A0A087YHA1_POEFO Loading...

WD repeat domain 4

Required for the formation of N(7)-methylguanine at position 46 (m7G46) in tRNA. In the complex, it is required to stabilize and induce conformational changes of the catalytic subunit.

AlphaFold DB , UniProt , Accession A0A087YHA1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 413 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
1M68.9Low88.9Confident76 Ų7621.5 Ų21.537%0.37412%0.124SC..  0137.20-176.8-178.5-81.900108.4C3 T14 V62 F248M1-C3 VanDerWaalsContact SD-SG 3.62Å; M1-T14 PolarHBondContact O-OG1 3.14Å; M1-T14 VanDerWaalsContact O-OG1 3.13Å; M1-V62 PolarHBondContact N-O 2.95Å; M1-F248 HydrophobicContact CE-CE2 4.29Å; M1-F248 HydrophobicContact CE-CZ 4.4Å; M1-F248 HydrophobicContact CG-CZ 4.45Å; M1-F248 HydrophobicContact SD-CZ 4.22Å
2A83.1Confident89.5Confident12 Ų1219.7 Ų19.710%0.09911%0.114CC..  trans-81.5118.2171.500000108.4T14 M295 L308A2-T14 VanDerWaalsContact CA-O 3.27Å; A2-T14 WeakPolarHBondContact CA-O 3.42Å; A2-M295 HydrophobicContact CB-CB 4.25Å; A2-M295 HydrophobicContact CB-CE 4.12Å; A2-L308 HydrophobicContact CB-CD2 3.99Å
3C88.5Confident89.8Confident4 Ų418.5 Ų18.53%0.02711%0.107CC..EExtended strand (participates in β ladder)trans-126.1157.6176.9-60.20000110.2M1 S13 T14 D296M1-C3 VanDerWaalsContact SD-SG 3.62Å; C3-S13 CarbonylContact O-C 3.53Å; C3-S13 WeakPolarHBondContact O-CA 3.37Å; C3-S13 PolarHBondContact O-OG 2.97Å; C3-T14 VanDerWaalsContact CB-OG1 3.28Å; C3-T14 WeakPolarHBondContact CB-OG1 3.44Å; C3-T14 PolarHBondContact N-O 3.34Å; C3-T14 PolarHBondContact N-OG1 3.39Å; C3-T14 VanDerWaalsContact N-OG1 3.14Å; C3-T14 PolarHBondContact O-N 3.44Å; C3-D296 VanDerWaalsContact C-OD2 3.3Å; C3-D296 WeakPolarHBondContact CA-OD2 3.36Å
4L93.6Very high89.9Confident3 Ų317.2 Ų17.22%0.01610%0.1CC..EExtended strand (participates in β ladder)trans-131.4149.2170.18890000110.6F6 F11 L12 R249 D296 W306 L308L4-F6 HydrophobicContact CD1-CE2 3.79Å; L4-F6 HydrophobicContact CD1-CZ 4.45Å; L4-F11 HydrophobicContact CB-CE2 4.33Å; L4-F11 HydrophobicContact CB-CZ 4.32Å; L4-F11 HydrophobicContact CD1-CE2 4.41Å; L4-L12 CarbonylContact C-O 3.54Å; L4-L12 VanDerWaalsContact CA-O 3.25Å; L4-L12 WeakPolarHBondContact CA-O 3.42Å; L4-R249 PolarHBondContact O-NH1 3.39Å; L4-D296 VanDerWaalsContact CD2-C 3.44Å; L4-D296 HydrophobicContact CD2-CB 4.06Å; L4-D296 VanDerWaalsContact CD2-O 3.26Å; L4-D296 WeakPolarHBondContact CD2-O 3.47Å; L4-D296 HydrophobicContact CG-CB 4.31Å; L4-D296 PolarHBondContact N-OD2 3.36Å; L4-W306 HydrophobicContact CD1-CB 4.32Å; L4-L308 HydrophobicContact CD2-CB 3.79Å
5G93.3Very high89.5Confident11 Ų1116.9 Ų16.911%0.11310%0.099CC..EExtended strand (participates in β ladder)trans-163.8176.3177.400000111.8L12G5-L12 PolarHBondContact N-O 3.09Å; G5-L12 WeakPolarHBondContact O-CB 3.3Å; G5-L12 PolarHBondContact O-N 2.88Å
6F93.2Very high89.2Confident31 Ų3119.4 Ų19.414%0.13612%0.117CC..EExtended strand (participates in β ladder)trans-131.2138.5-179.3-68.1-86.7000110.8L4 W10 F11 V67 F299 D300 W306L4-F6 HydrophobicContact CD1-CE2 3.79Å; L4-F6 HydrophobicContact CD1-CZ 4.45Å; F6-W10 WeakPolarHBondContact CA-O 3.5Å; F6-F11 HydrophobicContact CE1-CB 4.22Å; F6-F11 AromaticContact CE1-CD2 3.82Å; F6-F11 HydrophobicContact CE1-CD2 3.82Å; F6-F11 AromaticContact CZ-CD2 3.78Å; F6-F11 HydrophobicContact CZ-CD2 3.78Å; F6-F11 HydrophobicContact CZ-CE2 4.37Å; F6-V67 WeakPolarHBondContact O-CG1 3.45Å; F6-F299 WeakPolarHBondContact CD2-O 3.09Å; F6-D300 HydrophobicContact CD1-CB 3.94Å; F6-D300 HydrophobicContact CD2-CB 4.35Å; F6-D300 HydrophobicContact CE1-CB 3.74Å; F6-D300 HydrophobicContact CE2-CB 4.18Å; F6-D300 HydrophobicContact CG-CB 4.25Å; F6-D300 HydrophobicContact CZ-CB 3.9Å; F6-W306 HydrophobicContact CE1-CD2 4.21Å; F6-W306 AromaticContact CE1-CE2 3.97Å; F6-W306 HydrophobicContact CE1-CG 4.4Å; F6-W306 HydrophobicContact CE1-CZ2 4.35Å; F6-W306 HydrophobicContact CE2-CB 4.25Å; F6-W306 HydrophobicContact CE2-CG 4.13Å; F6-W306 HydrophobicContact CZ-CB 3.94Å; F6-W306 AromaticContact CZ-CD1 3.43Å; F6-W306 VanDerWaalsContact CZ-CD1 3.43Å; F6-W306 AromaticContact CZ-CD2 3.63Å; F6-W306 HydrophobicContact CZ-CD2 3.63Å; F6-W306 AromaticContact CZ-CE2 3.76Å; F6-W306 HydrophobicContact CZ-CE3 4.33Å; F6-W306 AromaticContact CZ-CG 3.43Å; F6-W306 HydrophobicContact CZ-CG 3.43Å; F6-W306 VanDerWaalsContact CZ-CG 3.43Å; F6-W306 AromaticContact CZ-NE1 3.65Å
7C90.6Very high89.2Confident1 Ų119.2 Ų19.21%0.00712%0.117CC..EExtended strand (participates in β ladder)trans-13290.2177-171.90000107.3E9 W10 L12 V67 G71 V74 C88C7-E9 PolarHBondContact O-N 3.29Å; C7-W10 HydrophobicContact CB-CB 4.39Å; C7-W10 PolarHBondContact N-O 3.29Å; C7-W10 WeakPolarHBondContact O-CB 3.38Å; C7-W10 PolarHBondContact O-N 3.35Å; C7-L12 HydrophobicContact CB-CD1 3.54Å; C7-L12 HydrophobicContact CB-CG 4.17Å; C7-V67 HydrophobicContact CB-CG1 3.87Å; C7-G71 CarbonylContact C-O 3.59Å; C7-G71 PolarHBondContact SG-O 3.45Å; C7-V74 HydrophobicContact CB-CG2 4.27Å; C7-C88 PolarHBondContact SG-SG 2.9Å
8G86.9Confident89.4Confident27 Ų2719.7 Ų19.728%0.27812%0.118SC..THydrogen-bonded Turntrans59.8-119.6-167.400000111.5W10G8-W10 VanDerWaalsContact C-N 3.34Å
9E90.8Very high89.6Confident52 Ų5218.7 Ų18.724%0.24311%0.111CC..THydrogen-bonded Turntrans-91.15.9178-59-64.816200113.4C7 T24 K25C7-E9 PolarHBondContact O-N 3.29Å; E9-T24 WeakPolarHBondContact O-CB 3.41Å; E9-T24 WeakPolarHBondContact O-CG2 3.45Å; E9-T24 PolarHBondContact O-N 3.09Å; E9-T24 PolarHBondContact O-OG1 2.92Å; E9-K25 HydrophobicContact CG-CD 4.24Å; E9-K25 IonicContact OE1-NZ 3.54Å; E9-K25 PolarHBondContact OE1-NZ 3.1Å; E9-K25 WeakPolarHBondContact OE2-CD 3.48Å; E9-K25 WeakPolarHBondContact OE2-CE 3.36Å; E9-K25 IonicContact OE2-NZ 3.09Å; E9-K25 PolarHBondContact OE2-NZ 3.35Å
10W93.8Very high89.9Confident19 Ų1918.1 Ų18.17%0.07211%0.108CC..EExtended strand (participates in β ladder)trans-90.7122.3174.9-63.689.1000110.7F6 C7 G8 L12 A21 V22 H23 W92F6-W10 WeakPolarHBondContact CA-O 3.5Å; C7-W10 HydrophobicContact CB-CB 4.39Å; C7-W10 PolarHBondContact N-O 3.29Å; C7-W10 WeakPolarHBondContact O-CB 3.38Å; C7-W10 PolarHBondContact O-N 3.35Å; G8-W10 VanDerWaalsContact C-N 3.34Å; W10-L12 HydrophobicContact CB-CD2 4.09Å; W10-A21 HydrophobicContact CE3-CB 3.89Å; W10-A21 HydrophobicContact CZ3-CB 4.44Å; W10-V22 CarbonylContact C-O 3.56Å; W10-V22 WeakPolarHBondContact CA-O 3.38Å; W10-H23 HydrophobicContact CD2-CB 4.17Å; W10-H23 AromaticContact CE2-CD2 3.76Å; W10-H23 HydrophobicContact CE3-CB 3.93Å; W10-H23 VanDerWaalsContact CE3-N 3.31Å; W10-H23 HydrophobicContact CH2-CB 3.99Å; W10-H23 HydrophobicContact CZ2-CB 4.23Å; W10-H23 AromaticContact CZ2-CD2 3.98Å; W10-H23 HydrophobicContact CZ3-CB 3.84Å; W10-H23 AromaticContact NE1-CD2 3.91Å; W10-W92 HydrophobicContact CB-CZ2 4.48Å; W10-W92 HydrophobicContact CD2-CZ2 4.44Å; W10-W92 AromaticContact CD2-NE1 3.53Å; W10-W92 AromaticContact CE2-NE1 3.61Å; W10-W92 AromaticContact CE3-NE1 3.51Å; W10-W92 HydrophobicContact CG-CZ2 4.4Å; W10-W92 AromaticContact CH2-CD1 3.93Å; W10-W92 AromaticContact CH2-NE1 3.71Å; W10-W92 AromaticContact CZ2-NE1 3.71Å; W10-W92 AromaticContact CZ3-NE1 3.6Å
11F95.4Very high90.1Very high0 Ų017.2 Ų17.20%010%0.103CC..EExtended strand (participates in β ladder)trans-76.8127.8161.5172.5-89.4000108.4L4 F6 A21 V22 T24 W306 L316 V338 L342L4-F11 HydrophobicContact CB-CE2 4.33Å; L4-F11 HydrophobicContact CB-CZ 4.32Å; L4-F11 HydrophobicContact CD1-CE2 4.41Å; F6-F11 HydrophobicContact CE1-CB 4.22Å; F6-F11 AromaticContact CE1-CD2 3.82Å; F6-F11 HydrophobicContact CE1-CD2 3.82Å; F6-F11 AromaticContact CZ-CD2 3.78Å; F6-F11 HydrophobicContact CZ-CD2 3.78Å; F6-F11 HydrophobicContact CZ-CE2 4.37Å; F11-A21 CarbonylContact O-C 3.57Å; F11-A21 WeakPolarHBondContact O-CA 3.33Å; F11-V22 PolarHBondContact N-O 3.27Å; F11-V22 PolarHBondContact O-N 2.84Å; F11-T24 HydrophobicContact CB-CG2 3.79Å; F11-W306 HydrophobicContact CD2-CD2 4.34Å; F11-W306 AromaticContact CD2-CE3 3.72Å; F11-W306 HydrophobicContact CD2-CE3 3.72Å; F11-W306 AromaticContact CD2-CZ3 3.88Å; F11-W306 HydrophobicContact CD2-CZ3 3.88Å; F11-W306 AromaticContact CE2-CE3 3.78Å; F11-W306 HydrophobicContact CE2-CE3 3.78Å; F11-W306 HydrophobicContact CE2-CZ3 4.25Å; F11-W306 HydrophobicContact CG-CZ3 4.48Å; F11-L316 HydrophobicContact CE2-CD1 4.06Å; F11-L316 HydrophobicContact CE2-CD2 4.25Å; F11-L316 HydrophobicContact CZ-CD1 3.97Å; F11-L316 HydrophobicContact CZ-CD2 4.22Å; F11-V338 HydrophobicContact CB-CG1 4.28Å; F11-V338 HydrophobicContact CB-CG2 4.1Å; F11-V338 HydrophobicContact CD1-CG1 3.41Å; F11-V338 VanDerWaalsContact CD1-CG1 3.41Å; F11-V338 HydrophobicContact CD2-CG1 4.31Å; F11-V338 HydrophobicContact CE1-CG1 3.72Å; F11-V338 HydrophobicContact CG-CG1 3.74Å; F11-V338 HydrophobicContact CG-CG2 4.4Å; F11-V338 HydrophobicContact CZ-CG1 4.3Å; F11-L342 HydrophobicContact CE1-CD1 3.82Å; F11-L342 HydrophobicContact CE1-CD2 4.28Å; F11-L342 HydrophobicContact CE1-CG 4.43Å; F11-L342 HydrophobicContact CZ-CD1 4.23Å
12L95.6Very high91.4Very high0 Ų013.7 Ų13.70%09%0.085CC..EExtended strand (participates in β ladder)trans-112.8137.6179.2-53.7-177.3000109.2L4 G5 C7 W10 I20 A21 F65 V67 V74 W92L4-L12 CarbonylContact C-O 3.54Å; L4-L12 VanDerWaalsContact CA-O 3.25Å; L4-L12 WeakPolarHBondContact CA-O 3.42Å; G5-L12 PolarHBondContact N-O 3.09Å; G5-L12 WeakPolarHBondContact O-CB 3.3Å; G5-L12 PolarHBondContact O-N 2.88Å; C7-L12 HydrophobicContact CB-CD1 3.54Å; C7-L12 HydrophobicContact CB-CG 4.17Å; W10-L12 HydrophobicContact CB-CD2 4.09Å; L12-I20 CarbonylContact C-O 3.6Å; L12-I20 WeakPolarHBondContact CA-O 3.47Å; L12-A21 HydrophobicContact CD2-CB 3.31Å; L12-F65 HydrophobicContact CB-CE2 4.12Å; L12-F65 HydrophobicContact CB-CZ 3.8Å; L12-F65 HydrophobicContact CD1-CE2 3.89Å; L12-F65 HydrophobicContact CD1-CZ 3.53Å; L12-F65 HydrophobicContact CG-CZ 4.3Å; L12-V67 HydrophobicContact CD1-CG2 3.83Å; L12-V74 HydrophobicContact CD1-CG1 4.44Å; L12-V74 HydrophobicContact CD1-CG2 3.52Å; L12-W92 HydrophobicContact CD1-CH2 4.32Å; L12-W92 HydrophobicContact CD2-CH2 3.48Å; L12-W92 VanDerWaalsContact CD2-CH2 3.48Å; L12-W92 HydrophobicContact CD2-CZ2 3.52Å
13S94.2Very high91.9Very high4 Ų413.8 Ų13.83%0.0288%0.084CC..EExtended strand (participates in β ladder)trans-142.1140.9167.7-177.70000111.4C3 I20C3-S13 CarbonylContact O-C 3.53Å; C3-S13 WeakPolarHBondContact O-CA 3.37Å; C3-S13 PolarHBondContact O-OG 2.97Å; S13-I20 PolarHBondContact N-O 3.47Å; S13-I20 PolarHBondContact O-N 3.43Å
