Confident91.8Very high128 Ų12855.7 Ų55.756%0.55726%0.264SS*.THydrogen-bonded Turntrans57.124.5-171.2-56.4-171177.8-173.10113.2N678 K680 I684N678-K682 PolarHBondContact O-N 2.9Å; N678-K682 VanDerWaalsContact O-N 3.09Å; K680-K682 PolarHBondContact O-N 3.38Å; K682-I684 PolarHBondContact O-N 3.37Å
683D89.4Confident91.8Very high38 Ų3862.2 Ų62.220%0.20329%0.289CS..  trans-88.481175.5-168.5-31000109.3N678 L681 D685 R686 A687N678-D683 HydrophobicContact CB-CB 4.24Å; N678-D683 PolarHBondContact O-N 3.47Å; L681-D683 HydrophobicContact CB-CB 4.38Å; L681-D683 PolarHBondContact O-N 2.92Å; D683-D685 VanDerWaalsContact C-N 3.27Å; D683-D685 PolarHBondContact O-N 3.23Å; D683-R686 HydrophobicContact CB-CB 4.44Å; D683-R686 VanDerWaalsContact OD1-CB 3.31Å; D683-R686 WeakPolarHBondContact OD1-CB 3.5Å; D683-R686 WeakPolarHBondContact OD1-CG 3.31Å; D683-R686 PolarHBondContact OD1-N 3.45Å; D683-R686 VanDerWaalsContact OD2-CD 3.23Å; D683-R686 WeakPolarHBondContact OD2-CD 3.42Å; D683-R686 WeakPolarHBondContact OD2-CG 3.34Å; D683-R686 IonicContact OD2-CZ 3.17Å; D683-R686 IonicContact OD2-NE 3.11Å; D683-R686 IonicContact OD2-NH1 3.64Å; D683-R686 PolarHBondContact OD2-NH1 3.5Å; D683-A687 VanDerWaalsContact O-CB 3.3Å; D683-A687 WeakPolarHBondContact O-CB 3.27Å; D683-A687 PolarHBondContact O-N 3.02Å
684I88.6Confident91.7Very high39 Ų3958 Ų5820%0.228%0.275CS..Hα-helixtrans-65.3-32.5-174.6-53.9-53.4000111.4F396 L679 K682 T688F396-I684 HydrophobicContact CB-CD1 3.87Å; F396-I684 HydrophobicContact CB-CG1 4.29Å; F396-I684 HydrophobicContact CB-CG2 4.22Å; L679-I684 HydrophobicContact CD2-CD1 3.99Å; K682-I684 PolarHBondContact O-N 3.37Å; I684-T688 WeakPolarHBondContact O-CB 3.4Å; I684-T688 PolarHBondContact O-N 3.37Å; I684-T688 PolarHBondContact O-OG1 3.34Å
685D89.9Confident91.5Very high137 Ų13757.5 Ų57.573%0.73327%0.271SS*.Hα-helixtrans-68.6-51.1179.5-68.9-29000111.3D683 A687 T688 E689D683-D685 VanDerWaalsContact C-N 3.27Å; D683-D685 PolarHBondContact O-N 3.23Å; D685-A687 VanDerWaalsContact C-N 3.32Å; D685-A687 PolarHBondContact O-N 3.41Å; D685-T688 WeakPolarHBondContact O-CB 3.47Å; D685-T688 PolarHBondContact O-N 2.97Å; D685-T688 VanDerWaalsContact O-N 3.13Å; D685-E689 PolarHBondContact O-N 2.97Å
686R94.1Very high91.4Very high148 Ų14860.3 Ų60.356%0.55828%0.284SS*.Hα-helixtrans-66-33.3175.6-70.5-170.4178.4114.1-4.1112.8N678 D683 T688 E689 A690N678-R686 HydrophobicContact CB-CB 3.98Å; N678-R686 VanDerWaalsContact CG-CB 3.42Å; N678-R686 VanDerWaalsContact OD1-CB 3.28Å; N678-R686 WeakPolarHBondContact OD1-CB 3.31Å; N678-R686 WeakPolarHBondContact OD1-CD 3.37Å; D683-R686 HydrophobicContact CB-CB 4.44Å; D683-R686 VanDerWaalsContact OD1-CB 3.31Å; D683-R686 WeakPolarHBondContact OD1-CB 3.5Å; D683-R686 WeakPolarHBondContact OD1-CG 3.31Å; D683-R686 PolarHBondContact OD1-N 3.45Å; D683-R686 VanDerWaalsContact OD2-CD 3.23Å; D683-R686 WeakPolarHBondContact OD2-CD 3.42Å; D683-R686 WeakPolarHBondContact OD2-CG 3.34Å; D683-R686 IonicContact OD2-CZ 3.17Å; D683-R686 IonicContact OD2-NE 3.11Å; D683-R686 IonicContact OD2-NH1 3.64Å; D683-R686 PolarHBondContact OD2-NH1 3.5Å; R686-T688 VanDerWaalsContact C-N 3.29Å; R686-T688 PolarHBondContact O-N 3.24Å; R686-E689 PolarHBondContact O-N 3.12Å; R686-A690 VanDerWaalsContact O-CB 3.28Å; R686-A690 WeakPolarHBondContact O-CB 3.45Å; R686-A690 PolarHBondContact O-N 3.02Å
687A92.7Very high91.5Very high0 Ų064.1 Ų64.10%030%0.3CS..Hα-helixtrans-62.7-39.7172.900000111.3T395 N678 L679 D683 D685 K691T395-A687 HydrophobicContact CG2-CB 3.64Å; N678-A687 HydrophobicContact CB-CB 3.74Å; L679-A687 HydrophobicContact CD2-CB 4.04Å; L679-A687 HydrophobicContact CG-CB 3.89Å; D683-A687 VanDerWaalsContact O-CB 3.3Å; D683-A687 WeakPolarHBondContact O-CB 3.27Å; D683-A687 PolarHBondContact O-N 3.02Å; D685-A687 VanDerWaalsContact C-N 3.32Å; D685-A687 PolarHBondContact O-N 3.41Å; A687-K691 VanDerWaalsContact O-CB 3.28Å; A687-K691 WeakPolarHBondContact O-CB 3.11Å; A687-K691 PolarHBondContact O-N 3.5Å
688T91Very high91.4Very high44 Ų4462.1 Ų62.127%0.2729%0.289SS..Hα-helixtrans-68.1-42.8176.3-55.10000111.3T395 I684 D685 R686 K691 H692T395-T688 WeakPolarHBondContact CB-OG1 3.5Å; T395-T688 WeakPolarHBondContact OG1-CB 3.49Å; T395-T688 PolarHBondContact OG1-OG1 2.96Å; I684-T688 WeakPolarHBondContact O-CB 3.4Å; I684-T688 PolarHBondContact O-N 3.37Å; I684-T688 PolarHBondContact O-OG1 3.34Å; D685-T688 WeakPolarHBondContact O-CB 3.47Å; D685-T688 PolarHBondContact O-N 2.97Å; D685-T688 VanDerWaalsContact O-N 3.13Å; R686-T688 VanDerWaalsContact C-N 3.29Å; R686-T688 PolarHBondContact O-N 3.24Å; T688-K691 PolarHBondContact O-N 3.1Å; T688-H692 WeakPolarHBondContact O-CB 3.41Å; T688-H692 PolarHBondContact O-N 2.85Å