14T90.8Very high92Very high1 Ų113.9 Ų13.91%0.0068%0.084CC..EExtended strand (participates in β ladder)trans-104.6137169.863.50000109.2M1 A2 C3 K18 L19 V62 F65M1-T14 PolarHBondContact O-OG1 3.14Å; M1-T14 VanDerWaalsContact O-OG1 3.13Å; A2-T14 VanDerWaalsContact CA-O 3.27Å; A2-T14 WeakPolarHBondContact CA-O 3.42Å; C3-T14 VanDerWaalsContact CB-OG1 3.28Å; C3-T14 WeakPolarHBondContact CB-OG1 3.44Å; C3-T14 PolarHBondContact N-O 3.34Å; C3-T14 PolarHBondContact N-OG1 3.39Å; C3-T14 VanDerWaalsContact N-OG1 3.14Å; C3-T14 PolarHBondContact O-N 3.44Å; T14-K18 CarbonylContact C-O 3.54Å; T14-K18 VanDerWaalsContact CA-O 3.24Å; T14-K18 WeakPolarHBondContact CA-O 3.39Å; T14-L19 HydrophobicContact CG2-CD1 3.85Å; T14-V62 HydrophobicContact CG2-CG1 3.94Å; T14-F65 HydrophobicContact CG2-CB 4.26Å; T14-F65 HydrophobicContact CG2-CD2 3.89Å; T14-F65 HydrophobicContact CG2-CG 4.28Å
15C83.2Confident91.8Very high13 Ų1318.2 Ų18.29%0.08810%0.103CC..EExtended strand (participates in β ladder)trans-142.5118.5174.6-178.60000109.2S17 K18C15-S17 PolarHBondContact O-N 3.06Å; C15-S17 VanDerWaalsContact O-N 3.08Å; C15-K18 PolarHBondContact N-O 3.41Å; C15-K18 PolarHBondContact O-N 3.14Å
16S85.4Confident91.5Very high56 Ų5622 Ų2239%0.39212%0.118SC..THydrogen-bonded Turntrans51.2-112.9-174-171.60000111.4V62S16-V62 PolarHBondContact O-N 2.73Å
17S89.9Confident91.2Very high16 Ų1625.9 Ų25.911%0.11215%0.146CC..THydrogen-bonded Turntrans-89.8-1.9179.667.10000115.2C15 D34 C35 D60C15-S17 PolarHBondContact O-N 3.06Å; C15-S17 VanDerWaalsContact O-N 3.08Å; S17-D34 PolarHBondContact OG-OD1 3.09Å; S17-C35 VanDerWaalsContact O-CB 3.29Å; S17-C35 WeakPolarHBondContact O-CB 3.13Å; S17-C35 PolarHBondContact O-N 2.84Å; S17-C35 PolarHBondContact O-SG 3.2Å; S17-D60 WeakPolarHBondContact CA-O 3.36Å; S17-D60 WeakPolarHBondContact CB-O 3.34Å
18K91.8Very high91.1Very high29 Ų2931.2 Ų31.213%0.12617%0.166CC..EExtended strand (participates in β ladder)trans-107140.4-171.1-62.8-180-175.5174.20112.4T14 C15 I20 V32 F33 D34T14-K18 CarbonylContact C-O 3.54Å; T14-K18 VanDerWaalsContact CA-O 3.24Å; T14-K18 WeakPolarHBondContact CA-O 3.39Å; C15-K18 PolarHBondContact N-O 3.41Å; C15-K18 PolarHBondContact O-N 3.14Å; K18-I20 HydrophobicContact CB-CG1 4.44Å; K18-V32 HydrophobicContact CD-CG1 4.32Å; K18-F33 CarbonylContact C-O 3.52Å; K18-F33 VanDerWaalsContact CA-O 3.27Å; K18-F33 WeakPolarHBondContact CA-O 3.44Å; K18-D34 HydrophobicContact CG-CB 4.19Å
19L94.3Very high91.2Very high0 Ų038.3 Ų38.30%019%0.191CC..EExtended strand (participates in β ladder)trans-102.9124.9159.3171.366.3000108T14 F31 V32 F33 F65 V74 I76 F86 W92T14-L19 HydrophobicContact CG2-CD1 3.85Å; L19-F31 HydrophobicContact CD2-CE1 4.45Å; L19-V32 WeakPolarHBondContact O-CA 3.4Å; L19-F33 HydrophobicContact CB-CB 4.36Å; L19-F33 PolarHBondContact N-O 3.28Å; L19-F33 PolarHBondContact O-N 2.95Å; L19-F65 HydrophobicContact CD1-CD2 4.17Å; L19-F65 HydrophobicContact CD1-CE2 3.91Å; L19-V74 HydrophobicContact CD2-CG1 4.12Å; L19-I76 HydrophobicContact CB-CD1 4.2Å; L19-I76 HydrophobicContact CD2-CD1 4.42Å; L19-I76 HydrophobicContact CD2-CG2 4.26Å; L19-F86 HydrophobicContact CD2-CD2 3.94Å; L19-F86 HydrophobicContact CD2-CE2 3.73Å; L19-F86 HydrophobicContact CD2-CZ 4.3Å; L19-W92 HydrophobicContact CD2-CZ3 4.26Å
20I94.5Very high91.4Very high7 Ų738 Ų384%0.03619%0.194CC..EExtended strand (participates in β ladder)trans-117.9130.2179.5-58165.4000107.7L12 S13 K18 V22 F31 V32 L342 Q345L12-I20 CarbonylContact C-O 3.6Å; L12-I20 WeakPolarHBondContact CA-O 3.47Å; S13-I20 PolarHBondContact N-O 3.47Å; S13-I20 PolarHBondContact O-N 3.43Å; K18-I20 HydrophobicContact CB-CG1 4.44Å; I20-V22 HydrophobicContact CG2-CG2 4.05Å; I20-F31 CarbonylContact C-O 3.56Å; I20-F31 WeakPolarHBondContact CA-O 3.42Å; I20-V32 HydrophobicContact CG1-CG1 4.37Å; I20-V32 HydrophobicContact CG1-CG2 4.42Å; I20-V32 HydrophobicContact CG2-CG2 4.42Å; I20-L342 HydrophobicContact CD1-CD2 4.42Å; I20-L342 HydrophobicContact CG2-CD2 4.35Å; I20-Q345 HydrophobicContact CD1-CB 3.69Å; I20-Q345 HydrophobicContact CD1-CG 4.06Å
21A95.4Very high91.4Very high0 Ų039.2 Ų39.20%020%0.2CC..EExtended strand (participates in β ladder)trans-124.2127.2173.400000110.7W10 F11 L12 P30 F31 W92W10-A21 HydrophobicContact CE3-CB 3.89Å; W10-A21 HydrophobicContact CZ3-CB 4.44Å; F11-A21 CarbonylContact O-C 3.57Å; F11-A21 WeakPolarHBondContact O-CA 3.33Å; L12-A21 HydrophobicContact CD2-CB 3.31Å; A21-P30 CarbonylContact O-C 3.51Å; A21-P30 VanDerWaalsContact O-CA 3.29Å; A21-P30 WeakPolarHBondContact O-CA 3.45Å; A21-F31 HydrophobicContact CB-CB 4.18Å; A21-F31 HydrophobicContact CB-CD1 4.28Å; A21-F31 PolarHBondContact N-O 2.82Å; A21-F31 PolarHBondContact O-N 2.92Å; A21-W92 HydrophobicContact CB-CD2 4.45Å; A21-W92 HydrophobicContact CB-CH2 3.76Å; A21-W92 HydrophobicContact CB-CZ2 3.16Å
22V94.9Very high91.3Very high1 Ų141.8 Ų41.81%0.00622%0.216CC..EExtended strand (participates in β ladder)trans-122.6124.2-178.6-174.90000109.3W10 F11 I20 T24 P30 V338 I341W10-V22 CarbonylContact C-O 3.56Å; W10-V22 WeakPolarHBondContact CA-O 3.38Å; F11-V22 PolarHBondContact N-O 3.27Å; F11-V22 PolarHBondContact O-N 2.84Å; I20-V22 HydrophobicContact CG2-CG2 4.05Å; V22-T24 PolarHBondContact O-N 3.28Å; V22-P30 HydrophobicContact CG2-CB 4.31Å; V22-V338 HydrophobicContact CB-CG2 4.28Å; V22-V338 HydrophobicContact CG1-CG2 3.96Å; V22-I341 HydrophobicContact CG1-CB 4.4Å; V22-I341 HydrophobicContact CG1-CD1 3.47Å; V22-I341 VanDerWaalsContact CG1-CD1 3.47Å; V22-I341 HydrophobicContact CG1-CG1 4.5Å; V22-I341 HydrophobicContact CG2-CB 4.2Å; V22-I341 HydrophobicContact CG2-CG2 3.64Å
23H93.4Very high91.2Very high15 Ų1543.4 Ų43.47%0.06922%0.222CC..EExtended strand (participates in β ladder)trans-71.8121.1174.2-168-79.3000109.3W10 K25 E26 R28 R337W10-H23 HydrophobicContact CD2-CB 4.17Å; W10-H23 AromaticContact CE2-CD2 3.76Å; W10-H23 HydrophobicContact CE3-CB 3.93Å; W10-H23 VanDerWaalsContact CE3-N 3.31Å; W10-H23 HydrophobicContact CH2-CB 3.99Å; W10-H23 HydrophobicContact CZ2-CB 4.23Å; W10-H23 AromaticContact CZ2-CD2 3.98Å; W10-H23 HydrophobicContact CZ3-CB 3.84Å; W10-H23 AromaticContact NE1-CD2 3.91Å; H23-K25 PolarHBondContact ND1-N 2.92Å; H23-E26 PolarHBondContact CE1-N 3.32Å; H23-E26 VanDerWaalsContact CE1-N 3.31Å; H23-E26 WeakPolarHBondContact ND1-CB 3.26Å; H23-E26 PolarHBondContact ND1-N 3.31Å; H23-E26 PolarHBondContact ND1-O 3.22Å; H23-R28 HydrophobicContact CB-CB 4.13Å; H23-R28 HydrophobicContact CB-CG 4.35Å; H23-R337 VanDerWaalsContact O-CD 3.23Å; H23-R337 WeakPolarHBondContact O-CD 3.39Å
24T91.9Very high91.2Very high6 Ų644.5 Ų44.54%0.03723%0.228CC..SBendtrans-72.8-36.8-169.954.80000113E9 F11 V22 W306 R337 V338E9-T24 WeakPolarHBondContact O-CB 3.41Å; E9-T24 WeakPolarHBondContact O-CG2 3.45Å; E9-T24 PolarHBondContact O-N 3.09Å; E9-T24 PolarHBondContact O-OG1 2.92Å; F11-T24 HydrophobicContact CB-CG2 3.79Å; V22-T24 PolarHBondContact O-N 3.28Å; T24-W306 HydrophobicContact CG2-CH2 4.26Å; T24-W306 HydrophobicContact CG2-CZ2 4.47Å; T24-R337 WeakPolarHBondContact O-CD 3.42Å; T24-R337 PolarHBondContact O-NE 3.34Å; T24-R337 VanDerWaalsContact O-NE 3.14Å; T24-V338 HydrophobicContact CG2-CG2 4.1Å
25K87.9Confident91.2Very high93 Ų9344.5 Ų44.540%0.40423%0.228SC..SBendtrans-90.4-59.7-174.8-69.2176.9173.1159.70113.9E9 H23 R337E9-K25 HydrophobicContact CG-CD 4.24Å; E9-K25 IonicContact OE1-NZ 3.54Å; E9-K25 PolarHBondContact OE1-NZ 3.1Å; E9-K25 WeakPolarHBondContact OE2-CD 3.48Å; E9-K25 WeakPolarHBondContact OE2-CE 3.36Å; E9-K25 IonicContact OE2-NZ 3.09Å; E9-K25 PolarHBondContact OE2-NZ 3.35Å; H23-K25 PolarHBondContact ND1-N 2.92Å; K25-R337 PolarHBondContact O-NE 2.94Å; K25-R337 PolarHBondContact O-NH2 3.2Å
26E88.2Confident91.4Very high92 Ų9246.4 Ų46.443%0.4324%0.241SC..SBendtrans-84.7144.8-178.1-61176.1-169.200112.8H23 R28H23-E26 PolarHBondContact CE1-N 3.32Å; H23-E26 VanDerWaalsContact CE1-N 3.31Å; H23-E26 WeakPolarHBondContact ND1-CB 3.26Å; H23-E26 PolarHBondContact ND1-N 3.31Å; H23-E26 PolarHBondContact ND1-O 3.22Å; E26-R28 HydrophobicContact CB-CG 4.1Å; E26-R28 PolarHBondContact O-N 3.06Å; E26-R28 IonicContact OE1-NH2 3.41Å; E26-R28 IonicContact OE2-CZ 3.72Å; E26-R28 IonicContact OE2-NE 3.15Å; E26-R28 PolarHBondContact OE2-NE 2.98Å; E26-R28 IonicContact OE2-NH2 3.47Å; E26-R28 PolarHBondContact OE2-NH2 3.5Å
27P86.2Confident91.5Very high112 Ų11254 Ų5473%0.72726%0.261SS*.  trans-76.969.5175.733.9-35.6000111.2
28R88.7Confident91.3Very high112 Ų11253.8 Ų53.842%0.42326%0.261SS..PPolyproline II helixtrans-90.8154.6173.5-61.5-174.9-178.5-167.93.5110.5H23 E26H23-R28 HydrophobicContact CB-CB 4.13Å; H23-R28 HydrophobicContact CB-CG 4.35Å; E26-R28 HydrophobicContact CB-CG 4.1Å; E26-R28 PolarHBondContact O-N 3.06Å; E26-R28 IonicContact OE1-NH2 3.41Å; E26-R28 IonicContact OE2-CZ 3.72Å; E26-R28 IonicContact OE2-NE 3.15Å; E26-R28 PolarHBondContact OE2-NE 2.98Å; E26-R28 IonicContact OE2-NH2 3.47Å; E26-R28 PolarHBondContact OE2-NH2 3.5Å
29E90.1Very high90.9Very high176 Ų17657.5 Ų57.582%0.82228%0.279SS*.PPolyproline II helixtrans-60.5137.4168.5-69.6-171.8164.700109.9
30P93Very high90.2Very high45 Ų4564.5 Ų64.529%0.29231%0.309SS..PPolyproline II helixtrans-68.4140176.729.5-34.5000110.3A21 V22 I341A21-P30 CarbonylContact O-C 3.51Å; A21-P30 VanDerWaalsContact O-CA 3.29Å; A21-P30 WeakPolarHBondContact O-CA 3.45Å; V22-P30 HydrophobicContact CG2-CB 4.31Å; P30-I341 HydrophobicContact CB-CG2 3.73Å; P30-I341 HydrophobicContact CG-CG2 3.77Å
31F94.2Very high89.3Confident46 Ų4669.9 Ų69.920%0.20233%0.329CS..EExtended strand (participates in β ladder)trans-82.3128.5167.6170.7-98.5000108.8L19 I20 A21 F33 F86 W92L19-F31 HydrophobicContact CD2-CE1 4.45Å; I20-F31 CarbonylContact C-O 3.56Å; I20-F31 WeakPolarHBondContact CA-O 3.42Å; A21-F31 HydrophobicContact CB-CB 4.18Å; A21-F31 HydrophobicContact CB-CD1 4.28Å; A21-F31 PolarHBondContact N-O 2.82Å; A21-F31 PolarHBondContact O-N 2.92Å; F31-F33 HydrophobicContact CE1-CB 3.81Å; F31-F33 HydrophobicContact CZ-CB 3.81Å; F31-F33 HydrophobicContact CZ-CD2 4.33Å; F31-F86 HydrophobicContact CE1-CD1 4.35Å; F31-F86 HydrophobicContact CE1-CE1 4.31Å; F31-F86 HydrophobicContact CZ-CD1 4.06Å; F31-F86 AromaticContact CZ-CE1 3.93Å; F31-F86 HydrophobicContact CZ-CE1 3.93Å; F31-W92 HydrophobicContact CB-CB 4.15Å; F31-W92 HydrophobicContact CB-CD2 4.02Å; F31-W92 HydrophobicContact CB-CG 3.63Å; F31-W92 HydrophobicContact CD1-CB 4.1Å; F31-W92 AromaticContact CD1-CD2 3.39Å; F31-W92 HydrophobicContact CD1-CD2 3.39Å; F31-W92 AromaticContact CD1-CE3 3.38Å; F31-W92 HydrophobicContact CD1-CE3 3.38Å; F31-W92 AromaticContact CD1-CG 3.71Å; F31-W92 HydrophobicContact CD1-CG 3.71Å; F31-W92 AromaticContact CD1-CZ3 3.97Å; F31-W92 HydrophobicContact CD1-CZ3 3.97Å; F31-W92 HydrophobicContact CD2-CB 3.35Å; F31-W92 HydrophobicContact CD2-CD2 4.3Å; F31-W92 AromaticContact CD2-CG 3.74Å; F31-W92 HydrophobicContact CD2-CG 3.74Å; F31-W92 HydrophobicContact CE1-CB 4.32Å; F31-W92 AromaticContact CE1-CD2 3.84Å; F31-W92 HydrophobicContact CE1-CD2 3.84Å; F31-W92 AromaticContact CE1-CE3 3.34Å; F31-W92 HydrophobicContact CE1-CE3 3.34Å; F31-W92 HydrophobicContact CE1-CG 4.26Å; F31-W92 AromaticContact CE1-CZ3 3.92Å; F31-W92 HydrophobicContact CE1-CZ3 3.92Å; F31-W92 HydrophobicContact CE2-CB 3.62Å; F31-W92 HydrophobicContact CE2-CG 4.28Å; F31-W92 HydrophobicContact CG-CB 3.6Å; F31-W92 AromaticContact CG-CD1 3.88Å; F31-W92 AromaticContact CG-CD2 3.64Å; F31-W92 HydrophobicContact CG-CD2 3.64Å; F31-W92 HydrophobicContact CG-CE3 4.07Å; F31-W92 AromaticContact CG-CG 3.4Å; F31-W92 HydrophobicContact CG-CG 3.4Å; F31-W92 VanDerWaalsContact CG-CG 3.4Å; F31-W92 HydrophobicContact CZ-CB 4.09Å; F31-W92 HydrophobicContact CZ-CD2 4.44Å; F31-W92 HydrophobicContact CZ-CE3 4.02Å
32V94Very high88.2Confident54 Ų5476.3 Ų76.333%0.32736%0.362SS..EExtended strand (participates in β ladder)trans-129.8119.4177.4-176.60000108.6K18 L19 I20K18-V32 HydrophobicContact CD-CG1 4.32Å; L19-V32 WeakPolarHBondContact O-CA 3.4Å; I20-V32 HydrophobicContact CG1-CG1 4.37Å; I20-V32 HydrophobicContact CG1-CG2 4.42Å; I20-V32 HydrophobicContact CG2-CG2 4.42Å
33F94Very high86.5Confident33 Ų3383 Ų8315%0.14539%0.391CS..EExtended strand (participates in β ladder)trans-111123.6172.9-174.2-87.8000109.4K18 L19 F31 A38 I76 I84 F86K18-F33 CarbonylContact C-O 3.52Å; K18-F33 VanDerWaalsContact CA-O 3.27Å; K18-F33 WeakPolarHBondContact CA-O 3.44Å; L19-F33 HydrophobicContact CB-CB 4.36Å; L19-F33 PolarHBondContact N-O 3.28Å; L19-F33 PolarHBondContact O-N 2.95Å; F31-F33 HydrophobicContact CE1-CB 3.81Å; F31-F33 HydrophobicContact CZ-CB 3.81Å; F31-F33 HydrophobicContact CZ-CD2 4.33Å; F33-A38 HydrophobicContact CE1-CB 3.93Å; F33-A38 HydrophobicContact CZ-CB 3.59Å; F33-I76 HydrophobicContact CD1-CD1 4.38Å; F33-I84 HydrophobicContact CD1-CD1 4.48Å; F33-I84 HydrophobicContact CE1-CD1 3.44Å; F33-I84 VanDerWaalsContact CE1-CD1 3.44Å; F33-I84 HydrophobicContact CZ-CD1 3.8Å; F33-I84 HydrophobicContact CZ-CG2 4.26Å; F33-F86 HydrophobicContact CB-CE1 4.32Å; F33-F86 HydrophobicContact CB-CZ 4.11Å; F33-F86 HydrophobicContact CD1-CE1 4.45Å; F33-F86 AromaticContact CD1-CZ 3.73Å; F33-F86 HydrophobicContact CD1-CZ 3.73Å; F33-F86 AromaticContact CD2-CE1 3.6Å; F33-F86 HydrophobicContact CD2-CE1 3.6Å; F33-F86 AromaticContact CD2-CZ 3.72Å; F33-F86 HydrophobicContact CD2-CZ 3.72Å; F33-F86 HydrophobicContact CE1-CZ 4.02Å; F33-F86 AromaticContact CE2-CE1 3.93Å; F33-F86 HydrophobicContact CE2-CE1 3.93Å; F33-F86 AromaticContact CE2-CZ 3.99Å; F33-F86 HydrophobicContact CE2-CZ 3.99Å; F33-F86 AromaticContact CG-CE1 3.87Å; F33-F86 HydrophobicContact CG-CE1 3.87Å; F33-F86 AromaticContact CG-CZ 3.56Å; F33-F86 HydrophobicContact CG-CZ 3.56Å; F33-F86 HydrophobicContact CZ-CE1 4.48Å; F33-F86 HydrophobicContact CZ-CZ 4.12Å
34D92.9Very high84.7Confident28 Ų2886.2 Ų86.215%0.1541%0.412CS..EExtended strand (participates in β ladder)trans-109.7112.8179.6-170.3-16.1000109.8S17 K18 S36 R37 A38S17-D34 PolarHBondContact OG-OD1 3.09Å; K18-D34 HydrophobicContact CG-CB 4.19Å; D34-S36 PolarHBondContact O-N 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.33Å; D34-S36 PolarHBondContact OD1-N 3.34Å; D34-S36 VanDerWaalsContact OD1-N 3.07Å; D34-S36 PolarHBondContact OD1-OG 2.85Å; D34-S36 PolarHBondContact OD2-OG 3.36Å; D34-R37 HydrophobicContact CB-CG 4.36Å; D34-R37 PolarHBondContact O-N 3.42Å; D34-A38 PolarHBondContact O-N 3.22Å
35C90.8Very high82.5Confident0 Ų090 Ų900%044%0.444CS..G310 helixtrans-60.2-28.8-177.9-61.50000111.7S17 R37 A38 D60 R82S17-C35 VanDerWaalsContact O-CB 3.29Å; S17-C35 WeakPolarHBondContact O-CB 3.13Å; S17-C35 PolarHBondContact O-N 2.84Å; S17-C35 PolarHBondContact O-SG 3.2Å; C35-R37 PolarHBondContact O-N 2.84Å; C35-R37 VanDerWaalsContact O-N 3.11Å; C35-A38 WeakPolarHBondContact O-CB 3.45Å; C35-A38 PolarHBondContact O-N 3.19Å; C35-D60 HydrophobicContact CB-CB 3.96Å; C35-D60 WeakPolarHBondContact CB-O 3.31Å; C35-R82 PolarHBondContact O-NH1 2.82Å; C35-R82 PolarHBondContact O-NH2 2.82Å
36S87.7Confident80.7Confident53 Ų5394.3 Ų94.337%0.37146%0.463SS..G310 helixtrans-62.7-21.4176.6700000114D34 D60D34-S36 PolarHBondContact O-N 3.24Å; D34-S36 WeakPolarHBondContact OD1-CB 3.33Å; D34-S36 PolarHBondContact OD1-N 3.34Å; D34-S36 VanDerWaalsContact OD1-N 3.07Å; D34-S36 PolarHBondContact OD1-OG 2.85Å; D34-S36 PolarHBondContact OD2-OG 3.36Å; S36-D60 WeakPolarHBondContact CA-OD2 3.45Å
37R88.3Confident79Confident215 Ų21592.9 Ų92.981%0.81146%0.458SS*.G310 helixtrans-101.4-6.2178.2-58-177.8-177.1-173.8-1.6113.2D34 C35D34-R37 HydrophobicContact CB-CG 4.36Å; D34-R37 PolarHBondContact O-N 3.42Å; C35-R37 PolarHBondContact O-N 2.84Å; C35-R37 VanDerWaalsContact O-N 3.11Å
38A86.2Confident77.2Confident13 Ų1392.9 Ų92.911%0.10746%0.456CS..SBendtrans-75164.6-179.400000111.8F33 D34 C35 R82 I97F33-A38 HydrophobicContact CE1-CB 3.93Å; F33-A38 HydrophobicContact CZ-CB 3.59Å; D34-A38 PolarHBondContact O-N 3.22Å; C35-A38 WeakPolarHBondContact O-CB 3.45Å; C35-A38 PolarHBondContact O-N 3.19Å; A38-R82 PolarHBondContact O-NH1 3.01Å; A38-I97 HydrophobicContact CB-CD1 4.36Å
39E82.1Confident75.1Confident107 Ų10794.5 Ų94.550%0.547%0.472SS..PPolyproline II helixtrans-53.4141.4179.7-173.8173.9178.500111.7R82 I97E39-R82 VanDerWaalsContact O-CD 3.28Å; E39-R82 WeakPolarHBondContact O-CD 3.5Å; E39-R82 PolarHBondContact O-NH1 2.86Å; E39-I97 HydrophobicContact CB-CD1 4.11Å
40K80.2Confident72.9Confident146 Ų14688.3 Ų88.364%0.63546%0.456SS*.PPolyproline II helixtrans-103.4141177.6-65.9-172.2177.9-174.20109.5I42K40-I42 PolarHBondContact O-N 2.85Å; K40-I42 VanDerWaalsContact O-N 3.16Å
41R76.4Confident70.3Confident120 Ų12092 Ų9245%0.45348%0.483SS..PPolyproline II helixtrans-56.4120.9178.5-166174164165.6-6.1110.5K43 D47 W99R41-K43 PolarHBondContact O-N 3.27Å; R41-D47 IonicContact CZ-OD1 2.69Å; R41-D47 IonicContact NE-OD2 3.11Å; R41-D47 IonicContact NH2-OD1 2.68Å; R41-D47 PolarHBondContact NH2-OD1 3.03Å; R41-D47 IonicContact NH2-OD2 3.14Å; R41-W99 VanDerWaalsContact CB-NE1 3.29Å; R41-W99 HydrophobicContact CG-CD2 4.37Å; R41-W99 HydrophobicContact CG-CG 4.19Å
42I71.6Confident67.8Low136 Ų13694.5 Ų94.570%0.69750%0.499SS*.  trans-75.5113.8169.9-58.6174.5000107.5K40 T44K40-I42 PolarHBondContact O-N 2.85Å; K40-I42 VanDerWaalsContact O-N 3.16Å; I42-T44 PolarHBondContact O-N 3.42Å
43K59.1Low65.1Low142 Ų14296.8 Ų96.862%0.61752%0.523SS*.  trans-65.8126.8178.3-68.6-177.8177.7179.80109.7R41 E55R41-K43 PolarHBondContact O-N 3.27Å; K43-E55 IonicContact NZ-OE1 3.29Å; K43-E55 PolarHBondContact NZ-OE1 3.37Å
44T54.6Low62.6Low81 Ų8199.3 Ų99.350%0.49755%0.545SS..  trans-100.3161172.863.90000110.6I42 K46 D47I42-T44 PolarHBondContact O-N 3.42Å; T44-K46 PolarHBondContact O-N 3.06Å; T44-D47 PolarHBondContact N-OD2 3.41Å; T44-D47 WeakPolarHBondContact O-CB 3.32Å; T44-D47 PolarHBondContact O-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 2.52Å
45A46.4Very low60.4Low85 Ų85105.3 Ų105.370%0.70257%0.572SS**THydrogen-bonded Turntrans-57.7-19.7-176.900000114.6
46K50.3Low58.6Low185 Ų185109.9 Ų109.980%0.80459%0.593SS**THydrogen-bonded Turntrans-72.9-27.6173.7-77.8-176.8177.31780113.4T44 V48T44-K46 PolarHBondContact O-N 3.06Å; K46-V48 PolarHBondContact O-N 3.05Å
47D51.6Low57.3Low61 Ų61113.7 Ų113.733%0.32662%0.615SS.*THydrogen-bonded Turntrans-73-18.7-179.1-63.6-45.6000112.5R41 T44R41-D47 IonicContact CZ-OD1 2.69Å; R41-D47 IonicContact NE-OD2 3.11Å; R41-D47 IonicContact NH2-OD1 2.68Å; R41-D47 PolarHBondContact NH2-OD1 3.03Å; R41-D47 IonicContact NH2-OD2 3.14Å; T44-D47 PolarHBondContact N-OD2 3.41Å; T44-D47 WeakPolarHBondContact O-CB 3.32Å; T44-D47 PolarHBondContact O-N 2.86Å; T44-D47 PolarHBondContact OG1-OD2 2.52Å
48V50.1Low56.2Low113 Ų113104.4 Ų104.469%0.68559%0.585SS**THydrogen-bonded Turntrans-81.5-23.8-178.1-173.70000112.3K46K46-V48 PolarHBondContact O-N 3.05Å
49N43.9Very low56.1Low145 Ų145107.4 Ų107.478%0.77561%0.606SS**SBendtrans-98.7-3.2-175.6-73.6-13.4000113.9
50G43.6Very low56.4Low47 Ų47103.5 Ų103.549%0.48559%0.588SS.*SBendtrans-84.2126.2173.900000110.8D52G50-D52 PolarHBondContact O-N 2.88Å
51S39.4Very low56.9Low123 Ų12397.9 Ų97.986%0.8657%0.566SS**SBendtrans-67.318.3-175.758.60000116.2A53S51-A53 PolarHBondContact O-N 3.08Å; S51-A53 VanDerWaalsContact O-N 3.09Å
52D41.3Very low57.7Low98 Ų9892.2 Ų92.252%0.52455%0.545SS..  trans-84.457.1169.9-93.7-17.9000109.7G50 S54 R102G50-D52 PolarHBondContact O-N 2.88Å; D52-S54 PolarHBondContact O-N 3Å; D52-R102 VanDerWaalsContact CG-NH1 3.27Å; D52-R102 IonicContact OD1-CZ 3.02Å; D52-R102 IonicContact OD1-NH1 3.87Å; D52-R102 PolarHBondContact OD1-NH1 3.19Å; D52-R102 IonicContact OD1-NH2 3.72Å; D52-R102 PolarHBondContact OD1-NH2 3.21Å; D52-R102 IonicContact OD2-CZ 3.11Å; D52-R102 IonicContact OD2-NH1 2.82Å; D52-R102 PolarHBondContact OD2-NH1 2.9Å; D52-R102 IonicContact OD2-NH2 2.75Å; D52-R102 PolarHBondContact OD2-NH2 3.39Å
53A37.4Very low58.8Low102 Ų10287.8 Ų87.884%0.84352%0.523SS*.  trans-83.758.6-18000000111.8S51S51-A53 PolarHBondContact O-N 3.08Å; S51-A53 VanDerWaalsContact O-N 3.09Å
54S41.6Very low60.4Low86 Ų8681.4 Ų81.460%0.60150%0.496SS*.  trans-128.5101.915263.40000106.7D52 E56D52-S54 PolarHBondContact O-N 3Å; S54-E56 PolarHBondContact O-N 3.34Å
55E46.8Very low62.4Low154 Ų15479.2 Ų79.272%0.7248%0.48SS*.  trans-62.686.8169.4-68.7-169.7138.500108K43 T57K43-E55 IonicContact NZ-OE1 3.29Å; K43-E55 PolarHBondContact NZ-OE1 3.37Å; E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.24Å
56E52.2Low64.7Low96 Ų9675.6 Ų75.645%0.44945%0.45SS..  trans-71.596.4167.5-62.9-173.1115.700106.5S54 G58 R103 K121S54-E56 PolarHBondContact O-N 3.34Å; E56-G58 PolarHBondContact O-N 2.8Å; E56-R103 VanDerWaalsContact CD-CZ 3.42Å; E56-R103 IonicContact OE1-CZ 3.94Å; E56-R103 IonicContact OE1-NH1 2.79Å; E56-R103 PolarHBondContact OE1-NH1 3.11Å; E56-R103 IonicContact OE1-NH2 2.73Å; E56-R103 PolarHBondContact OE1-NH2 3.05Å; E56-R103 IonicContact OE2-CZ 3.92Å; E56-R103 IonicContact OE2-NE 3.91Å; E56-R103 IonicContact OE2-NH1 2.96Å; E56-R103 PolarHBondContact OE2-NH1 2.57Å; E56-R103 IonicContact OE2-NH2 3.94Å; E56-R103 PolarHBondContact OE2-NH2 3.37Å; E56-R103 VanDerWaalsContact OE2-NH2 3.09Å; E56-K121 IonicContact OE2-NZ 2.65Å
57T60.7Low66.9Low133 Ų13368.6 Ų68.682%0.81642%0.423SS*.  trans-61.689.1165.149.70000107.7E55E55-T57 VanDerWaalsContact C-N 3.31Å; E55-T57 PolarHBondContact O-N 3.24Å
58G65.8Low69Low19 Ų1966 Ų6620%0.19641%0.41CS..  trans-62.4150.3173.800000110.3E56 D60 D79E56-G58 PolarHBondContact O-N 2.8Å; G58-D60 VanDerWaalsContact C-N 3.27Å; G58-D79 WeakPolarHBondContact CA-OD2 3.02Å
59S83.4Confident71Confident76 Ų7664.2 Ų64.253%0.53140%0.402SS..  trans-92.717.3-179.773.60000112.7T61 D79S59-T61 PolarHBondContact O-N 2.97Å; S59-T61 PolarHBondContact OG-OG1 3.39Å; S59-D79 VanDerWaalsContact N-CG 3.35Å; S59-D79 PolarHBondContact N-OD1 3.02Å; S59-D79 VanDerWaalsContact N-OD1 3.16Å; S59-D79 PolarHBondContact N-OD2 3.49Å; S59-D79 PolarHBondContact OG-OD2 2.82Å