689E94.4Very high91.3Very high106 Ų10665 Ų6550%0.49530%0.299SS..Hα-helixtrans-62.8-47.5176.4-161.4-143.9134.100111.7D685 R686 K691 H692 R693D685-E689 PolarHBondContact O-N 2.97Å; R686-E689 PolarHBondContact O-N 3.12Å; E689-K691 VanDerWaalsContact C-N 3.34Å; E689-K691 PolarHBondContact O-N 2.79Å; E689-H692 PolarHBondContact O-N 3.45Å; E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 PolarHBondContact O-N 3.28Å; E689-R693 IonicContact OE1-CZ 3.91Å; E689-R693 IonicContact OE1-NE 3.85Å; E689-R693 IonicContact OE1-NH2 2.71Å; E689-R693 PolarHBondContact OE1-NH2 3.21Å
690A95.2Very high91.6Very high11 Ų1166.7 Ų66.79%0.09131%0.314CS..Hα-helixtrans-61.3-41.9177.400000112D674 V675 R686 R693 L694D674-A690 HydrophobicContact CB-CB 4.06Å; V675-A690 HydrophobicContact CG2-CB 3.99Å; R686-A690 VanDerWaalsContact O-CB 3.28Å; R686-A690 WeakPolarHBondContact O-CB 3.45Å; R686-A690 PolarHBondContact O-N 3.02Å; A690-R693 PolarHBondContact O-N 3.26Å; A690-L694 PolarHBondContact O-N 3.42Å; A690-L694 VanDerWaalsContact O-N 3.16Å
691K93.4Very high91.8Very high25 Ų2565.7 Ų65.711%0.10931%0.31CS..Hα-helixtrans-62.8-50.1174.7174.1177.7179.8-660111.4L398 W672 V675 A687 T688 E689 R693 L694 E695L398-K691 HydrophobicContact CD1-CD 3.9Å; W672-K691 HydrophobicContact CZ3-CG 4.29Å; V675-K691 HydrophobicContact CG1-CB 4.47Å; V675-K691 HydrophobicContact CG2-CB 3.95Å; A687-K691 VanDerWaalsContact O-CB 3.28Å; A687-K691 WeakPolarHBondContact O-CB 3.11Å; A687-K691 PolarHBondContact O-N 3.5Å; T688-K691 PolarHBondContact O-N 3.1Å; E689-K691 VanDerWaalsContact C-N 3.34Å; E689-K691 PolarHBondContact O-N 2.79Å; K691-R693 VanDerWaalsContact C-N 3.29Å; K691-R693 PolarHBondContact O-N 3.46Å; K691-L694 PolarHBondContact O-N 2.92Å; K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 IonicContact NZ-OE1 2.69Å; K691-E695 PolarHBondContact NZ-OE1 3.37Å; K691-E695 IonicContact NZ-OE2 2.79Å; K691-E695 PolarHBondContact NZ-OE2 3.4Å; K691-E695 WeakPolarHBondContact O-CG 3.29Å; K691-E695 PolarHBondContact O-N 3.35Å
692H91.9Very high91.9Very high56 Ų5661.9 Ų61.926%0.25930%0.296SS..Hα-helixtrans-59.1-42179.4-179106.7000111.3T688 E689 L694 E695 E696T688-H692 WeakPolarHBondContact O-CB 3.41Å; T688-H692 PolarHBondContact O-N 2.85Å; E689-H692 PolarHBondContact O-N 3.45Å; H692-L694 VanDerWaalsContact C-N 3.34Å; H692-L694 PolarHBondContact O-N 3.49Å; H692-E695 PolarHBondContact O-N 3.06Å; H692-E696 WeakPolarHBondContact O-CB 3.29Å; H692-E696 PolarHBondContact O-N 3.17Å
693R94.8Very high92.2Very high140 Ų14060.6 Ų60.653%0.52829%0.287SS..Hα-helixtrans-61-40.1177.7-164.9-167.8-58.7158-1.3112.4E689 A690 K691 K697E689-R693 WeakPolarHBondContact O-CB 3.47Å; E689-R693 PolarHBondContact O-N 3.28Å; E689-R693 IonicContact OE1-CZ 3.91Å; E689-R693 IonicContact OE1-NE 3.85Å; E689-R693 IonicContact OE1-NH2 2.71Å; E689-R693 PolarHBondContact OE1-NH2 3.21Å; A690-R693 PolarHBondContact O-N 3.26Å; K691-R693 VanDerWaalsContact C-N 3.29Å; K691-R693 PolarHBondContact O-N 3.46Å; R693-K697 PolarHBondContact O-N 3.46Å; R693-K697 VanDerWaalsContact O-N 3.09Å
694L93.4Very high92.4Very high22 Ų2263.3 Ų63.312%0.11530%0.299CS..Hα-helixtrans-68.7-44.5176.5-175.961.3000111.8I457 L671 W672 A690 K691 H692 K697 Q698I457-L694 HydrophobicContact CD1-CD1 4.14Å; I457-L694 HydrophobicContact CG2-CG 4.32Å; L671-L694 HydrophobicContact CD2-CD1 4.23Å; W672-L694 HydrophobicContact CD2-CD2 3.87Å; W672-L694 HydrophobicContact CE3-CD2 3.87Å; W672-L694 HydrophobicContact CH2-CD2 3.93Å; W672-L694 HydrophobicContact CZ2-CD2 3.94Å; W672-L694 HydrophobicContact CZ3-CD2 3.9Å; A690-L694 PolarHBondContact O-N 3.42Å; A690-L694 VanDerWaalsContact O-N 3.16Å; K691-L694 PolarHBondContact O-N 2.92Å; H692-L694 VanDerWaalsContact C-N 3.34Å; H692-L694 PolarHBondContact O-N 3.49Å; L694-K697 WeakPolarHBondContact O-CB 3.47Å; L694-K697 PolarHBondContact O-N 2.91Å; L694-Q698 PolarHBondContact O-N 3.36Å; L694-Q698 VanDerWaalsContact O-N 3.12Å
695E90Very high92.6Very high41 Ų4163.9 Ų63.919%0.19230%0.298CS..Hα-helixtrans-67.1-35.5177.8-67.7173.714200112.2K691 H692 Q698 R699K691-E695 WeakPolarHBondContact CE-OE1 3.37Å; K691-E695 IonicContact NZ-OE1 2.69Å; K691-E695 PolarHBondContact NZ-OE1 3.37Å; K691-E695 IonicContact NZ-OE2 2.79Å; K691-E695 PolarHBondContact NZ-OE2 3.4Å; K691-E695 WeakPolarHBondContact O-CG 3.29Å; K691-E695 PolarHBondContact O-N 3.35Å; H692-E695 PolarHBondContact O-N 3.06Å; E695-Q698 WeakPolarHBondContact O-CB 3.36Å; E695-Q698 PolarHBondContact O-N 2.66Å; E695-R699 VanDerWaalsContact CB-NH2 3.31Å; E695-R699 WeakPolarHBondContact O-CG 3.46Å; E695-R699 PolarHBondContact O-N 3.24Å; E695-R699 IonicContact OE2-NH2 3.31Å
696E92.5Very high92.7Very high62 Ų6263.1 Ų63.129%0.2929%0.289SS..Hα-helixtrans-71.2-35.7174.8-17753.8-155.400112.4H692 Q698 R699 A700 R703H692-E696 WeakPolarHBondContact O-CB 3.29Å; H692-E696 PolarHBondContact O-N 3.17Å; E696-Q698 VanDerWaalsContact C-N 3.28Å; E696-Q698 PolarHBondContact O-N 3.11Å; E696-R699 PolarHBondContact O-N 3.42Å; E696-R699 WeakPolarHBondContact OE2-CD 3.32Å; E696-R699 IonicContact OE2-CZ 2.65Å; E696-R699 IonicContact OE2-NE 3.63Å; E696-R699 IonicContact OE2-NH1 2.68Å; E696-R699 PolarHBondContact OE2-NH1 3.26Å; E696-A700 PolarHBondContact O-N 3.11Å; E696-R703 IonicContact OE1-CZ 3.82Å; E696-R703 IonicContact OE1-NH1 2.66Å; E696-R703 IonicContact OE1-NH2 2.63Å; E696-R703 PolarHBondContact OE1-NH2 2.88Å
697K93.3Very high92.7Very high81 Ų8163.7 Ų63.735%0.35230%0.298SS..Hα-helixtrans-55.7-46.6168.6-165.8-158.4-173.6-127.50110.1E665 Y666 R693 L694 R699 A700 E701E665-K697 IonicContact OE1-NZ 2.76Å; E665-K697 PolarHBondContact OE1-NZ 2.93Å; Y666-K697 PolarHBondContact OH-NZ 3.09Å; R693-K697 PolarHBondContact O-N 3.46Å; R693-K697 VanDerWaalsContact O-N 3.09Å; L694-K697 WeakPolarHBondContact O-CB 3.47Å; L694-K697 PolarHBondContact O-N 2.91Å; K697-R699 PolarHBondContact O-N 3.2Å; K697-A700 PolarHBondContact O-N 3.49Å; K697-E701 VanDerWaalsContact CD-OE1 3.32Å; K697-E701 WeakPolarHBondContact CD-OE1 3.38Å; K697-E701 WeakPolarHBondContact CE-OE1 3.36Å; K697-E701 WeakPolarHBondContact CG-OE1 3.39Å; K697-E701 IonicContact NZ-OE1 2.59Å; K697-E701 PolarHBondContact NZ-OE1 3Å; K697-E701 WeakPolarHBondContact O-CB 3.41Å; K697-E701 WeakPolarHBondContact O-CG 3.39Å; K697-E701 PolarHBondContact O-N 3.41Å
698Q91.3Very high92.8Very high19 Ų1969 Ų699%0.08932%0.321CS..Hα-helixtrans-62.9-39.3177-166.2-164.7-8.400112.6I457 L458 H504 L694 E695 E696 E701 A702I457-Q698 HydrophobicContact CB-CG 4.21Å; L458-Q698 VanDerWaalsContact N-NE2 3.16Å; H504-Q698 PolarHBondContact CD2-NE2 2.73Å; H504-Q698 PolarHBondContact CE1-NE2 3.31Å; H504-Q698 PolarHBondContact CE1-OE1 2.66Å; H504-Q698 VanDerWaalsContact CG-NE2 3.25Å; H504-Q698 PolarHBondContact ND1-NE2 2.8Å; H504-Q698 VanDerWaalsContact ND1-NE2 3.2Å; L694-Q698 PolarHBondContact O-N 3.36Å; L694-Q698 VanDerWaalsContact O-N 3.12Å; E695-Q698 WeakPolarHBondContact O-CB 3.36Å; E695-Q698 PolarHBondContact O-N 2.66Å; E696-Q698 VanDerWaalsContact C-N 3.28Å; E696-Q698 PolarHBondContact O-N 3.11Å; Q698-E701 PolarHBondContact O-N 3.16Å; Q698-A702 VanDerWaalsContact O-CB 3.32Å; Q698-A702 WeakPolarHBondContact O-CB 3.45Å; Q698-A702 PolarHBondContact O-N 3.15Å
699R91.3Very high92.9Very high79 Ų7975.7 Ų75.730%0.29835%0.349SS..Hα-helixtrans-66.2-37.4175.3-70.1175.4-132.4127.8-1.1112.3E695 E696 K697 R703E695-R699 VanDerWaalsContact CB-NH2 3.31Å; E695-R699 WeakPolarHBondContact O-CG 3.46Å; E695-R699 PolarHBondContact O-N 3.24Å; E695-R699 IonicContact OE2-NH2 3.31Å; E696-R699 PolarHBondContact O-N 3.42Å; E696-R699 WeakPolarHBondContact OE2-CD 3.32Å; E696-R699 IonicContact OE2-CZ 2.65Å; E696-R699 IonicContact OE2-NE 3.63Å; E696-R699 IonicContact OE2-NH1 2.68Å; E696-R699 PolarHBondContact OE2-NH1 3.26Å; K697-R699 PolarHBondContact O-N 3.2Å; R699-R703 WeakPolarHBondContact O-CG 3.39Å; R699-R703 PolarHBondContact O-N 2.97Å; R699-R703 PolarHBondContact O-NE 3.37Å
700A93.5Very high92.8Very high43 Ų4376.1 Ų76.136%0.35535%0.351SS..Hα-helixtrans-65.2-51.1171.900000111.6E696 K697 A702 R703 E704E696-A700 PolarHBondContact O-N 3.11Å; K697-A700 PolarHBondContact O-N 3.49Å; A700-A702 PolarHBondContact O-N 3.23Å; A700-A702 VanDerWaalsContact O-N 3.17Å; A700-R703 PolarHBondContact O-N 2.96Å; A700-R703 VanDerWaalsContact O-N 3.13Å; A700-E704 PolarHBondContact O-N 3.48Å