60D88.5Confident73.3Confident25 Ų2559.9 Ų59.913%0.13438%0.383CS..  trans61.221.9-175.5-53.3-66000113.2S17 C35 S36 G58 D79 T80 R82S17-D60 WeakPolarHBondContact CA-O 3.36Å; S17-D60 WeakPolarHBondContact CB-O 3.34Å; C35-D60 HydrophobicContact CB-CB 3.96Å; C35-D60 WeakPolarHBondContact CB-O 3.31Å; S36-D60 WeakPolarHBondContact CA-OD2 3.45Å; G58-D60 VanDerWaalsContact C-N 3.27Å; D60-D79 WeakPolarHBondContact CA-OD1 3.3Å; D60-D79 PolarHBondContact N-OD1 2.75Å; D60-T80 WeakPolarHBondContact OD1-CG2 3.28Å; D60-R82 IonicContact OD1-CZ 3.8Å; D60-R82 IonicContact OD1-NH1 3.07Å; D60-R82 IonicContact OD1-NH2 3.51Å; D60-R82 PolarHBondContact OD1-NH2 3.02Å
61T90.9Very high75.5Confident28 Ų2858.1 Ų58.117%0.17237%0.365CS..  trans-74129.7-176.3-64.80000110.8S59 L63 D78 D79S59-T61 PolarHBondContact O-N 2.97Å; S59-T61 PolarHBondContact OG-OG1 3.39Å; T61-L63 PolarHBondContact O-N 3.45Å; T61-D78 CarbonylContact O-C 3.53Å; T61-D78 WeakPolarHBondContact O-CA 3.37Å; T61-D78 VanDerWaalsContact O-CB 3.3Å; T61-D78 WeakPolarHBondContact O-CB 3.44Å; T61-D79 PolarHBondContact N-OD1 2.82Å; T61-D79 PolarHBondContact O-N 3.26Å
62V93.3Very high78Confident1 Ų157 Ų571%0.00635%0.345CS..EExtended strand (participates in β ladder)trans-64.7125.2173.4-178.20000110.2M1 T14 S16 I76 T77M1-V62 PolarHBondContact N-O 2.95Å; T14-V62 HydrophobicContact CG2-CG1 3.94Å; S16-V62 PolarHBondContact O-N 2.73Å; V62-I76 HydrophobicContact CG1-CB 4.22Å; V62-I76 HydrophobicContact CG1-CG2 4.45Å; V62-I76 HydrophobicContact CG2-CD1 4.35Å; V62-T77 CarbonylContact C-O 3.59Å; V62-T77 WeakPolarHBondContact CA-O 3.39Å
63L93.3Very high80.6Confident44 Ų4453.2 Ų53.223%0.2332%0.324CS..EExtended strand (participates in β ladder)trans-103.2-44.4-176.3-65.4-174.6000113T61 T77 D79 R103T61-L63 PolarHBondContact O-N 3.45Å; L63-T77 PolarHBondContact N-O 3.4Å; L63-D79 HydrophobicContact CD1-CB 3.94Å; L63-D79 HydrophobicContact CD2-CB 4.17Å; L63-D79 HydrophobicContact CG-CB 4.13Å; L63-R103 HydrophobicContact CD1-CB 3.8Å; L63-R103 HydrophobicContact CD1-CG 4Å
64A94.1Very high83.5Confident7 Ų748.3 Ų48.36%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-139.5151.1178.700000110.6I76 T77 L107A64-I76 WeakPolarHBondContact O-CA 3.32Å; A64-T77 PolarHBondContact N-OG1 3.39Å; A64-T77 PolarHBondContact O-N 3.24Å; A64-L107 HydrophobicContact CB-CD1 4.11Å; A64-L107 HydrophobicContact CB-CG 3.88Å
65F94.9Very high86.2Confident35 Ų3544.2 Ų44.215%0.15426%0.255CS..EExtended strand (participates in β ladder)trans-142.8139.7-174.9162.6-85.4000108.8L12 T14 L19 V67 V74 A75 I76L12-F65 HydrophobicContact CB-CE2 4.12Å; L12-F65 HydrophobicContact CB-CZ 3.8Å; L12-F65 HydrophobicContact CD1-CE2 3.89Å; L12-F65 HydrophobicContact CD1-CZ 3.53Å; L12-F65 HydrophobicContact CG-CZ 4.3Å; T14-F65 HydrophobicContact CG2-CB 4.26Å; T14-F65 HydrophobicContact CG2-CD2 3.89Å; T14-F65 HydrophobicContact CG2-CG 4.28Å; L19-F65 HydrophobicContact CD1-CD2 4.17Å; L19-F65 HydrophobicContact CD1-CE2 3.91Å; F65-V67 HydrophobicContact CE1-CG2 3.55Å; F65-V67 HydrophobicContact CE2-CG2 4.34Å; F65-V67 HydrophobicContact CZ-CG2 3.32Å; F65-V74 HydrophobicContact CD2-CG1 4.05Å; F65-V74 HydrophobicContact CE2-CG1 3.51Å; F65-V74 HydrophobicContact CZ-CG1 4.34Å; F65-A75 CarbonylContact C-O 3.52Å; F65-A75 WeakPolarHBondContact CA-O 3.47Å; F65-I76 HydrophobicContact CB-CG2 4.32Å; F65-I76 HydrophobicContact CD2-CG2 3.71Å; F65-I76 HydrophobicContact CG-CG2 4.48Å
66A96.6Very high88.6Confident10 Ų1036.9 Ų36.98%0.08322%0.221CC..EExtended strand (participates in β ladder)trans-143.2149173.400000111.3V74 A75 L107 F109A66-V74 WeakPolarHBondContact O-CA 3.39Å; A66-A75 PolarHBondContact N-O 3.15Å; A66-A75 PolarHBondContact O-N 2.83Å; A66-L107 HydrophobicContact CB-CB 3.62Å; A66-F109 HydrophobicContact CB-CD2 4.09Å; A66-F109 HydrophobicContact CB-CE2 4.11Å
67V96.1Very high90.7Very high38 Ų3832.4 Ų32.423%0.2320%0.2CC..EExtended strand (participates in β ladder)trans-115.4143169.7-168.50000108.3F6 C7 L12 F65 L73 V74F6-V67 WeakPolarHBondContact O-CG1 3.45Å; C7-V67 HydrophobicContact CB-CG1 3.87Å; L12-V67 HydrophobicContact CD1-CG2 3.83Å; F65-V67 HydrophobicContact CE1-CG2 3.55Å; F65-V67 HydrophobicContact CE2-CG2 4.34Å; F65-V67 HydrophobicContact CZ-CG2 3.32Å; V67-L73 WeakPolarHBondContact CA-O 3.44Å; V67-V74 HydrophobicContact CG1-CG2 4.25Å; V67-V74 HydrophobicContact CG2-CG2 4.29Å
68S95.4Very high92.3Very high7 Ų726 Ų265%0.04916%0.161CC..  trans-74.3161.1176.777.80000112.6S70 G71 K72 L73 E113S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact O-N 3.02Å; S68-S70 PolarHBondContact OG-OG 3.37Å; S68-G71 PolarHBondContact O-N 3.02Å; S68-K72 PolarHBondContact OG-N 3.36Å; S68-L73 PolarHBondContact N-O 3.45Å; S68-L73 PolarHBondContact OG-N 3.2Å; S68-L73 VanDerWaalsContact OG-N 3.15Å; S68-E113 WeakPolarHBondContact CB-OE1 3.43Å; S68-E113 PolarHBondContact OG-OE1 2.85Å
69S91.8Very high93.5Very high74 Ų7426.2 Ų26.252%0.51716%0.157SC..THydrogen-bonded Turntrans-63.3-30.8-175.558.20000113.4G71 Q111 E113S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 2.78Å; S69-Q111 PolarHBondContact OG-O 3.29Å; S69-E113 PolarHBondContact N-OE1 3.09Å; S69-E113 PolarHBondContact OG-OE1 2.73Å
70S91.4Very high93.9Very high55 Ų5524.8 Ų24.839%0.38515%0.145SC..THydrogen-bonded Turntrans-75.9-13.2173.675.20000113.6S68 K72 E113S68-S70 VanDerWaalsContact C-N 3.27Å; S68-S70 PolarHBondContact O-N 3.02Å; S68-S70 PolarHBondContact OG-OG 3.37Å; S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 WeakPolarHBondContact OG-CB 3.5Å; S70-K72 WeakPolarHBondContact OG-CG 3.3Å; S70-K72 PolarHBondContact OG-N 3.29Å; S70-E113 WeakPolarHBondContact CA-OE1 3.48Å; S70-E113 WeakPolarHBondContact CB-OE1 3.36Å; S70-E113 WeakPolarHBondContact CB-OE2 3.39Å; S70-E113 PolarHBondContact N-OE1 3.33Å; S70-E113 PolarHBondContact OG-OE1 3.17Å; S70-E113 PolarHBondContact OG-OE2 2.81Å
71G90.9Very high94.2Very high10 Ų1026 Ų2610%0.10315%0.15CC..SBendtrans65.437.2-17400000112.4C7 S68 S69C7-G71 CarbonylContact C-O 3.59Å; C7-G71 PolarHBondContact SG-O 3.45Å; S68-G71 PolarHBondContact O-N 3.02Å; S69-G71 VanDerWaalsContact C-N 3.26Å; S69-G71 PolarHBondContact O-N 2.78Å
72K92.2Very high94.4Very high100 Ų10024.9 Ų24.944%0.43514%0.142SC..  trans-118.7-21.6178.3-65.7179.7179.9176.60114.1S68 S70 Q87 C88S68-K72 PolarHBondContact OG-N 3.36Å; S70-K72 VanDerWaalsContact C-N 3.34Å; S70-K72 WeakPolarHBondContact OG-CB 3.5Å; S70-K72 WeakPolarHBondContact OG-CG 3.3Å; S70-K72 PolarHBondContact OG-N 3.29Å; K72-Q87 WeakPolarHBondContact O-CA 3.39Å; K72-C88 PolarHBondContact O-N 3.14Å
73L95.9Very high94.6Very high17 Ų1724.8 Ų24.89%0.08914%0.142CC..EExtended strand (participates in β ladder)trans-118144.1-179.8-57.6167.3000110.2V67 S68 L85 F86 Q87 I95 F109 E113 V130V67-L73 WeakPolarHBondContact CA-O 3.44Å; S68-L73 PolarHBondContact N-O 3.45Å; S68-L73 PolarHBondContact OG-N 3.2Å; S68-L73 VanDerWaalsContact OG-N 3.15Å; L73-L85 HydrophobicContact CB-CD1 4.44Å; L73-F86 VanDerWaalsContact CA-O 3.29Å; L73-F86 WeakPolarHBondContact CA-O 3.22Å; L73-Q87 HydrophobicContact CD2-CB 4.23Å; L73-I95 HydrophobicContact CD2-CD1 3.71Å; L73-F109 HydrophobicContact CB-CE1 4.13Å; L73-F109 HydrophobicContact CB-CZ 3.98Å; L73-F109 HydrophobicContact CD1-CE1 4.31Å; L73-E113 HydrophobicContact CD1-CB 4.33Å; L73-V130 HydrophobicContact CD1-CG1 3.53Å
74V97.5Very high94.8Very high0 Ų022.7 Ų22.70%013%0.131CC..EExtended strand (participates in β ladder)trans-132.4134176.3172.40000108.4C7 L12 L19 F65 A66 V67 F86 C88 W92C7-V74 HydrophobicContact CB-CG2 4.27Å; L12-V74 HydrophobicContact CD1-CG1 4.44Å; L12-V74 HydrophobicContact CD1-CG2 3.52Å; L19-V74 HydrophobicContact CD2-CG1 4.12Å; F65-V74 HydrophobicContact CD2-CG1 4.05Å; F65-V74 HydrophobicContact CE2-CG1 3.51Å; F65-V74 HydrophobicContact CZ-CG1 4.34Å; A66-V74 WeakPolarHBondContact O-CA 3.39Å; V67-V74 HydrophobicContact CG1-CG2 4.25Å; V67-V74 HydrophobicContact CG2-CG2 4.29Å; V74-F86 HydrophobicContact CB-CB 4.35Å; V74-F86 HydrophobicContact CG1-CD2 4.46Å; V74-F86 PolarHBondContact N-O 3.22Å; V74-F86 PolarHBondContact O-N 2.85Å; V74-C88 WeakPolarHBondContact CG2-SG 3.47Å; V74-W92 HydrophobicContact CB-CH2 4.46Å; V74-W92 HydrophobicContact CB-CZ3 4.32Å; V74-W92 HydrophobicContact CG2-CH2 4Å; V74-W92 HydrophobicContact CG2-CZ3 4.33Å
75A97.8Very high94.9Very high0 Ų022.4 Ų22.40%013%0.128CC..EExtended strand (participates in β ladder)trans-121.8140.1173.400000110.6F65 A66 I84 L85 L107 F109 L116F65-A75 CarbonylContact C-O 3.52Å; F65-A75 WeakPolarHBondContact CA-O 3.47Å; A66-A75 PolarHBondContact N-O 3.15Å; A66-A75 PolarHBondContact O-N 2.83Å; A75-I84 VanDerWaalsContact CA-O 3.29Å; A75-I84 WeakPolarHBondContact CA-O 3.17Å; A75-L85 HydrophobicContact CB-CD1 4.42Å; A75-L107 HydrophobicContact CB-CD1 4.24Å; A75-F109 HydrophobicContact CB-CE2 3.89Å; A75-F109 HydrophobicContact CB-CZ 3.65Å; A75-L116 HydrophobicContact CB-CD1 4.17Å; A75-L116 HydrophobicContact CB-CD2 3.49Å; A75-L116 VanDerWaalsContact CB-CD2 3.49Å
76I97.4Very high95Very high0 Ų020.8 Ų20.80%012%0.121CC..EExtended strand (participates in β ladder)trans-130.5154.8171.166.9-179.4000110.7L19 F33 V62 A64 F65 I84 F86L19-I76 HydrophobicContact CB-CD1 4.2Å; L19-I76 HydrophobicContact CD2-CD1 4.42Å; L19-I76 HydrophobicContact CD2-CG2 4.26Å; F33-I76 HydrophobicContact CD1-CD1 4.38Å; V62-I76 HydrophobicContact CG1-CB 4.22Å; V62-I76 HydrophobicContact CG1-CG2 4.45Å; V62-I76 HydrophobicContact CG2-CD1 4.35Å; A64-I76 WeakPolarHBondContact O-CA 3.32Å; F65-I76 HydrophobicContact CB-CG2 4.32Å; F65-I76 HydrophobicContact CD2-CG2 3.71Å; F65-I76 HydrophobicContact CG-CG2 4.48Å; I76-I84 HydrophobicContact CD1-CD1 4.35Å; I76-I84 HydrophobicContact CG1-CB 3.92Å; I76-I84 HydrophobicContact CG1-CD1 4.38Å; I76-I84 HydrophobicContact CG1-CG1 4.37Å; I76-I84 PolarHBondContact N-O 3.44Å; I76-I84 PolarHBondContact O-N 3.33Å; I76-F86 HydrophobicContact CD1-CE2 3.89Å; I76-F86 HydrophobicContact CD1-CZ 4.36Å; I76-F86 HydrophobicContact CG1-CE2 3.97Å
77T96.8Very high95Very high1 Ų123.8 Ų23.81%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-128.6155.2167.154.30000110.8V62 L63 A64 R82 L83 C104 L107V62-T77 CarbonylContact C-O 3.59Å; V62-T77 WeakPolarHBondContact CA-O 3.39Å; L63-T77 PolarHBondContact N-O 3.4Å; A64-T77 PolarHBondContact N-OG1 3.39Å; A64-T77 PolarHBondContact O-N 3.24Å; T77-R82 WeakPolarHBondContact CA-O 3.35Å; T77-R82 WeakPolarHBondContact CB-O 3.26Å; T77-L83 HydrophobicContact CG2-CB 4.13Å; T77-L83 HydrophobicContact CG2-CD1 3.59Å; T77-L83 HydrophobicContact CG2-CG 4.49Å; T77-C104 HydrophobicContact CG2-CB 4.03Å; T77-C104 WeakPolarHBondContact OG1-CB 3.25Å; T77-L107 HydrophobicContact CG2-CD1 4.09Å; T77-L107 HydrophobicContact CG2-CD2 3.9Å; T77-L107 HydrophobicContact CG2-CG 4.45Å
78D94.3Very high94.7Very high0 Ų022 Ų220%012%0.123CC..EExtended strand (participates in β ladder)trans-126.9175.3177.466.930.3000113.5T61 T80 K81 R82T61-D78 CarbonylContact O-C 3.53Å; T61-D78 WeakPolarHBondContact O-CA 3.37Å; T61-D78 VanDerWaalsContact O-CB 3.3Å; T61-D78 WeakPolarHBondContact O-CB 3.44Å; D78-T80 PolarHBondContact O-N 2.91Å; D78-T80 VanDerWaalsContact OD1-C 3.27Å; D78-T80 VanDerWaalsContact OD1-CA 3.29Å; D78-T80 WeakPolarHBondContact OD1-CA 3.11Å; D78-T80 WeakPolarHBondContact OD1-CB 3.18Å; D78-T80 PolarHBondContact OD1-N 2.9Å; D78-T80 PolarHBondContact OD1-OG1 3.37Å; D78-T80 PolarHBondContact OD2-OG1 2.77Å; D78-K81 PolarHBondContact O-N 3.45Å; D78-K81 VanDerWaalsContact O-N 3.08Å; D78-K81 PolarHBondContact OD1-N 2.96Å; D78-K81 VanDerWaalsContact OD1-N 3.08Å; D78-R82 PolarHBondContact N-O 3.28Å; D78-R82 PolarHBondContact OD1-N 2.84Å; D78-R82 IonicContact OD1-NE 2.68Å; D78-R82 IonicContact OD2-CZ 2.71Å; D78-R82 IonicContact OD2-NE 2.73Å; D78-R82 PolarHBondContact OD2-NE 2.59Å; D78-R82 IonicContact OD2-NH2 3.1Å; D78-R82 PolarHBondContact OD2-NH2 3.27Å
79D91.6Very high94.2Very high23 Ų2326 Ų2612%0.12314%0.141CC..THydrogen-bonded Turntrans-73.8-7-179.375.4-19.2000114.7G58 S59 D60 T61 L63 K81 R103G58-D79 WeakPolarHBondContact CA-OD2 3.02Å; S59-D79 VanDerWaalsContact N-CG 3.35Å; S59-D79 PolarHBondContact N-OD1 3.02Å; S59-D79 VanDerWaalsContact N-OD1 3.16Å; S59-D79 PolarHBondContact N-OD2 3.49Å; S59-D79 PolarHBondContact OG-OD2 2.82Å; D60-D79 WeakPolarHBondContact CA-OD1 3.3Å; D60-D79 PolarHBondContact N-OD1 2.75Å; T61-D79 PolarHBondContact N-OD1 2.82Å; T61-D79 PolarHBondContact O-N 3.26Å; L63-D79 HydrophobicContact CD1-CB 3.94Å; L63-D79 HydrophobicContact CD2-CB 4.17Å; L63-D79 HydrophobicContact CG-CB 4.13Å; D79-K81 VanDerWaalsContact C-N 3.32Å; D79-R103 PolarHBondContact O-NE 2.86Å
80T91.8Very high93.9Very high46 Ų4628.3 Ų28.328%0.28215%0.154SC..THydrogen-bonded Turntrans-91.17.1168.272.10000113.2D60 D78 R82D60-T80 WeakPolarHBondContact OD1-CG2 3.28Å; D78-T80 PolarHBondContact O-N 2.91Å; D78-T80 VanDerWaalsContact OD1-C 3.27Å; D78-T80 VanDerWaalsContact OD1-CA 3.29Å; D78-T80 WeakPolarHBondContact OD1-CA 3.11Å; D78-T80 WeakPolarHBondContact OD1-CB 3.18Å; D78-T80 PolarHBondContact OD1-N 2.9Å; D78-T80 PolarHBondContact OD1-OG1 3.37Å; D78-T80 PolarHBondContact OD2-OG1 2.77Å; T80-R82 VanDerWaalsContact C-N 3.34Å; T80-R82 PolarHBondContact OG1-NE 3.26Å; T80-R82 PolarHBondContact OG1-NH2 2.83Å
81K94.1Very high93.8Very high51 Ų5129.2 Ų29.222%0.22216%0.16CC..  trans67.829.1176.7-50.4176.3-174.8-175.70113.3D78 D79 W99 V100 V101 R103D78-K81 PolarHBondContact O-N 3.45Å; D78-K81 VanDerWaalsContact O-N 3.08Å; D78-K81 PolarHBondContact OD1-N 2.96Å; D78-K81 VanDerWaalsContact OD1-N 3.08Å; D79-K81 VanDerWaalsContact C-N 3.32Å; K81-W99 WeakPolarHBondContact O-CA 3.22Å; K81-V100 HydrophobicContact CB-CG2 3.64Å; K81-V100 HydrophobicContact CG-CG2 4.41Å; K81-V100 WeakPolarHBondContact O-CG2 3.21Å; K81-V100 PolarHBondContact O-N 3.44Å; K81-V101 PolarHBondContact NZ-O 3.46Å; K81-R103 HydrophobicContact CG-CG 4.49Å
82R94.9Very high94Very high3 Ų330.2 Ų30.21%0.01116%0.161CC..EExtended strand (participates in β ladder)trans-83.3142.9167-66.9179.7-65.1-147.6-10.8109.8C35 A38 E39 D60 T77 D78 T80 I84 I97 R98C35-R82 PolarHBondContact O-NH1 2.82Å; C35-R82 PolarHBondContact O-NH2 2.82Å; A38-R82 PolarHBondContact O-NH1 3.01Å; E39-R82 VanDerWaalsContact O-CD 3.28Å; E39-R82 WeakPolarHBondContact O-CD 3.5Å; E39-R82 PolarHBondContact O-NH1 2.86Å; D60-R82 IonicContact OD1-CZ 3.8Å; D60-R82 IonicContact OD1-NH1 3.07Å; D60-R82 IonicContact OD1-NH2 3.51Å; D60-R82 PolarHBondContact OD1-NH2 3.02Å; T77-R82 WeakPolarHBondContact CA-O 3.35Å; T77-R82 WeakPolarHBondContact CB-O 3.26Å; D78-R82 PolarHBondContact N-O 3.28Å; D78-R82 PolarHBondContact OD1-N 2.84Å; D78-R82 IonicContact OD1-NE 2.68Å; D78-R82 IonicContact OD2-CZ 2.71Å; D78-R82 IonicContact OD2-NE 2.73Å; D78-R82 PolarHBondContact OD2-NE 2.59Å; D78-R82 IonicContact OD2-NH2 3.1Å; D78-R82 PolarHBondContact OD2-NH2 3.27Å; T80-R82 VanDerWaalsContact C-N 3.34Å; T80-R82 PolarHBondContact OG1-NE 3.26Å; T80-R82 PolarHBondContact OG1-NH2 2.83Å; R82-I84 HydrophobicContact CB-CD1 4.41Å; R82-I84 HydrophobicContact CB-CG1 4.16Å; R82-I97 HydrophobicContact CB-CG2 4.43Å; R82-I97 HydrophobicContact CG-CG2 4.28Å; R82-R98 CarbonylContact C-O 3.59Å; R82-R98 WeakPolarHBondContact CA-O 3.07Å
83L97.2Very high94.1Very high0 Ų030.1 Ų30.10%016%0.164CC..EExtended strand (participates in β ladder)trans-115.6118.2165.1170.265.5000107.2T77 I97 R98 V100 L107 L116 V118 F128T77-L83 HydrophobicContact CG2-CB 4.13Å; T77-L83 HydrophobicContact CG2-CD1 3.59Å; T77-L83 HydrophobicContact CG2-CG 4.49Å; L83-I97 WeakPolarHBondContact O-CA 3.39Å; L83-R98 HydrophobicContact CB-CB 4.47Å; L83-R98 PolarHBondContact N-O 2.91Å; L83-R98 PolarHBondContact O-N 3.46Å; L83-V100 HydrophobicContact CB-CG1 3.85Å; L83-V100 HydrophobicContact CD2-CG1 4.48Å; L83-L107 HydrophobicContact CD1-CD2 4.33Å; L83-L116 HydrophobicContact CD1-CD2 3.75Å; L83-L116 HydrophobicContact CD2-CD2 4.25Å; L83-L116 HydrophobicContact CG-CD2 4.47Å; L83-V118 HydrophobicContact CD1-CG2 4.44Å; L83-V118 HydrophobicContact CD2-CG2 4.13Å; L83-F128 HydrophobicContact CD2-CB 4Å; L83-F128 HydrophobicContact CD2-CD1 3.57Å; L83-F128 HydrophobicContact CD2-CD2 3.66Å; L83-F128 HydrophobicContact CD2-CE1 3.85Å; L83-F128 HydrophobicContact CD2-CE2 3.94Å; L83-F128 HydrophobicContact CD2-CG 3.45Å; L83-F128 VanDerWaalsContact CD2-CG 3.45Å; L83-F128 HydrophobicContact CD2-CZ 4.02Å
84I97.4Very high94.1Very high0 Ų031.7 Ų31.70%018%0.176CC..EExtended strand (participates in β ladder)trans-118.9125.1-174.4-46.7179000108.2F33 A75 I76 R82 F86 S96 I97F33-I84 HydrophobicContact CD1-CD1 4.48Å; F33-I84 HydrophobicContact CE1-CD1 3.44Å; F33-I84 VanDerWaalsContact CE1-CD1 3.44Å; F33-I84 HydrophobicContact CZ-CD1 3.8Å; F33-I84 HydrophobicContact CZ-CG2 4.26Å; A75-I84 VanDerWaalsContact CA-O 3.29Å; A75-I84 WeakPolarHBondContact CA-O 3.17Å; I76-I84 HydrophobicContact CD1-CD1 4.35Å; I76-I84 HydrophobicContact CG1-CB 3.92Å; I76-I84 HydrophobicContact CG1-CD1 4.38Å; I76-I84 HydrophobicContact CG1-CG1 4.37Å; I76-I84 PolarHBondContact N-O 3.44Å; I76-I84 PolarHBondContact O-N 3.33Å; R82-I84 HydrophobicContact CB-CD1 4.41Å; R82-I84 HydrophobicContact CB-CG1 4.16Å; I84-F86 HydrophobicContact CB-CE2 4Å; I84-F86 HydrophobicContact CB-CZ 4.19Å; I84-F86 HydrophobicContact CG2-CD2 4.26Å; I84-F86 HydrophobicContact CG2-CE1 3.93Å; I84-F86 HydrophobicContact CG2-CE2 3.49Å; I84-F86 VanDerWaalsContact CG2-CE2 3.49Å; I84-F86 HydrophobicContact CG2-CZ 3.29Å; I84-S96 WeakPolarHBondContact CA-O 3.48Å; I84-I97 HydrophobicContact CG1-CG1 4.24Å; I84-I97 HydrophobicContact CG1-CG2 4.45Å; I84-I97 HydrophobicContact CG2-CG1 4.03Å
85L97.6Very high94Very high1 Ų133.8 Ų33.81%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-109.6129.3179.6178.464.6000109.5L73 A75 I95 S96 F109 V130L73-L85 HydrophobicContact CB-CD1 4.44Å; A75-L85 HydrophobicContact CB-CD1 4.42Å; L85-I95 HydrophobicContact CB-CB 4.47Å; L85-I95 HydrophobicContact CD2-CB 4.25Å; L85-I95 HydrophobicContact CD2-CD1 4.06Å; L85-I95 HydrophobicContact CD2-CG2 4.24Å; L85-I95 HydrophobicContact CG-CB 4.18Å; L85-I95 HydrophobicContact CG-CD1 3.93Å; L85-I95 PolarHBondContact O-N 3.01Å; L85-S96 PolarHBondContact N-O 3.29Å; L85-S96 PolarHBondContact O-N 2.95Å; L85-F109 HydrophobicContact CD1-CE1 3.91Å; L85-F109 HydrophobicContact CD1-CZ 3.77Å; L85-V130 HydrophobicContact CD2-CG1 4.22Å
86F97.4Very high93.9Very high0 Ų034 Ų340%019%0.188CC..EExtended strand (participates in β ladder)trans-118147.3177.7-57.4-85.5000111.1L19 F31 F33 L73 V74 I76 I84 W92 L93 C94L19-F86 HydrophobicContact CD2-CD2 3.94Å; L19-F86 HydrophobicContact CD2-CE2 3.73Å; L19-F86 HydrophobicContact CD2-CZ 4.3Å; F31-F86 HydrophobicContact CE1-CD1 4.35Å; F31-F86 HydrophobicContact CE1-CE1 4.31Å; F31-F86 HydrophobicContact CZ-CD1 4.06Å; F31-F86 AromaticContact CZ-CE1 3.93Å; F31-F86 HydrophobicContact CZ-CE1 3.93Å; F33-F86 HydrophobicContact CB-CE1 4.32Å; F33-F86 HydrophobicContact CB-CZ 4.11Å; F33-F86 HydrophobicContact CD1-CE1 4.45Å; F33-F86 AromaticContact CD1-CZ 3.73Å; F33-F86 HydrophobicContact CD1-CZ 3.73Å; F33-F86 AromaticContact CD2-CE1 3.6Å; F33-F86 HydrophobicContact CD2-CE1 3.6Å; F33-F86 AromaticContact CD2-CZ 3.72Å; F33-F86 HydrophobicContact CD2-CZ 3.72Å; F33-F86 HydrophobicContact CE1-CZ 4.02Å; F33-F86 AromaticContact CE2-CE1 3.93Å; F33-F86 HydrophobicContact CE2-CE1 3.93Å; F33-F86 AromaticContact CE2-CZ 3.99Å; F33-F86 HydrophobicContact CE2-CZ 3.99Å; F33-F86 AromaticContact CG-CE1 3.87Å; F33-F86 HydrophobicContact CG-CE1 3.87Å; F33-F86 AromaticContact CG-CZ 3.56Å; F33-F86 HydrophobicContact CG-CZ 3.56Å; F33-F86 HydrophobicContact CZ-CE1 4.48Å; F33-F86 HydrophobicContact CZ-CZ 4.12Å; L73-F86 VanDerWaalsContact CA-O 3.29Å; L73-F86 WeakPolarHBondContact CA-O 3.22Å; V74-F86 HydrophobicContact CB-CB 4.35Å; V74-F86 HydrophobicContact CG1-CD2 4.46Å; V74-F86 PolarHBondContact N-O 3.22Å; V74-F86 PolarHBondContact O-N 2.85Å; I76-F86 HydrophobicContact CD1-CE2 3.89Å; I76-F86 HydrophobicContact CD1-CZ 4.36Å; I76-F86 HydrophobicContact CG1-CE2 3.97Å; I84-F86 HydrophobicContact CB-CE2 4Å; I84-F86 HydrophobicContact CB-CZ 4.19Å; I84-F86 HydrophobicContact CG2-CD2 4.26Å; I84-F86 HydrophobicContact CG2-CE1 3.93Å; I84-F86 HydrophobicContact CG2-CE2 3.49Å; I84-F86 VanDerWaalsContact CG2-CE2 3.49Å; I84-F86 HydrophobicContact CG2-CZ 3.29Å; F86-W92 HydrophobicContact CB-CE3 4.11Å; F86-W92 HydrophobicContact CB-CZ3 4.03Å; F86-W92 HydrophobicContact CG-CE3 4.44Å; F86-W92 HydrophobicContact CG-CZ3 4.37Å; F86-L93 CarbonylContact C-O 3.56Å; F86-L93 VanDerWaalsContact CA-O 3.23Å; F86-L93 WeakPolarHBondContact CA-O 3.33Å; F86-C94 HydrophobicContact CD1-CB 4.03Å; F86-C94 HydrophobicContact CE1-CB 3.91Å
87Q95.2Very high93.9Very high73 Ų7335.5 Ų35.534%0.34120%0.196SC..EExtended strand (participates in β ladder)trans-105.7133.7161.4177.9173.20.700108.3K72 L73 E89 S91 W92 L93 I95K72-Q87 WeakPolarHBondContact O-CA 3.39Å; L73-Q87 HydrophobicContact CD2-CB 4.23Å; Q87-E89 VanDerWaalsContact CG-O 3.26Å; Q87-E89 WeakPolarHBondContact CG-O 3.24Å; Q87-E89 PolarHBondContact NE2-O 2.66Å; Q87-S91 VanDerWaalsContact O-O 3.07Å; Q87-W92 CarbonylContact O-C 3.3Å; Q87-W92 VanDerWaalsContact O-CA 3.25Å; Q87-W92 WeakPolarHBondContact O-CA 3.36Å; Q87-L93 PolarHBondContact N-O 3.31Å; Q87-L93 PolarHBondContact O-N 2.97Å; Q87-I95 HydrophobicContact CB-CD1 3.62Å; Q87-I95 HydrophobicContact CB-CG1 3.91Å