701E91.7Very high92.4Very high41 Ų4184.4 Ų84.419%0.19239%0.388CS..Hα-helixtrans-59.5-26.1176-72.1173.7-166.600112.9Y666 K697 Q698 R705Y666-E701 PolarHBondContact OH-OE1 2.83Å; Y666-E701 VanDerWaalsContact OH-OE1 3.08Å; Y666-E701 PolarHBondContact OH-OE2 3.17Å; K697-E701 VanDerWaalsContact CD-OE1 3.32Å; K697-E701 WeakPolarHBondContact CD-OE1 3.38Å; K697-E701 WeakPolarHBondContact CE-OE1 3.36Å; K697-E701 WeakPolarHBondContact CG-OE1 3.39Å; K697-E701 IonicContact NZ-OE1 2.59Å; K697-E701 PolarHBondContact NZ-OE1 3Å; K697-E701 WeakPolarHBondContact O-CB 3.41Å; K697-E701 WeakPolarHBondContact O-CG 3.39Å; K697-E701 PolarHBondContact O-N 3.41Å; Q698-E701 PolarHBondContact O-N 3.16Å; E701-R705 WeakPolarHBondContact O-CG 3.49Å; E701-R705 PolarHBondContact O-N 2.81Å; E701-R705 PolarHBondContact O-NE 2.94Å
702A90.5Very high92.3Very high39 Ų3986.4 Ų86.432%0.32240%0.395SS..Hα-helixtrans-78.6-43.6173.400000113.2Q698 A700 R705 K706Q698-A702 VanDerWaalsContact O-CB 3.32Å; Q698-A702 WeakPolarHBondContact O-CB 3.45Å; Q698-A702 PolarHBondContact O-N 3.15Å; A700-A702 PolarHBondContact O-N 3.23Å; A700-A702 VanDerWaalsContact O-N 3.17Å; A702-R705 PolarHBondContact O-N 3.03Å; A702-K706 PolarHBondContact O-N 2.92Å; A702-K706 VanDerWaalsContact O-N 3.08Å
703R92.6Very high92.3Very high102 Ų10292 Ų9239%0.38542%0.421SS..Hα-helixtrans-60.9-48.4174.1-77.3175.3-68.8-166.4-0.9111.2E696 R699 A700 R705 K706 E707E696-R703 IonicContact OE1-CZ 3.82Å; E696-R703 IonicContact OE1-NH1 2.66Å; E696-R703 IonicContact OE1-NH2 2.63Å; E696-R703 PolarHBondContact OE1-NH2 2.88Å; R699-R703 WeakPolarHBondContact O-CG 3.39Å; R699-R703 PolarHBondContact O-N 2.97Å; R699-R703 PolarHBondContact O-NE 3.37Å; A700-R703 PolarHBondContact O-N 2.96Å; A700-R703 VanDerWaalsContact O-N 3.13Å; R703-R705 VanDerWaalsContact C-N 3.31Å; R703-R705 PolarHBondContact O-N 3.49Å; R703-K706 PolarHBondContact O-N 3.36Å; R703-K706 VanDerWaalsContact O-N 3.07Å; R703-E707 WeakPolarHBondContact O-CG 3.46Å; R703-E707 PolarHBondContact O-N 3.31Å
704E94.6Very high92.2Very high95 Ų9587.2 Ų87.244%0.44441%0.407SS..Hα-helixtrans-58.6-40.6179.6-174.5-177176.500112.5A700 K708A700-E704 PolarHBondContact O-N 3.48Å; E704-K708 HydrophobicContact CG-CD 4.1Å; E704-K708 WeakPolarHBondContact O-CB 3.39Å; E704-K708 VanDerWaalsContact O-CG 3.26Å; E704-K708 WeakPolarHBondContact O-CG 3.25Å; E704-K708 PolarHBondContact O-N 3.38Å; E704-K708 VanDerWaalsContact O-N 3.12Å; E704-K708 IonicContact OE1-NZ 3.76Å; E704-K708 PolarHBondContact OE1-NZ 3.33Å
705R93.6Very high92.3Very high50 Ų5091.3 Ų91.319%0.18942%0.421CS..Hα-helixtrans-67-40.5174.7-79.7179.8-65.1122.5-4112.5E701 A702 R703 K708 E709 Q710E701-R705 WeakPolarHBondContact O-CG 3.49Å; E701-R705 PolarHBondContact O-N 2.81Å; E701-R705 PolarHBondContact O-NE 2.94Å; A702-R705 PolarHBondContact O-N 3.03Å; R703-R705 VanDerWaalsContact C-N 3.31Å; R703-R705 PolarHBondContact O-N 3.49Å; R705-K708 CarbonylContact O-C 3.51Å; R705-K708 PolarHBondContact O-N 3.32Å; R705-E709 PolarHBondContact O-N 3.23Å; R705-E709 VanDerWaalsContact O-N 3.16Å; R705-Q710 HydrophobicContact CB-CB 4.43Å; R705-Q710 HydrophobicContact CG-CB 4.4Å; R705-Q710 PolarHBondContact O-N 2.86Å
706K90.3Very high92.6Very high121 Ų12190.8 Ų90.853%0.52642%0.42SS..Hα-helixtrans-64.8-43.1175.7-175165.6176.8166.90111.8E292 A702 R703 K708 E709E292-K706 WeakPolarHBondContact OE2-CE 3.4Å; E292-K706 IonicContact OE2-NZ 2.62Å; E292-K706 PolarHBondContact OE2-NZ 3.3Å; A702-K706 PolarHBondContact O-N 2.92Å; A702-K706 VanDerWaalsContact O-N 3.08Å; R703-K706 PolarHBondContact O-N 3.36Å; R703-K706 VanDerWaalsContact O-N 3.07Å; K706-K708 PolarHBondContact O-N 3.45Å; K706-E709 PolarHBondContact O-N 2.69Å; K706-E709 VanDerWaalsContact O-N 3.14Å
707E94.7Very high92.8Very high161 Ų16187.9 Ų87.975%0.75241%0.406SS*.Hα-helixtrans-62.4-27.7175.1-72.6171.8-16800113.3R703R703-E707 WeakPolarHBondContact O-CG 3.46Å; R703-E707 PolarHBondContact O-N 3.31Å
708K95.3Very high92.9Very high111 Ų11188 Ų8848%0.48341%0.407SS..THydrogen-bonded Turntrans-93.72.4177-69173.5178.1178.90114.2E704 R705 K706 Q710E704-K708 HydrophobicContact CG-CD 4.1Å; E704-K708 WeakPolarHBondContact O-CB 3.39Å; E704-K708 VanDerWaalsContact O-CG 3.26Å; E704-K708 WeakPolarHBondContact O-CG 3.25Å; E704-K708 PolarHBondContact O-N 3.38Å; E704-K708 VanDerWaalsContact O-N 3.12Å; E704-K708 IonicContact OE1-NZ 3.76Å; E704-K708 PolarHBondContact OE1-NZ 3.33Å; R705-K708 CarbonylContact O-C 3.51Å; R705-K708 PolarHBondContact O-N 3.32Å; K706-K708 PolarHBondContact O-N 3.45Å; K708-Q710 HydrophobicContact CB-CB 4.35Å; K708-Q710 HydrophobicContact CB-CG 3.86Å; K708-Q710 PolarHBondContact O-N 2.97Å