88C91.2Very high93.8Very high1 Ų135.7 Ų35.71%0.00720%0.197CC..  trans-101-26.5-173-53.70000112.9C7 K72 V74 S91 W92C7-C88 PolarHBondContact SG-SG 2.9Å; K72-C88 PolarHBondContact O-N 3.14Å; V74-C88 WeakPolarHBondContact CG2-SG 3.47Å; C88-S91 CarbonylContact O-C 3.57Å; C88-S91 VanDerWaalsContact O-C 3.3Å; C88-W92 HydrophobicContact CB-CD2 4.36Å; C88-W92 HydrophobicContact CB-CH2 4.26Å; C88-W92 HydrophobicContact CB-CZ2 3.98Å; C88-W92 WeakPolarHBondContact SG-CH2 3.5Å; C88-W92 VanDerWaalsContact SG-CZ2 3.57Å; C88-W92 WeakPolarHBondContact SG-CZ3 3.32Å
89E84.9Confident93.8Very high92 Ų9239.2 Ų39.243%0.4321%0.21SC..SBendtrans-121.2136.3178.3-68.7-167.3161.300111.5Q87 S91Q87-E89 VanDerWaalsContact CG-O 3.26Å; Q87-E89 WeakPolarHBondContact CG-O 3.24Å; Q87-E89 PolarHBondContact NE2-O 2.66Å; E89-S91 VanDerWaalsContact C-N 3.34Å
90P84.8Confident94Very high121 Ų12138.4 Ų38.479%0.78621%0.206SC*.SBendcis-77.4-12.65.632.1-36.5000114.4
91S89.1Confident94.1Very high74 Ų7439.8 Ų39.852%0.51721%0.214SC..SBendtrans-149.2158.3176.657.90000110Q87 C88 E89 L93Q87-S91 VanDerWaalsContact O-O 3.07Å; C88-S91 CarbonylContact O-C 3.57Å; C88-S91 VanDerWaalsContact O-C 3.3Å; E89-S91 VanDerWaalsContact C-N 3.34Å; S91-L93 PolarHBondContact O-N 3.1Å
92W94.6Very high94.1Very high32 Ų3240.8 Ų40.812%0.12122%0.217CC..  trans-62.5116.5173.1-74.789.8000111.6W10 L12 L19 A21 F31 V74 F86 Q87 C88W10-W92 HydrophobicContact CB-CZ2 4.48Å; W10-W92 HydrophobicContact CD2-CZ2 4.44Å; W10-W92 AromaticContact CD2-NE1 3.53Å; W10-W92 AromaticContact CE2-NE1 3.61Å; W10-W92 AromaticContact CE3-NE1 3.51Å; W10-W92 HydrophobicContact CG-CZ2 4.4Å; W10-W92 AromaticContact CH2-CD1 3.93Å; W10-W92 AromaticContact CH2-NE1 3.71Å; W10-W92 AromaticContact CZ2-NE1 3.71Å; W10-W92 AromaticContact CZ3-NE1 3.6Å; L12-W92 HydrophobicContact CD1-CH2 4.32Å; L12-W92 HydrophobicContact CD2-CH2 3.48Å; L12-W92 VanDerWaalsContact CD2-CH2 3.48Å; L12-W92 HydrophobicContact CD2-CZ2 3.52Å; L19-W92 HydrophobicContact CD2-CZ3 4.26Å; A21-W92 HydrophobicContact CB-CD2 4.45Å; A21-W92 HydrophobicContact CB-CH2 3.76Å; A21-W92 HydrophobicContact CB-CZ2 3.16Å; F31-W92 HydrophobicContact CB-CB 4.15Å; F31-W92 HydrophobicContact CB-CD2 4.02Å; F31-W92 HydrophobicContact CB-CG 3.63Å; F31-W92 HydrophobicContact CD1-CB 4.1Å; F31-W92 AromaticContact CD1-CD2 3.39Å; F31-W92 HydrophobicContact CD1-CD2 3.39Å; F31-W92 AromaticContact CD1-CE3 3.38Å; F31-W92 HydrophobicContact CD1-CE3 3.38Å; F31-W92 AromaticContact CD1-CG 3.71Å; F31-W92 HydrophobicContact CD1-CG 3.71Å; F31-W92 AromaticContact CD1-CZ3 3.97Å; F31-W92 HydrophobicContact CD1-CZ3 3.97Å; F31-W92 HydrophobicContact CD2-CB 3.35Å; F31-W92 HydrophobicContact CD2-CD2 4.3Å; F31-W92 AromaticContact CD2-CG 3.74Å; F31-W92 HydrophobicContact CD2-CG 3.74Å; F31-W92 HydrophobicContact CE1-CB 4.32Å; F31-W92 AromaticContact CE1-CD2 3.84Å; F31-W92 HydrophobicContact CE1-CD2 3.84Å; F31-W92 AromaticContact CE1-CE3 3.34Å; F31-W92 HydrophobicContact CE1-CE3 3.34Å; F31-W92 HydrophobicContact CE1-CG 4.26Å; F31-W92 AromaticContact CE1-CZ3 3.92Å; F31-W92 HydrophobicContact CE1-CZ3 3.92Å; F31-W92 HydrophobicContact CE2-CB 3.62Å; F31-W92 HydrophobicContact CE2-CG 4.28Å; F31-W92 HydrophobicContact CG-CB 3.6Å; F31-W92 AromaticContact CG-CD1 3.88Å; F31-W92 AromaticContact CG-CD2 3.64Å; F31-W92 HydrophobicContact CG-CD2 3.64Å; F31-W92 HydrophobicContact CG-CE3 4.07Å; F31-W92 AromaticContact CG-CG 3.4Å; F31-W92 HydrophobicContact CG-CG 3.4Å; F31-W92 VanDerWaalsContact CG-CG 3.4Å; F31-W92 HydrophobicContact CZ-CB 4.09Å; F31-W92 HydrophobicContact CZ-CD2 4.44Å; F31-W92 HydrophobicContact CZ-CE3 4.02Å; V74-W92 HydrophobicContact CB-CH2 4.46Å; V74-W92 HydrophobicContact CB-CZ3 4.32Å; V74-W92 HydrophobicContact CG2-CH2 4Å; V74-W92 HydrophobicContact CG2-CZ3 4.33Å; F86-W92 HydrophobicContact CB-CE3 4.11Å; F86-W92 HydrophobicContact CB-CZ3 4.03Å; F86-W92 HydrophobicContact CG-CE3 4.44Å; F86-W92 HydrophobicContact CG-CZ3 4.37Å; Q87-W92 CarbonylContact O-C 3.3Å; Q87-W92 VanDerWaalsContact O-CA 3.25Å; Q87-W92 WeakPolarHBondContact O-CA 3.36Å; C88-W92 HydrophobicContact CB-CD2 4.36Å; C88-W92 HydrophobicContact CB-CH2 4.26Å; C88-W92 HydrophobicContact CB-CZ2 3.98Å; C88-W92 WeakPolarHBondContact SG-CH2 3.5Å; C88-W92 VanDerWaalsContact SG-CZ2 3.57Å; C88-W92 WeakPolarHBondContact SG-CZ3 3.32Å
93L95.3Very high94.1Very high98 Ų9843.1 Ų43.151%0.51323%0.225SC..EExtended strand (participates in β ladder)trans-132.4127.8177.1176.964.3000109F86 Q87 S91 I95F86-L93 CarbonylContact C-O 3.56Å; F86-L93 VanDerWaalsContact CA-O 3.23Å; F86-L93 WeakPolarHBondContact CA-O 3.33Å; Q87-L93 PolarHBondContact N-O 3.31Å; Q87-L93 PolarHBondContact O-N 2.97Å; S91-L93 PolarHBondContact O-N 3.1Å; L93-I95 PolarHBondContact O-N 3.16Å
94C96.1Very high94Very high49 Ų4943.3 Ų43.333%0.33123%0.227SC..EExtended strand (participates in β ladder)trans-73.9109.1166.4-175.80000108.4F86F86-C94 HydrophobicContact CD1-CB 4.03Å; F86-C94 HydrophobicContact CE1-CB 3.91Å
95I95.4Very high93.9Very high44 Ų4445.3 Ų45.323%0.22624%0.239CC..EExtended strand (participates in β ladder)trans-75.2-46-179.3-60.6169.4000110.3L73 L85 Q87 L93 P133L73-I95 HydrophobicContact CD2-CD1 3.71Å; L85-I95 HydrophobicContact CB-CB 4.47Å; L85-I95 HydrophobicContact CD2-CB 4.25Å; L85-I95 HydrophobicContact CD2-CD1 4.06Å; L85-I95 HydrophobicContact CD2-CG2 4.24Å; L85-I95 HydrophobicContact CG-CB 4.18Å; L85-I95 HydrophobicContact CG-CD1 3.93Å; L85-I95 PolarHBondContact O-N 3.01Å; Q87-I95 HydrophobicContact CB-CD1 3.62Å; Q87-I95 HydrophobicContact CB-CG1 3.91Å; L93-I95 PolarHBondContact O-N 3.16Å; I95-P133 HydrophobicContact CG2-CB 3.6Å; I95-P133 HydrophobicContact CG2-CG 3.94Å
96S95.6Very high93.9Very high5 Ų546.3 Ų46.34%0.03525%0.246CC..EExtended strand (participates in β ladder)trans-155.1153.2179.949.70000112.6I84 L85 P133I84-S96 WeakPolarHBondContact CA-O 3.48Å; L85-S96 PolarHBondContact N-O 3.29Å; L85-S96 PolarHBondContact O-N 2.95Å; S96-P133 VanDerWaalsContact CB-O 3.3Å; S96-P133 WeakPolarHBondContact CB-O 3.42Å; S96-P133 PolarHBondContact OG-O 2.89Å
97I95.9Very high93.9Very high31 Ų3146.9 Ų46.916%0.15925%0.249CC..EExtended strand (participates in β ladder)trans-119.3117.3163.6-61.4174.3000106.2A38 E39 R82 L83 I84 W99A38-I97 HydrophobicContact CB-CD1 4.36Å; E39-I97 HydrophobicContact CB-CD1 4.11Å; R82-I97 HydrophobicContact CB-CG2 4.43Å; R82-I97 HydrophobicContact CG-CG2 4.28Å; L83-I97 WeakPolarHBondContact O-CA 3.39Å; I84-I97 HydrophobicContact CG1-CG1 4.24Å; I84-I97 HydrophobicContact CG1-CG2 4.45Å; I84-I97 HydrophobicContact CG2-CG1 4.03Å; I97-W99 HydrophobicContact CG2-CH2 4.24Å; I97-W99 HydrophobicContact CG2-CZ2 4.14Å; I97-W99 WeakPolarHBondContact O-CH2 3.34Å; I97-W99 WeakPolarHBondContact O-CZ3 3.22Å
98R95.3Very high94.1Very high6 Ų643.9 Ų43.92%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-121.8174.1178.4-72.1-177.8-74.9-164.6-6.8110.4R82 L83 F128 S129 P133 K135R82-R98 CarbonylContact C-O 3.59Å; R82-R98 WeakPolarHBondContact CA-O 3.07Å; L83-R98 HydrophobicContact CB-CB 4.47Å; L83-R98 PolarHBondContact N-O 2.91Å; L83-R98 PolarHBondContact O-N 3.46Å; R98-F128 HydrophobicContact CB-CE1 4.37Å; R98-S129 PolarHBondContact NH1-O 3.21Å; R98-S129 PolarHBondContact NH2-O 2.93Å; R98-P133 WeakPolarHBondContact CD-O 3.4Å; R98-P133 PolarHBondContact NE-O 2.96Å; R98-K135 WeakPolarHBondContact CD-O 3.42Å; R98-K135 PolarHBondContact NH1-O 2.87Å
99W94.7Very high94.4Very high73 Ų7344.5 Ų44.528%0.27724%0.239SC..EExtended strand (participates in β ladder)trans-120.8130.7-177.7-65.4-91.1000111.5R41 K81 I97R41-W99 VanDerWaalsContact CB-NE1 3.29Å; R41-W99 HydrophobicContact CG-CD2 4.37Å; R41-W99 HydrophobicContact CG-CG 4.19Å; K81-W99 WeakPolarHBondContact O-CA 3.22Å; I97-W99 HydrophobicContact CG2-CH2 4.24Å; I97-W99 HydrophobicContact CG2-CZ2 4.14Å; I97-W99 WeakPolarHBondContact O-CH2 3.34Å; I97-W99 WeakPolarHBondContact O-CZ3 3.22Å
100V95.6Very high95Very high6 Ų640.1 Ų40.14%0.03622%0.219CC..  trans-92.7157.8175.2-62.20000110.1K81 L83 R102 C104 V118 F128K81-V100 HydrophobicContact CB-CG2 3.64Å; K81-V100 HydrophobicContact CG-CG2 4.41Å; K81-V100 WeakPolarHBondContact O-CG2 3.21Å; K81-V100 PolarHBondContact O-N 3.44Å; L83-V100 HydrophobicContact CB-CG1 3.85Å; L83-V100 HydrophobicContact CD2-CG1 4.48Å; V100-R102 WeakPolarHBondContact CG2-O 3.45Å; V100-C104 VanDerWaalsContact CG2-SG 3.55Å; V100-V118 HydrophobicContact CG1-CG1 4Å; V100-F128 HydrophobicContact CG1-CE2 4.11Å; V100-F128 HydrophobicContact CG1-CZ 3.87Å
101V93.8Very high95.5Very high76 Ų7638.3 Ų38.346%0.46120%0.2SC..SBendtrans-71.3-48.1-176.5-177.60000110.9K81 Y126K81-V101 PolarHBondContact NZ-O 3.46Å; V101-Y126 HydrophobicContact CB-CE2 4.3Å; V101-Y126 HydrophobicContact CG2-CE1 3.77Å; V101-Y126 HydrophobicContact CG2-CE2 4.19Å
102R94.9Very high95.8Very high71 Ų7137.7 Ų37.727%0.26820%0.199SC..SBendtrans-126.7165.5176.6-59.1-59.3-171170.6-2.5110.8D52 V100 C104 D120 K121 S122D52-R102 VanDerWaalsContact CG-NH1 3.27Å; D52-R102 IonicContact OD1-CZ 3.02Å; D52-R102 IonicContact OD1-NH1 3.87Å; D52-R102 PolarHBondContact OD1-NH1 3.19Å; D52-R102 IonicContact OD1-NH2 3.72Å; D52-R102 PolarHBondContact OD1-NH2 3.21Å; D52-R102 IonicContact OD2-CZ 3.11Å; D52-R102 IonicContact OD2-NH1 2.82Å; D52-R102 PolarHBondContact OD2-NH1 2.9Å; D52-R102 IonicContact OD2-NH2 2.75Å; D52-R102 PolarHBondContact OD2-NH2 3.39Å; V100-R102 WeakPolarHBondContact CG2-O 3.45Å; R102-C104 PolarHBondContact O-N 3.34Å; R102-D120 HydrophobicContact CB-CB 4.02Å; R102-K121 HydrophobicContact CB-CG 4.17Å; R102-S122 VanDerWaalsContact CG-OG 3.25Å; R102-S122 WeakPolarHBondContact CG-OG 3.13Å
103R94.1Very high95.9Very high52 Ų5238 Ų3820%0.19620%0.202CC..  trans-57.1130174.5-71.5-174.3-176.1129.73.1109.8E56 L63 D79 K81 K121E56-R103 VanDerWaalsContact CD-CZ 3.42Å; E56-R103 IonicContact OE1-CZ 3.94Å; E56-R103 IonicContact OE1-NH1 2.79Å; E56-R103 PolarHBondContact OE1-NH1 3.11Å; E56-R103 IonicContact OE1-NH2 2.73Å; E56-R103 PolarHBondContact OE1-NH2 3.05Å; E56-R103 IonicContact OE2-CZ 3.92Å; E56-R103 IonicContact OE2-NE 3.91Å; E56-R103 IonicContact OE2-NH1 2.96Å; E56-R103 PolarHBondContact OE2-NH1 2.57Å; E56-R103 IonicContact OE2-NH2 3.94Å; E56-R103 PolarHBondContact OE2-NH2 3.37Å; E56-R103 VanDerWaalsContact OE2-NH2 3.09Å; L63-R103 HydrophobicContact CD1-CB 3.8Å; L63-R103 HydrophobicContact CD1-CG 4Å; D79-R103 PolarHBondContact O-NE 2.86Å; K81-R103 HydrophobicContact CG-CG 4.49Å; R103-K121 HydrophobicContact CB-CD 4.26Å; R103-K121 PolarHBondContact O-N 3.04Å
104C95.3Very high95.9Very high5 Ų535.7 Ų35.73%0.03419%0.19CC..EExtended strand (participates in β ladder)trans-80.9149.4-177.5-52.40000111T77 V100 R102 V118 A119T77-C104 HydrophobicContact CG2-CB 4.03Å; T77-C104 WeakPolarHBondContact OG1-CB 3.25Å; V100-C104 VanDerWaalsContact CG2-SG 3.55Å; R102-C104 PolarHBondContact O-N 3.34Å; C104-V118 HydrophobicContact CB-CG1 4.03Å; C104-V118 WeakPolarHBondContact SG-CG1 3.29Å; C104-A119 CarbonylContact C-O 3.57Å; C104-A119 VanDerWaalsContact CA-O 3.31Å; C104-A119 WeakPolarHBondContact CA-O 3.48Å
105T95.7Very high96Very high42 Ų4234.6 Ų34.626%0.25818%0.18SC..EExtended strand (participates in β ladder)trans-112.5-28.1175.852.60000111.6A119 K121 L147T105-A119 PolarHBondContact N-O 3.14Å; T105-A119 PolarHBondContact OG1-O 3.32Å; T105-K121 HydrophobicContact CG2-CB 4.42Å; T105-L147 VanDerWaalsContact CB-O 3.26Å; T105-L147 WeakPolarHBondContact CB-O 3.39Å; T105-L147 WeakPolarHBondContact CG2-O 3.4Å; T105-L147 PolarHBondContact OG1-O 3.33Å
106S97.4Very high96.1Very high21 Ų2132.5 Ų32.515%0.14717%0.17CC..EExtended strand (participates in β ladder)trans-156152-177.4-175.50000111.9A119 V150S106-A119 PolarHBondContact N-O 2.7Å; S106-A119 PolarHBondContact O-N 2.92Å; S106-V150 PolarHBondContact OG-N 2.68Å
107L98.2Very high96.2Very high13 Ų1332.2 Ų32.27%0.06817%0.168CC..EExtended strand (participates in β ladder)trans-131.4142.2-178.9-64.7176.8000109.4A64 A66 A75 T77 L83 L116 L117 V118A64-L107 HydrophobicContact CB-CD1 4.11Å; A64-L107 HydrophobicContact CB-CG 3.88Å; A66-L107 HydrophobicContact CB-CB 3.62Å; A75-L107 HydrophobicContact CB-CD1 4.24Å; T77-L107 HydrophobicContact CG2-CD1 4.09Å; T77-L107 HydrophobicContact CG2-CD2 3.9Å; T77-L107 HydrophobicContact CG2-CG 4.45Å; L83-L107 HydrophobicContact CD1-CD2 4.33Å; L107-L116 HydrophobicContact CB-CD1 4.45Å; L107-L117 WeakPolarHBondContact CA-O 3.4Å; L107-V118 HydrophobicContact CD2-CB 4.12Å; L107-V118 HydrophobicContact CD2-CG1 3.97Å; L107-V118 HydrophobicContact CD2-CG2 3.65Å
108A98.1Very high96.4Very high10 Ų1030.8 Ų30.88%0.08316%0.161CC..EExtended strand (participates in β ladder)trans-148.1125.817400000111.6L117 V150 I152A108-L117 PolarHBondContact N-O 3.26Å; A108-L117 PolarHBondContact O-N 3.04Å; A108-V150 HydrophobicContact CB-CG1 4.22Å; A108-I152 HydrophobicContact CB-CD1 4.43Å; A108-I152 HydrophobicContact CB-CG1 4.31Å
109F98.1Very high96.5Very high13 Ų1330.5 Ų30.56%0.05716%0.16CC..EExtended strand (participates in β ladder)trans-77.3142.9169.4-74-84000110.4A66 L73 A75 L85 L116 V130A66-F109 HydrophobicContact CB-CD2 4.09Å; A66-F109 HydrophobicContact CB-CE2 4.11Å; L73-F109 HydrophobicContact CB-CE1 4.13Å; L73-F109 HydrophobicContact CB-CZ 3.98Å; L73-F109 HydrophobicContact CD1-CE1 4.31Å; A75-F109 HydrophobicContact CB-CE2 3.89Å; A75-F109 HydrophobicContact CB-CZ 3.65Å; L85-F109 HydrophobicContact CD1-CE1 3.91Å; L85-F109 HydrophobicContact CD1-CZ 3.77Å; F109-L116 HydrophobicContact CD1-CB 4.25Å; F109-L116 HydrophobicContact CD1-CD1 3.95Å; F109-L116 HydrophobicContact CD2-CD1 4Å; F109-L116 HydrophobicContact CE1-CB 4.24Å; F109-L116 HydrophobicContact CE1-CD1 3.98Å; F109-L116 HydrophobicContact CE1-CG 4.48Å; F109-L116 HydrophobicContact CE2-CD1 4.03Å; F109-L116 HydrophobicContact CG-CD1 3.97Å; F109-L116 HydrophobicContact CZ-CD1 4.03Å; F109-V130 HydrophobicContact CD1-CG2 4.11Å; F109-V130 HydrophobicContact CE1-CG2 3.98Å
110S97.2Very high96.6Very high1 Ų127.1 Ų27.11%0.00715%0.147CC..  trans-59.1151.7160.852.40000110.8A112 E113 D114 E115S110-A112 PolarHBondContact O-N 2.92Å; S110-E113 WeakPolarHBondContact O-CA 3.49Å; S110-E113 PolarHBondContact O-N 3.01Å; S110-E113 PolarHBondContact OG-N 2.78Å; S110-D114 PolarHBondContact OG-N 2.65Å; S110-D114 VanDerWaalsContact OG-N 3.15Å; S110-D114 PolarHBondContact OG-OD1 2.93Å; S110-D114 VanDerWaalsContact OG-OD1 3.08Å; S110-E115 WeakPolarHBondContact CB-O 3.17Å; S110-E115 PolarHBondContact N-O 3.2Å; S110-E115 PolarHBondContact OG-N 3.14Å; S110-E115 PolarHBondContact OG-O 2.56Å
111Q95.2Very high96.6Very high82 Ų8230 Ų3038%0.38316%0.159SC..THydrogen-bonded Turntrans-67.5-30.4176.2-58.5-58.1-36.600111.7S69 E113 D156S69-Q111 PolarHBondContact OG-O 3.29Å; Q111-E113 PolarHBondContact O-N 3.03Å; Q111-D156 PolarHBondContact N-OD1 2.88Å; Q111-D156 PolarHBondContact N-OD2 2.88Å; Q111-D156 VanDerWaalsContact N-OD2 3.14Å
112A95.6Very high96.6Very high61 Ų6128.8 Ų28.850%0.50415%0.153SC..THydrogen-bonded Turntrans-70.6-11.217000000114S110 D114 D156S110-A112 PolarHBondContact O-N 2.92Å; A112-D114 PolarHBondContact O-N 3.46Å; A112-D156 WeakPolarHBondContact CB-OD2 3.22Å; A112-D156 PolarHBondContact N-OD2 3.03Å
113E96Very high96.7Very high40 Ų4025.4 Ų25.419%0.18714%0.141CC..SBendtrans57.127.4-177.7-51.8-168.8147.400114.4S68 S69 S70 L73 S110 Q111 V130S68-E113 WeakPolarHBondContact CB-OE1 3.43Å; S68-E113 PolarHBondContact OG-OE1 2.85Å; S69-E113 PolarHBondContact N-OE1 3.09Å; S69-E113 PolarHBondContact OG-OE1 2.73Å; S70-E113 WeakPolarHBondContact CA-OE1 3.48Å; S70-E113 WeakPolarHBondContact CB-OE1 3.36Å; S70-E113 WeakPolarHBondContact CB-OE2 3.39Å; S70-E113 PolarHBondContact N-OE1 3.33Å; S70-E113 PolarHBondContact OG-OE1 3.17Å; S70-E113 PolarHBondContact OG-OE2 2.81Å; L73-E113 HydrophobicContact CD1-CB 4.33Å; S110-E113 WeakPolarHBondContact O-CA 3.49Å; S110-E113 PolarHBondContact O-N 3.01Å; S110-E113 PolarHBondContact OG-N 2.78Å; Q111-E113 PolarHBondContact O-N 3.03Å; E113-V130 WeakPolarHBondContact O-CB 3.25Å; E113-V130 WeakPolarHBondContact O-CG1 3.23Å
114D96.4Very high96.9Very high49 Ų4924.8 Ų24.826%0.26214%0.141SC..SBendtrans-99.6-27.6178.366.2-15.2000113S110 A112 V130 V131 R174S110-D114 PolarHBondContact OG-N 2.65Å; S110-D114 VanDerWaalsContact OG-N 3.15Å; S110-D114 PolarHBondContact OG-OD1 2.93Å; S110-D114 VanDerWaalsContact OG-OD1 3.08Å; A112-D114 PolarHBondContact O-N 3.46Å; D114-V130 PolarHBondContact O-N 3.21Å; D114-V131 HydrophobicContact CB-CG2 4.16Å; D114-R174 IonicContact OD2-NH2 3.78Å
115E96.8Very high97.1Very high25 Ų2524.5 Ų24.512%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-122142.2177.7-65.8-169.2-160.500112S110 S127 K140 R174S110-E115 WeakPolarHBondContact CB-O 3.17Å; S110-E115 PolarHBondContact N-O 3.2Å; S110-E115 PolarHBondContact OG-N 3.14Å; S110-E115 PolarHBondContact OG-O 2.56Å; E115-S127 PolarHBondContact OE2-OG 3.39Å; E115-K140 IonicContact OE1-NZ 3.26Å; E115-K140 PolarHBondContact OE1-NZ 3.4Å; E115-K140 WeakPolarHBondContact OE2-CE 3.37Å; E115-K140 IonicContact OE2-NZ 2.86Å; E115-K140 PolarHBondContact OE2-NZ 2.83Å; E115-K140 VanDerWaalsContact OE2-NZ 3.13Å; E115-R174 IonicContact OE1-NH1 3.01Å; E115-R174 PolarHBondContact OE1-NH1 3.08Å
116L98.3Very high97.2Very high0 Ų024 Ų240%013%0.133CC..EExtended strand (participates in β ladder)trans-114.9117167.7174.466.8000109.2A75 L83 L107 F109 V118 S127 F128 V130A75-L116 HydrophobicContact CB-CD1 4.17Å; A75-L116 HydrophobicContact CB-CD2 3.49Å; A75-L116 VanDerWaalsContact CB-CD2 3.49Å; L83-L116 HydrophobicContact CD1-CD2 3.75Å; L83-L116 HydrophobicContact CD2-CD2 4.25Å; L83-L116 HydrophobicContact CG-CD2 4.47Å; L107-L116 HydrophobicContact CB-CD1 4.45Å; F109-L116 HydrophobicContact CD1-CB 4.25Å; F109-L116 HydrophobicContact CD1-CD1 3.95Å; F109-L116 HydrophobicContact CD2-CD1 4Å; F109-L116 HydrophobicContact CE1-CB 4.24Å; F109-L116 HydrophobicContact CE1-CD1 3.98Å; F109-L116 HydrophobicContact CE1-CG 4.48Å; F109-L116 HydrophobicContact CE2-CD1 4.03Å; F109-L116 HydrophobicContact CG-CD1 3.97Å; F109-L116 HydrophobicContact CZ-CD1 4.03Å; L116-V118 HydrophobicContact CG-CG2 4.34Å; L116-S127 WeakPolarHBondContact O-CA 3.45Å; L116-F128 HydrophobicContact CB-CB 4.49Å; L116-F128 PolarHBondContact N-O 2.79Å; L116-F128 PolarHBondContact O-N 2.89Å; L116-V130 HydrophobicContact CB-CG2 4.27Å
117L98.6Very high97.3Very high0 Ų023.4 Ų23.40%013%0.129CC..EExtended strand (participates in β ladder)trans-84.5138.7173.7-60.7-173.9000111.1L107 A108 V125 Y126 V150 I152 I159 L173L107-L117 WeakPolarHBondContact CA-O 3.4Å; A108-L117 PolarHBondContact N-O 3.26Å; A108-L117 PolarHBondContact O-N 3.04Å; L117-V125 HydrophobicContact CB-CG1 4.15Å; L117-V125 HydrophobicContact CD1-CG1 4.44Å; L117-V125 HydrophobicContact CD2-CG1 4.27Å; L117-Y126 CarbonylContact C-O 3.59Å; L117-Y126 WeakPolarHBondContact CA-O 3.26Å; L117-V150 HydrophobicContact CB-CG2 4.48Å; L117-V150 HydrophobicContact CD1-CG2 4.28Å; L117-I152 HydrophobicContact CB-CD1 4.49Å; L117-I152 HydrophobicContact CD1-CD1 3.45Å; L117-I152 VanDerWaalsContact CD1-CD1 3.45Å; L117-I152 HydrophobicContact CD1-CG1 3.54Å; L117-I152 HydrophobicContact CG-CD1 3.71Å; L117-I152 HydrophobicContact CG-CG1 4.32Å; L117-I159 HydrophobicContact CD1-CB 4.41Å; L117-I159 HydrophobicContact CD1-CD1 4.06Å; L117-I159 HydrophobicContact CD1-CG1 3.79Å; L117-I159 HydrophobicContact CD1-CG2 3.83Å; L117-L173 HydrophobicContact CD1-CD1 4.14Å
118V98.6Very high97.3Very high1 Ų123 Ų231%0.00613%0.126CC..EExtended strand (participates in β ladder)trans-129.5111-177.3-178.70000108.4L83 V100 C104 L107 L116 V125 Y126 F128L83-V118 HydrophobicContact CD1-CG2 4.44Å; L83-V118 HydrophobicContact CD2-CG2 4.13Å; V100-V118 HydrophobicContact CG1-CG1 4Å; C104-V118 HydrophobicContact CB-CG1 4.03Å; C104-V118 WeakPolarHBondContact SG-CG1 3.29Å; L107-V118 HydrophobicContact CD2-CB 4.12Å; L107-V118 HydrophobicContact CD2-CG1 3.97Å; L107-V118 HydrophobicContact CD2-CG2 3.65Å; L116-V118 HydrophobicContact CG-CG2 4.34Å; V118-V125 WeakPolarHBondContact O-CA 3.48Å; V118-Y126 PolarHBondContact N-O 2.9Å; V118-Y126 PolarHBondContact O-N 2.82Å; V118-F128 HydrophobicContact CB-CD2 4.16Å; V118-F128 HydrophobicContact CB-CE2 4.02Å; V118-F128 HydrophobicContact CG2-CD2 3.45Å; V118-F128 VanDerWaalsContact CG2-CD2 3.45Å; V118-F128 HydrophobicContact CG2-CE2 3.68Å
119A98.3Very high97.3Very high0 Ų023.5 Ų23.50%013%0.129CC..EExtended strand (participates in β ladder)trans-94.6139.7174.500000110.7C104 T105 S106 D124 V125 L147 V150C104-A119 CarbonylContact C-O 3.57Å; C104-A119 VanDerWaalsContact CA-O 3.31Å; C104-A119 WeakPolarHBondContact CA-O 3.48Å; T105-A119 PolarHBondContact N-O 3.14Å; T105-A119 PolarHBondContact OG1-O 3.32Å; S106-A119 PolarHBondContact N-O 2.7Å; S106-A119 PolarHBondContact O-N 2.92Å; A119-D124 WeakPolarHBondContact CA-O 3.41Å; A119-V125 HydrophobicContact CB-CG2 4.42Å; A119-L147 HydrophobicContact CB-CB 4.03Å; A119-L147 HydrophobicContact CB-CD1 3.91Å; A119-V150 HydrophobicContact CB-CB 3.95Å; A119-V150 HydrophobicContact CB-CG1 3.72Å
120D96.6Very high97.2Very high2 Ų223.7 Ų23.71%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-123.9169.4-173.780.519.7000115.5R102 S122 G123 D124R102-D120 HydrophobicContact CB-CB 4.02Å; D120-S122 PolarHBondContact O-N 3.13Å; D120-S122 WeakPolarHBondContact OD1-CA 3.48Å; D120-S122 WeakPolarHBondContact OD1-CB 3.22Å; D120-S122 PolarHBondContact OD1-N 3.49Å; D120-S122 PolarHBondContact OD1-OG 2.99Å; D120-S122 PolarHBondContact OD2-OG 2.87Å; D120-S122 VanDerWaalsContact OD2-OG 3.14Å; D120-G123 PolarHBondContact O-N 3.27Å; D120-G123 VanDerWaalsContact O-N 3.16Å; D120-G123 PolarHBondContact OD1-N 2.7Å; D120-G123 VanDerWaalsContact OD1-N 3.1Å; D120-D124 PolarHBondContact N-O 2.86Å; D120-D124 PolarHBondContact OD1-N 2.82Å