709E93Very high93.1Very high185 Ų18593.1 Ų93.186%0.86443%0.431SS*.THydrogen-bonded Turntrans53.528.4-171.5-57-174.2156.600113.5R705 K706R705-E709 PolarHBondContact O-N 3.23Å; R705-E709 VanDerWaalsContact O-N 3.16Å; K706-E709 PolarHBondContact O-N 2.69Å; K706-E709 VanDerWaalsContact O-N 3.14Å
710Q91.9Very high93.1Very high114 Ų11494.3 Ų94.353%0.53344%0.444SS..PPolyproline II helixtrans-92.5119.4-176.7-74.5177-2.800111.7R705 K708R705-Q710 HydrophobicContact CB-CB 4.43Å; R705-Q710 HydrophobicContact CG-CB 4.4Å; R705-Q710 PolarHBondContact O-N 2.86Å; K708-Q710 HydrophobicContact CB-CB 4.35Å; K708-Q710 HydrophobicContact CB-CG 3.86Å; K708-Q710 PolarHBondContact O-N 2.97Å
711Q87.4Confident92.9Very high185 Ų18595.3 Ų95.386%0.86446%0.458SS*.PPolyproline II helixtrans-70.1160.8167.6-66.6-173.9-19.300111
712W90.4Very high92.7Very high68 Ų68101.6 Ų101.626%0.25849%0.488SS..PPolyproline II helixtrans-83.9123.3173.6178.6-96.2000110.1L458 G459L458-W712 HydrophobicContact CD1-CG 4.28Å; L458-W712 HydrophobicContact CD2-CB 4Å; L458-W712 HydrophobicContact CD2-CD2 3.64Å; L458-W712 HydrophobicContact CD2-CE3 3.82Å; L458-W712 HydrophobicContact CD2-CG 3.68Å; L458-W712 HydrophobicContact CG-CD2 3.8Å; L458-W712 HydrophobicContact CG-CE3 4.23Å; L458-W712 HydrophobicContact CG-CG 4Å; G459-W712 VanDerWaalsContact CA-CZ2 3.41Å
713E91.3Very high92.8Very high174 Ų174101 Ų10181%0.81348%0.481SS*.PPolyproline II helixtrans-91.4120.9166.6-67.5-173.7176.900109.3
714T94.6Very high93Very high38 Ų3897.5 Ų97.523%0.23347%0.468CS..PPolyproline II helixtrans-69.7156.5171.538.50000111.8E500 V502 F717 W724E500-T714 WeakPolarHBondContact OE1-CA 3.43Å; V502-T714 HydrophobicContact CB-CG2 3.78Å; V502-T714 HydrophobicContact CG1-CG2 3.82Å; T714-F717 WeakPolarHBondContact CB-O 3.42Å; T714-F717 PolarHBondContact OG1-O 3.31Å; T714-W724 HydrophobicContact CG2-CH2 4.4Å; T714-W724 HydrophobicContact CG2-CZ3 3.86Å
715R93.7Very high93Very high109 Ų10995.3 Ų95.341%0.41146%0.458SS..SBendtrans-99.7-27.6-167.1-65.1174.5172.7156.3-4.9113.8G459 E500G459-R715 PolarHBondContact O-NH1 2.71Å; E500-R715 VanDerWaalsContact CD-N 3.34Å; E500-R715 PolarHBondContact OE1-N 3.26Å; E500-R715 PolarHBondContact OE2-N 2.64Å
716L96.2Very high93.2Very high30 Ų3093.9 Ų93.916%0.15745%0.453CS..SBendtrans-136.3-16.1-166.6-60.3171.2000113.5V461 F463 V498 E500 Y726 D727V461-L716 HydrophobicContact CB-CD1 4.38Å; V461-L716 HydrophobicContact CG1-CD1 3.7Å; F463-L716 HydrophobicContact CE1-CD1 4.37Å; F463-L716 HydrophobicContact CZ-CD1 3.91Å; V498-L716 HydrophobicContact CG2-CD1 3.59Å; E500-L716 HydrophobicContact CB-CD1 4.5Å; E500-L716 WeakPolarHBondContact OE2-CB 3.47Å; E500-L716 PolarHBondContact OE2-N 3.17Å; L716-Y726 HydrophobicContact CB-CD2 4.36Å; L716-Y726 HydrophobicContact CB-CE2 4.12Å; L716-Y726 WeakPolarHBondContact O-CD2 3.5Å; L716-D727 PolarHBondContact O-N 3.01Å
717F97.7Very high93.5Very high1 Ų190.1 Ų90.10%0.00444%0.439CS..EExtended strand (participates in β ladder)trans-134.8154.2-177.7-59.8-102.7000110.9E500 V502 A510 T714 W724 I725 Y726E500-F717 HydrophobicContact CB-CD2 3.71Å; E500-F717 HydrophobicContact CB-CE2 3.83Å; V502-F717 HydrophobicContact CG1-CB 4.06Å; V502-F717 HydrophobicContact CG1-CD2 4.36Å; V502-F717 HydrophobicContact CG1-CG 4.42Å; A510-F717 HydrophobicContact CB-CB 4.3Å; A510-F717 HydrophobicContact CB-CD1 3.61Å; A510-F717 HydrophobicContact CB-CD2 4Å; A510-F717 HydrophobicContact CB-CE1 3.86Å; A510-F717 HydrophobicContact CB-CE2 4.25Å; A510-F717 HydrophobicContact CB-CG 3.72Å; A510-F717 HydrophobicContact CB-CZ 4.2Å; T714-F717 WeakPolarHBondContact CB-O 3.42Å; T714-F717 PolarHBondContact OG1-O 3.31Å; F717-W724 HydrophobicContact CB-CE3 4.26Å; F717-I725 CarbonylContact C-O 3.58Å; F717-I725 WeakPolarHBondContact CA-O 3.27Å; F717-I725 WeakPolarHBondContact CB-O 3.37Å; F717-Y726 HydrophobicContact CD1-CD2 4.43Å; F717-Y726 HydrophobicContact CE1-CD2 4.07Å; F717-Y726 HydrophobicContact CE1-CG 4.39Å; F717-Y726 HydrophobicContact CE2-CD2 4.17Å; F717-Y726 AromaticContact CZ-CD2 3.9Å; F717-Y726 HydrophobicContact CZ-CD2 3.9Å
718H96.2Very high93.5Very high82 Ų8286.6 Ų86.638%0.3842%0.422SS..EExtended strand (participates in β ladder)trans-125160.1168.558.8-80.2000111.3W724 I725 D727H718-W724 CarbonylContact O-C 3.54Å; H718-W724 WeakPolarHBondContact O-CA 3.47Å; H718-I725 PolarHBondContact N-O 2.88Å; H718-I725 PolarHBondContact ND1-O 3.4Å; H718-I725 PolarHBondContact O-N 3.36Å; H718-D727 IonicContact CE1-OD1 2.8Å; H718-D727 IonicContact CG-OD1 3.51Å; H718-D727 PolarHBondContact N-OD1 3.26Å; H718-D727 IonicContact ND1-OD1 3.7Å; H718-D727 PolarHBondContact ND1-OD1 3.49Å
719E94.4Very high93.5Very high127 Ų12782.3 Ų82.359%0.59341%0.406SS*.EExtended strand (participates in β ladder)trans-80128.6172.9-171.1169.3-128.800110.2C723 W724E719-C723 CarbonylContact C-O 3.58Å; E719-C723 WeakPolarHBondContact CA-O 3.31Å; E719-W724 HydrophobicContact CB-CD2 4.49Å; E719-W724 HydrophobicContact CB-CE3 4.44Å; E719-W724 HydrophobicContact CB-CH2 4.09Å; E719-W724 HydrophobicContact CB-CZ2 4.11Å; E719-W724 HydrophobicContact CB-CZ3 4.25Å; E719-W724 HydrophobicContact CG-CZ2 4.4Å
720D92Very high93.7Very high104 Ų10473.5 Ų73.556%0.55637%0.365SS*.EExtended strand (participates in β ladder)trans-129.999.8172.9-177.824.6000108.8E722 C723 I725D720-E722 PolarHBondContact O-N 3.34Å; D720-C723 PolarHBondContact N-O 3.25Å; D720-C723 WeakPolarHBondContact O-CB 3.35Å; D720-C723 PolarHBondContact O-N 3.06Å; D720-I725 HydrophobicContact CB-CG1 3.75Å
721G89.8Confident93.8Very high64 Ų6472.2 Ų72.266%0.6636%0.361SS*.THydrogen-bonded Turntrans64.8-113.9-171.200000111.7
722E86.4Confident94.1Very high174 Ų17467.7 Ų67.781%0.81334%0.339SS*.THydrogen-bonded Turntrans-101.89.9175.7-60.6-178.6160.100112.2D720D720-E722 PolarHBondContact O-N 3.34Å
723C92.3Very high94.1Very high27 Ų2765.3 Ų65.318%0.18233%0.33CS..EExtended strand (participates in β ladder)trans-115.1156.7-174-65.50000112.8Q544 E719 D720 I725Q544-C723 PolarHBondContact NE2-SG 3.19Å; E719-C723 CarbonylContact C-O 3.58Å; E719-C723 WeakPolarHBondContact CA-O 3.31Å; D720-C723 PolarHBondContact N-O 3.25Å; D720-C723 WeakPolarHBondContact O-CB 3.35Å; D720-C723 PolarHBondContact O-N 3.06Å; C723-I725 HydrophobicContact CB-CD1 4.12Å
724W96.3Very high94Very high27 Ų2758.6 Ų58.610%0.10230%0.299CS..EExtended strand (participates in β ladder)trans-110.9113.8169.8-68.980.7000111.3V502 A510 N523 H525 T714 F717 H718 E719V502-W724 HydrophobicContact CB-CD2 3.91Å; V502-W724 HydrophobicContact CB-CE3 3.67Å; V502-W724 HydrophobicContact CB-CH2 4.08Å; V502-W724 HydrophobicContact CB-CZ2 4.31Å; V502-W724 HydrophobicContact CB-CZ3 3.76Å; V502-W724 HydrophobicContact CG1-CD2 4.25Å; V502-W724 HydrophobicContact CG1-CE3 3.76Å; V502-W724 HydrophobicContact CG1-CZ3 4.13Å; V502-W724 HydrophobicContact CG2-CD2 3.54Å; V502-W724 HydrophobicContact CG2-CE3 3.87Å; V502-W724 HydrophobicContact CG2-CG 3.9Å; V502-W724 HydrophobicContact CG2-CH2 4.42Å; V502-W724 HydrophobicContact CG2-CZ2 4.16Å; V502-W724 HydrophobicContact CG2-CZ3 4.29Å; A510-W724 HydrophobicContact CB-CB 3.74Å; A510-W724 HydrophobicContact CB-CG 4.41Å; N523-W724 PolarHBondContact ND2-O 3.27Å; N523-W724 PolarHBondContact OD1-O 3Å; H525-W724 HydrophobicContact CB-CB 4.09Å; T714-W724 HydrophobicContact CG2-CH2 4.4Å; T714-W724 HydrophobicContact CG2-CZ3 3.86Å; F717-W724 HydrophobicContact CB-CE3 4.26Å; H718-W724 CarbonylContact O-C 3.54Å; H718-W724 WeakPolarHBondContact O-CA 3.47Å; E719-W724 HydrophobicContact CB-CD2 4.49Å; E719-W724 HydrophobicContact CB-CE3 4.44Å; E719-W724 HydrophobicContact CB-CH2 4.09Å; E719-W724 HydrophobicContact CB-CZ2 4.11Å; E719-W724 HydrophobicContact CB-CZ3 4.25Å; E719-W724 HydrophobicContact CG-CZ2 4.4Å
725I96.4Very high93.6Very high49 Ų4959.1 Ų59.125%0.25131%0.307SS..EExtended strand (participates in β ladder)trans-105.9135.2-173.4-54.3-57.6000109.4F717 H718 D720 C723F717-I725 CarbonylContact C-O 3.58Å; F717-I725 WeakPolarHBondContact CA-O 3.27Å; F717-I725 WeakPolarHBondContact CB-O 3.37Å; H718-I725 PolarHBondContact N-O 2.88Å; H718-I725 PolarHBondContact ND1-O 3.4Å; H718-I725 PolarHBondContact O-N 3.36Å; D720-I725 HydrophobicContact CB-CG1 3.75Å; C723-I725 HydrophobicContact CB-CD1 4.12Å
726Y97.6Very high92.7Very high20 Ų2057.7 Ų57.78%0.07831%0.314CS..EExtended strand (participates in β ladder)trans-69.2140.7176.2-178.9-112.1000110.6V498 Y512 L716 F717 E728 P729V498-Y726 HydrophobicContact CG1-CD2 4.15Å; V498-Y726 HydrophobicContact CG1-CE2 3.73Å; Y512-Y726 AromaticContact CD1-CD1 3.56Å; Y512-Y726 HydrophobicContact CD1-CD1 3.56Å; Y512-Y726 HydrophobicContact CD1-CD2 4.38Å; Y512-Y726 AromaticContact CD1-CE1 3.82Å; Y512-Y726 HydrophobicContact CD1-CE1 3.82Å; Y512-Y726 AromaticContact CD1-CG 3.89Å; Y512-Y726 HydrophobicContact CD1-CG 3.89Å; Y512-Y726 AromaticContact CD2-CD1 3.95Å; Y512-Y726 HydrophobicContact CD2-CD1 3.95Å; Y512-Y726 HydrophobicContact CD2-CG 4Å; Y512-Y726 AromaticContact CE1-CD1 3.69Å; Y512-Y726 HydrophobicContact CE1-CD1 3.69Å; Y512-Y726 AromaticContact CE1-CE1 3.81Å; Y512-Y726 HydrophobicContact CE1-CE1 3.81Å; Y512-Y726 HydrophobicContact CE1-CG 4.45Å; Y512-Y726 HydrophobicContact CE2-CD1 4.06Å; Y512-Y726 AromaticContact CG-CD1 3.7Å; Y512-Y726 HydrophobicContact CG-CD1 3.7Å; Y512-Y726 HydrophobicContact CG-CD2 4.28Å; Y512-Y726 HydrophobicContact CG-CE1 4.41Å; Y512-Y726 AromaticContact CG-CG 3.64Å; Y512-Y726 HydrophobicContact CG-CG 3.64Å; Y512-Y726 AromaticContact CZ-CD1 3.95Å; L716-Y726 HydrophobicContact CB-CD2 4.36Å; L716-Y726 HydrophobicContact CB-CE2 4.12Å; L716-Y726 WeakPolarHBondContact O-CD2 3.5Å; F717-Y726 HydrophobicContact CD1-CD2 4.43Å; F717-Y726 HydrophobicContact CE1-CD2 4.07Å; F717-Y726 HydrophobicContact CE1-CG 4.39Å; F717-Y726 HydrophobicContact CE2-CD2 4.17Å; F717-Y726 AromaticContact CZ-CD2 3.9Å; F717-Y726 HydrophobicContact CZ-CD2 3.9Å; Y726-E728 VanDerWaalsContact CE1-C 3.49Å; Y726-E728 HydrophobicContact CE1-CB 4.16Å; Y726-E728 WeakPolarHBondContact CE1-O 3.45Å; Y726-P729 HydrophobicContact CD1-CB 4.42Å; Y726-P729 WeakPolarHBondContact O-CD 3.41Å
727D96.3Very high91.4Very high43 Ų4362.2 Ų62.223%0.2333%0.334CS..SBendtrans-71.3-35.5-169.1-75.91.2000114.3L716 H718 P729 K732L716-D727 PolarHBondContact O-N 3.01Å; H718-D727 IonicContact CE1-OD1 2.8Å; H718-D727 IonicContact CG-OD1 3.51Å; H718-D727 PolarHBondContact N-OD1 3.26Å; H718-D727 IonicContact ND1-OD1 3.7Å; H718-D727 PolarHBondContact ND1-OD1 3.49Å; D727-P729 WeakPolarHBondContact O-CD 3.49Å; D727-K732 WeakPolarHBondContact O-CD 3.22Å; D727-K732 PolarHBondContact O-NZ 3.12Å
728E95.1Very high89.6Confident86 Ų8671.8 Ų71.840%0.40237%0.371SS..SBendtrans-122.355.8-174.8-61.9-56.9155.500113.7Y726 K732 R733Y726-E728 VanDerWaalsContact CE1-C 3.49Å; Y726-E728 HydrophobicContact CE1-CB 4.16Å; Y726-E728 WeakPolarHBondContact CE1-O 3.45Å; E728-K732 IonicContact OE1-NZ 2.7Å; E728-K732 PolarHBondContact OE1-NZ 3.44Å; E728-K732 WeakPolarHBondContact OE2-CD 3.39Å; E728-K732 VanDerWaalsContact OE2-CE 3.31Å; E728-K732 WeakPolarHBondContact OE2-CE 3.41Å; E728-K732 IonicContact OE2-NZ 2.81Å; E728-K732 PolarHBondContact OE2-NZ 2.86Å; E728-R733 PolarHBondContact O-NE 3.12Å
729P95.6Very high87Confident22 Ų2278.9 Ų78.914%0.14340%0.403CS..  trans-69.9154.5-173.731.9-34.9000111.3Y512 Y726 D727 L731 K732 R733Y512-P729 HydrophobicContact CE2-CB 3.95Å; Y726-P729 HydrophobicContact CD1-CB 4.42Å; Y726-P729 WeakPolarHBondContact O-CD 3.41Å; D727-P729 WeakPolarHBondContact O-CD 3.49Å; P729-L731 PolarHBondContact O-N 3.25Å; P729-L731 VanDerWaalsContact O-N 3.13Å; P729-K732 HydrophobicContact CG-CB 3.91Å; P729-K732 WeakPolarHBondContact O-CB 3.39Å; P729-K732 PolarHBondContact O-N 3.38Å; P729-R733 PolarHBondContact O-N 3.29Å; P729-R733 VanDerWaalsContact O-N 3.17Å
730L95.4Very high86.6Confident0 Ų076.5 Ų76.50%039%0.394CS..Hα-helixtrans-54.2-37.9-176-176.160.3000112.4Y512 E514 V516 Q521 L550 K732 R733 L734Y512-L730 PolarHBondContact OH-N 3.28Å; E514-L730 HydrophobicContact CB-CD2 4.39Å; V516-L730 HydrophobicContact CB-CD1 4.43Å; V516-L730 HydrophobicContact CG1-CD1 4.29Å; V516-L730 HydrophobicContact CG2-CD1 3.99Å; Q521-L730 HydrophobicContact CB-CB 4.31Å; Q521-L730 VanDerWaalsContact OE1-N 3.17Å; L550-L730 HydrophobicContact CD1-CB 4.13Å; L550-L730 HydrophobicContact CD1-CD2 4.03Å; L550-L730 HydrophobicContact CD1-CG 3.9Å; L730-K732 PolarHBondContact O-N 3.21Å; L730-R733 PolarHBondContact O-N 3.03Å; L730-L734 HydrophobicContact CD1-CD1 3.93Å; L730-L734 HydrophobicContact CD1-CD2 4.4Å; L730-L734 HydrophobicContact CD1-CG 3.84Å; L730-L734 HydrophobicContact CD2-CD1 4.36Å; L730-L734 HydrophobicContact CG-CD1 3.75Å; L730-L734 HydrophobicContact CG-CG 4.1Å; L730-L734 VanDerWaalsContact O-CB 3.28Å; L730-L734 WeakPolarHBondContact O-CB 3.42Å; L730-L734 VanDerWaalsContact O-CG 3.27Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 3.41Å
731L94.1Very high86.4Confident87 Ų8775 Ų7546%0.45539%0.385SS..Hα-helixtrans-56.8-43.5173.8177.457.6000113.1L550 P729 A735L550-L731 HydrophobicContact CD1-CB 4.19Å; L550-L731 HydrophobicContact CD2-CB 4.04Å; L550-L731 HydrophobicContact CD2-CD1 4.3Å; P729-L731 PolarHBondContact O-N 3.25Å; P729-L731 VanDerWaalsContact O-N 3.13Å; L731-A735 WeakPolarHBondContact O-CB 3.24Å; L731-A735 PolarHBondContact O-N 3.45Å; L731-A735 VanDerWaalsContact O-N 3.08Å
732K93.6Very high86.2Confident90 Ų9075.6 Ų75.639%0.39137%0.37SS..Hα-helixtrans-68.6-44.2179.6-177.2-170.1179.9-163.80111.1D727 E728 P729 L730 A735 S736D727-K732 WeakPolarHBondContact O-CD 3.22Å; D727-K732 PolarHBondContact O-NZ 3.12Å; E728-K732 IonicContact OE1-NZ 2.7Å; E728-K732 PolarHBondContact OE1-NZ 3.44Å; E728-K732 WeakPolarHBondContact OE2-CD 3.39Å; E728-K732 VanDerWaalsContact OE2-CE 3.31Å; E728-K732 WeakPolarHBondContact OE2-CE 3.41Å; E728-K732 IonicContact OE2-NZ 2.81Å; E728-K732 PolarHBondContact OE2-NZ 2.86Å; P729-K732 HydrophobicContact CG-CB 3.91Å; P729-K732 WeakPolarHBondContact O-CB 3.39Å; P729-K732 PolarHBondContact O-N 3.38Å; L730-K732 PolarHBondContact O-N 3.21Å; K732-A735 PolarHBondContact O-N 2.62Å; K732-S736 PolarHBondContact O-N 3.41Å; K732-S736 PolarHBondContact O-OG 3.22Å
733R91.9Very high86.2Confident17 Ų1769.8 Ų69.86%0.06434%0.344CS..Hα-helixtrans-68.8-43.4180-64.3-174.7-67.1112.1-6.7112D484 E514 E728 P729 L730 A735 S736 Q737D484-R733 WeakPolarHBondContact O-CD 3.34Å; D484-R733 PolarHBondContact O-NE 3Å; D484-R733 PolarHBondContact O-NH1 3.05Å; D484-R733 IonicContact OD1-NH1 2.82Å; D484-R733 PolarHBondContact OD1-NH1 2.8Å; D484-R733 WeakPolarHBondContact OD2-CD 3.27Å; D484-R733 IonicContact OD2-CZ 2.89Å; D484-R733 IonicContact OD2-NH1 3.4Å; D484-R733 PolarHBondContact OD2-NH1 2.9Å; E514-R733 IonicContact OE1-CZ 2.77Å; E514-R733 IonicContact OE1-NH2 2.76Å; E514-R733 PolarHBondContact OE1-NH2 3.06Å; E514-R733 IonicContact OE2-CZ 3.72Å; E514-R733 IonicContact OE2-NH2 3.7Å; E514-R733 PolarHBondContact OE2-NH2 2.91Å; E728-R733 PolarHBondContact O-NE 3.12Å; P729-R733 PolarHBondContact O-N 3.29Å; P729-R733 VanDerWaalsContact O-N 3.17Å; L730-R733 PolarHBondContact O-N 3.03Å; R733-A735 VanDerWaalsContact C-N 3.29Å; R733-A735 PolarHBondContact O-N 3.45Å; R733-S736 PolarHBondContact O-N 2.7Å; R733-Q737 WeakPolarHBondContact O-CG 3.4Å; R733-Q737 PolarHBondContact O-N 3.39Å; R733-Q737 VanDerWaalsContact O-N 3.1Å
734L88.9Confident85.8Confident33 Ų3372.5 Ų72.517%0.17335%0.354CS..Hα-helixtrans-67.7-22.9173.9-69.3179.3000114.1K519 L550 L730 R738K519-L734 HydrophobicContact CG-CD1 4.22Å; L550-L734 HydrophobicContact CD1-CD1 4.17Å; L730-L734 HydrophobicContact CD1-CD1 3.93Å; L730-L734 HydrophobicContact CD1-CD2 4.4Å; L730-L734 HydrophobicContact CD1-CG 3.84Å; L730-L734 HydrophobicContact CD2-CD1 4.36Å; L730-L734 HydrophobicContact CG-CD1 3.75Å; L730-L734 HydrophobicContact CG-CG 4.1Å; L730-L734 VanDerWaalsContact O-CB 3.28Å; L730-L734 WeakPolarHBondContact O-CB 3.42Å; L730-L734 VanDerWaalsContact O-CG 3.27Å; L730-L734 WeakPolarHBondContact O-CG 3.44Å; L730-L734 PolarHBondContact O-N 3.41Å; L734-R738 WeakPolarHBondContact O-CG 3.47Å; L734-R738 PolarHBondContact O-NE 2.83Å
735A85.3Confident85.1Confident49 Ų4975.5 Ų75.541%0.40537%0.371SS..Hα-helixtrans-75.7-42.1169.600000111.4L731 K732 R733 Q737 R738L731-A735 WeakPolarHBondContact O-CB 3.24Å; L731-A735 PolarHBondContact O-N 3.45Å; L731-A735 VanDerWaalsContact O-N 3.08Å; K732-A735 PolarHBondContact O-N 2.62Å; R733-A735 VanDerWaalsContact C-N 3.29Å; R733-A735 PolarHBondContact O-N 3.45Å; A735-Q737 VanDerWaalsContact C-N 3.27Å; A735-Q737 PolarHBondContact O-N 2.72Å; A735-R738 PolarHBondContact O-N 3.31Å; A735-R738 VanDerWaalsContact O-N 3.13Å
736S76.1Confident84.3Confident80 Ų8077.4 Ų77.456%0.55938%0.379SS*.Hα-helixtrans-63.1-31.1178.8-56.10000112.9K732 R733 R738K732-S736 PolarHBondContact O-N 3.41Å; K732-S736 PolarHBondContact O-OG 3.22Å; R733-S736 PolarHBondContact O-N 2.7Å; S736-R738 PolarHBondContact O-N 3.17Å
737Q68.8Low83.2Confident124 Ų12481.8 Ų81.858%0.57940%0.403SS*.THydrogen-bonded Turntrans-75.71.7175.9-68.21736.300114.8R733 A735R733-Q737 WeakPolarHBondContact O-CG 3.4Å; R733-Q737 PolarHBondContact O-N 3.39Å; R733-Q737 VanDerWaalsContact O-N 3.1Å; A735-Q737 VanDerWaalsContact C-N 3.27Å; A735-Q737 PolarHBondContact O-N 2.72Å
738R59Low82.2Confident203 Ų20385.1 Ų85.177%0.76642%0.417SS*.THydrogen-bonded Turntrans-103.77179.7-65.5176.6-175.7-169.91.3113.9L734 A735 S736L734-R738 WeakPolarHBondContact O-CG 3.47Å; L734-R738 PolarHBondContact O-NE 2.83Å; A735-R738 PolarHBondContact O-N 3.31Å; A735-R738 VanDerWaalsContact O-N 3.13Å; S736-R738 PolarHBondContact O-N 3.17Å
739H41.9Very low81Confident230 Ų23085 Ų85100%1.06542%0.418SS*.  trans-127.40-176.6-72.2-58.9000111.7

Retrieved 739 of 739 residues in 457.8 ms (Link to these results)

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