121K94.7Very high97.2Very high67 Ų6728.9 Ų28.929%0.29116%0.163SC..THydrogen-bonded Turntrans-65.9-18.5-177.873.1171.9-177.8-175.70114.8E56 R102 R103 T105 G123 M146E56-K121 IonicContact OE2-NZ 2.65Å; R102-K121 HydrophobicContact CB-CG 4.17Å; R103-K121 HydrophobicContact CB-CD 4.26Å; R103-K121 PolarHBondContact O-N 3.04Å; T105-K121 HydrophobicContact CG2-CB 4.42Å; K121-G123 VanDerWaalsContact C-N 3.34Å; K121-M146 HydrophobicContact CB-CE 4.03Å
122S95.8Very high97.2Very high49 Ų4930.2 Ų30.234%0.34317%0.17SC..THydrogen-bonded Turntrans-82.6-15.3176.728.20000113.1R102 D120R102-S122 VanDerWaalsContact CG-OG 3.25Å; R102-S122 WeakPolarHBondContact CG-OG 3.13Å; D120-S122 PolarHBondContact O-N 3.13Å; D120-S122 WeakPolarHBondContact OD1-CA 3.48Å; D120-S122 WeakPolarHBondContact OD1-CB 3.22Å; D120-S122 PolarHBondContact OD1-N 3.49Å; D120-S122 PolarHBondContact OD1-OG 2.99Å; D120-S122 PolarHBondContact OD2-OG 2.87Å; D120-S122 VanDerWaalsContact OD2-OG 3.14Å
123G96.9Very high97Very high0 Ų028.9 Ų28.90%016%0.156CC..SBendtrans108.14.1-177.400000113.7D120 K121 G142 H143 S145 L147D120-G123 PolarHBondContact O-N 3.27Å; D120-G123 VanDerWaalsContact O-N 3.16Å; D120-G123 PolarHBondContact OD1-N 2.7Å; D120-G123 VanDerWaalsContact OD1-N 3.1Å; K121-G123 VanDerWaalsContact C-N 3.34Å; G123-G142 CarbonylContact O-C 3.52Å; G123-G142 WeakPolarHBondContact O-CA 3.41Å; G123-H143 PolarHBondContact O-N 3.5Å; G123-S145 WeakPolarHBondContact CA-O 3.35Å; G123-L147 VanDerWaalsContact O-CD1 3.32Å; G123-L147 WeakPolarHBondContact O-CD1 3.48Å
124D98.3Very high96.8Very high39 Ų3934.1 Ų34.121%0.20918%0.18CC..EExtended strand (participates in β ladder)trans-94.3150.1-174.8-68.5-30.5000112A119 D120 Y126 L139 M141 G142A119-D124 WeakPolarHBondContact CA-O 3.41Å; D120-D124 PolarHBondContact N-O 2.86Å; D120-D124 PolarHBondContact OD1-N 2.82Å; D124-Y126 HydrophobicContact CB-CD2 4.21Å; D124-Y126 HydrophobicContact CB-CE2 3.58Å; D124-L139 HydrophobicContact CB-CD1 3.75Å; D124-M141 WeakPolarHBondContact CA-O 3.36Å; D124-G142 WeakPolarHBondContact OD1-CA 3.43Å
125V98.6Very high96.8Very high0 Ų035.7 Ų35.70%019%0.185CC..EExtended strand (participates in β ladder)trans-115.5120.1168.2-176.10000108.9L117 V118 A119 K140 M141 L147 T161L117-V125 HydrophobicContact CB-CG1 4.15Å; L117-V125 HydrophobicContact CD1-CG1 4.44Å; L117-V125 HydrophobicContact CD2-CG1 4.27Å; V118-V125 WeakPolarHBondContact O-CA 3.48Å; A119-V125 HydrophobicContact CB-CG2 4.42Å; V125-K140 PolarHBondContact O-N 2.96Å; V125-M141 HydrophobicContact CB-CG 3.94Å; V125-M141 HydrophobicContact CG2-CG 4.04Å; V125-M141 PolarHBondContact N-O 2.57Å; V125-M141 PolarHBondContact O-N 2.95Å; V125-L147 HydrophobicContact CG2-CD1 3.34Å; V125-T161 HydrophobicContact CG2-CG2 3.75Å
126Y98.5Very high96.7Very high32 Ų3240.5 Ų40.513%0.12521%0.211CC..EExtended strand (participates in β ladder)trans-102.6149.4171-66.9-99.1000110V101 L117 V118 D124 E138 L139V101-Y126 HydrophobicContact CB-CE2 4.3Å; V101-Y126 HydrophobicContact CG2-CE1 3.77Å; V101-Y126 HydrophobicContact CG2-CE2 4.19Å; L117-Y126 CarbonylContact C-O 3.59Å; L117-Y126 WeakPolarHBondContact CA-O 3.26Å; V118-Y126 PolarHBondContact N-O 2.9Å; V118-Y126 PolarHBondContact O-N 2.82Å; D124-Y126 HydrophobicContact CB-CD2 4.21Å; D124-Y126 HydrophobicContact CB-CE2 3.58Å; Y126-E138 CarbonylContact C-O 3.5Å; Y126-E138 VanDerWaalsContact CA-O 3.29Å; Y126-E138 WeakPolarHBondContact CA-O 3.33Å; Y126-L139 HydrophobicContact CD1-CB 4.17Å; Y126-L139 HydrophobicContact CD2-CD1 4.49Å; Y126-L139 HydrophobicContact CE1-CB 3.87Å; Y126-L139 HydrophobicContact CE1-CD1 4.15Å; Y126-L139 HydrophobicContact CE2-CD1 4.07Å
127S98.1Very high96.5Very high8 Ų841.7 Ų41.76%0.05622%0.224CC..EExtended strand (participates in β ladder)trans-110.9132.2168.2179.60000110E115 L116 G137 E138E115-S127 PolarHBondContact OE2-OG 3.39Å; L116-S127 WeakPolarHBondContact O-CA 3.45Å; S127-G137 CarbonylContact O-C 3.59Å; S127-G137 WeakPolarHBondContact O-CA 3.42Å; S127-E138 PolarHBondContact N-O 3.17Å; S127-E138 PolarHBondContact O-N 2.89Å
128F98.3Very high96.5Very high3 Ų346 Ų461%0.01324%0.244CC..EExtended strand (participates in β ladder)trans-114.2130.8176.4-74.1-96.5000108.8L83 R98 V100 L116 V118 V130L83-F128 HydrophobicContact CD2-CB 4Å; L83-F128 HydrophobicContact CD2-CD1 3.57Å; L83-F128 HydrophobicContact CD2-CD2 3.66Å; L83-F128 HydrophobicContact CD2-CE1 3.85Å; L83-F128 HydrophobicContact CD2-CE2 3.94Å; L83-F128 HydrophobicContact CD2-CG 3.45Å; L83-F128 VanDerWaalsContact CD2-CG 3.45Å; L83-F128 HydrophobicContact CD2-CZ 4.02Å; R98-F128 HydrophobicContact CB-CE1 4.37Å; V100-F128 HydrophobicContact CG1-CE2 4.11Å; V100-F128 HydrophobicContact CG1-CZ 3.87Å; L116-F128 HydrophobicContact CB-CB 4.49Å; L116-F128 PolarHBondContact N-O 2.79Å; L116-F128 PolarHBondContact O-N 2.89Å; V118-F128 HydrophobicContact CB-CD2 4.16Å; V118-F128 HydrophobicContact CB-CE2 4.02Å; V118-F128 HydrophobicContact CG2-CD2 3.45Å; V118-F128 VanDerWaalsContact CG2-CD2 3.45Å; V118-F128 HydrophobicContact CG2-CE2 3.68Å; F128-V130 PolarHBondContact O-N 2.94Å
129S97.6Very high96.4Very high21 Ų2150.7 Ų50.715%0.14727%0.268CS..EExtended strand (participates in β ladder)trans-67.4135.7175.4-173.70000110.2R98 V131 E132R98-S129 PolarHBondContact NH1-O 3.21Å; R98-S129 PolarHBondContact NH2-O 2.93Å; S129-V131 PolarHBondContact OG-N 2.75Å; S129-E132 PolarHBondContact OG-N 2.99Å
130V96.9Very high96.4Very high18 Ų1853 Ų5311%0.10928%0.278CS..SBendtrans-84.1-36.3168.7177.70000110L73 L85 F109 E113 D114 L116 F128L73-V130 HydrophobicContact CD1-CG1 3.53Å; L85-V130 HydrophobicContact CD2-CG1 4.22Å; F109-V130 HydrophobicContact CD1-CG2 4.11Å; F109-V130 HydrophobicContact CE1-CG2 3.98Å; E113-V130 WeakPolarHBondContact O-CB 3.25Å; E113-V130 WeakPolarHBondContact O-CG1 3.23Å; D114-V130 PolarHBondContact O-N 3.21Å; L116-V130 HydrophobicContact CB-CG2 4.27Å; F128-V130 PolarHBondContact O-N 2.94Å
131V96.4Very high96.4Very high110 Ų11053.5 Ų53.567%0.66728%0.281SS*.SBendtrans-75.3-34.7-178.2-174.20000112.1D114 S129 P133D114-V131 HydrophobicContact CB-CG2 4.16Å; S129-V131 PolarHBondContact OG-N 2.75Å; V131-P133 VanDerWaalsContact C-CD 3.45Å; V131-P133 WeakPolarHBondContact O-CD 3.07Å
132E96.5Very high96.5Very high110 Ų11052.1 Ų52.151%0.51429%0.285SS..SBendtrans-110.578.1175.2-59.4-179.3119.900109S129 E134 K135S129-E132 PolarHBondContact OG-N 2.99Å; E132-E134 PolarHBondContact O-N 2.97Å; E132-E134 VanDerWaalsContact O-N 3.11Å; E132-K135 HydrophobicContact CB-CB 3.92Å; E132-K135 VanDerWaalsContact O-CB 3.28Å; E132-K135 WeakPolarHBondContact O-CB 3.21Å; E132-K135 PolarHBondContact O-N 3.37Å; E132-K135 WeakPolarHBondContact OE2-CD 3.29Å
133P91.1Very high96.5Very high33 Ų3350.8 Ų50.821%0.21427%0.274CS..THydrogen-bonded Turntrans-69-14.2-16728.3-37.6000114.3I95 S96 R98 V131I95-P133 HydrophobicContact CG2-CB 3.6Å; I95-P133 HydrophobicContact CG2-CG 3.94Å; S96-P133 VanDerWaalsContact CB-O 3.3Å; S96-P133 WeakPolarHBondContact CB-O 3.42Å; S96-P133 PolarHBondContact OG-O 2.89Å; R98-P133 WeakPolarHBondContact CD-O 3.4Å; R98-P133 PolarHBondContact NE-O 2.96Å; V131-P133 VanDerWaalsContact C-CD 3.45Å; V131-P133 WeakPolarHBondContact O-CD 3.07Å
134E92.1Very high96.5Very high150 Ų15059.8 Ų59.870%0.70132%0.321SS*.THydrogen-bonded Turntrans-91.2-8.5174.8-59-55.5142.900113E132E132-E134 PolarHBondContact O-N 2.97Å; E132-E134 VanDerWaalsContact O-N 3.11Å
135K95.6Very high96.4Very high81 Ų8158.6 Ų58.635%0.35232%0.316SS..SBendtrans-73.8131.9-178.8-171.3178.1171.6-172.40110.2R98 E132 E138R98-K135 WeakPolarHBondContact CD-O 3.42Å; R98-K135 PolarHBondContact NH1-O 2.87Å; E132-K135 HydrophobicContact CB-CB 3.92Å; E132-K135 VanDerWaalsContact O-CB 3.28Å; E132-K135 WeakPolarHBondContact O-CB 3.21Å; E132-K135 PolarHBondContact O-N 3.37Å; E132-K135 WeakPolarHBondContact OE2-CD 3.29Å; K135-E138 WeakPolarHBondContact CE-OE1 3.46Å; K135-E138 IonicContact NZ-OE1 2.82Å; K135-E138 PolarHBondContact NZ-OE1 3.19Å
136D94.1Very high96.3Very high126 Ų12661.1 Ų61.167%0.67433%0.328SS*.PPolyproline II helixtrans-61.7154.8173.5-75.4-28.4000111.8
137G95.9Very high96.2Very high26 Ų2659.6 Ų59.627%0.26832%0.322SS..PPolyproline II helixtrans-69138.7179.600000112.8S127S127-G137 CarbonylContact O-C 3.59Å; S127-G137 WeakPolarHBondContact O-CA 3.42Å
138E96.8Very high96.2Very high90 Ų9060.3 Ų60.342%0.42133%0.325SS..EExtended strand (participates in β ladder)trans-100.6127.3175.4-67.1179.8-17600110.3Y126 S127 K135 K140Y126-E138 CarbonylContact C-O 3.5Å; Y126-E138 VanDerWaalsContact CA-O 3.29Å; Y126-E138 WeakPolarHBondContact CA-O 3.33Å; S127-E138 PolarHBondContact N-O 3.17Å; S127-E138 PolarHBondContact O-N 2.89Å; K135-E138 WeakPolarHBondContact CE-OE1 3.46Å; K135-E138 IonicContact NZ-OE1 2.82Å; K135-E138 PolarHBondContact NZ-OE1 3.19Å; E138-K140 PolarHBondContact O-N 3.02Å
139L97.8Very high96.2Very high100 Ų10060.5 Ų60.552%0.52433%0.327SS..EExtended strand (participates in β ladder)trans-64.8120.8173.9179.166.2000109.9D124 Y126D124-L139 HydrophobicContact CB-CD1 3.75Å; Y126-L139 HydrophobicContact CD1-CB 4.17Å; Y126-L139 HydrophobicContact CD2-CD1 4.49Å; Y126-L139 HydrophobicContact CE1-CB 3.87Å; Y126-L139 HydrophobicContact CE1-CD1 4.15Å; Y126-L139 HydrophobicContact CE2-CD1 4.07Å
140K97.2Very high96.3Very high47 Ų4759.9 Ų59.920%0.20432%0.323CS..EExtended strand (participates in β ladder)trans-95.3-45.2178.6-68.5-71-173.2167.30111.8E115 V125 E138 P176E115-K140 IonicContact OE1-NZ 3.26Å; E115-K140 PolarHBondContact OE1-NZ 3.4Å; E115-K140 WeakPolarHBondContact OE2-CE 3.37Å; E115-K140 IonicContact OE2-NZ 2.86Å; E115-K140 PolarHBondContact OE2-NZ 2.83Å; E115-K140 VanDerWaalsContact OE2-NZ 3.13Å; V125-K140 PolarHBondContact O-N 2.96Å; E138-K140 PolarHBondContact O-N 3.02Å; K140-P176 HydrophobicContact CB-CG 4.1Å; K140-P176 HydrophobicContact CD-CG 4.38Å; K140-P176 WeakPolarHBondContact O-CB 3.16Å
141M97.6Very high96.3Very high14 Ų1460.2 Ų60.27%0.06932%0.324CS..EExtended strand (participates in β ladder)trans-164.3165.9-17855.7-177-74.600111.6D124 V125 I159 T161 P176D124-M141 WeakPolarHBondContact CA-O 3.36Å; V125-M141 HydrophobicContact CB-CG 3.94Å; V125-M141 HydrophobicContact CG2-CG 4.04Å; V125-M141 PolarHBondContact N-O 2.57Å; V125-M141 PolarHBondContact O-N 2.95Å; M141-I159 HydrophobicContact SD-CD1 4.26Å; M141-I159 HydrophobicContact SD-CG2 4.4Å; M141-T161 HydrophobicContact CE-CG2 4.2Å; M141-T161 HydrophobicContact SD-CG2 4.45Å; M141-P176 HydrophobicContact CB-CB 3.99Å; M141-P176 HydrophobicContact CG-CB 4.28Å; M141-P176 HydrophobicContact SD-CB 4.09Å
142G95.9Very high96.4Very high37 Ų3755.1 Ų55.138%0.38129%0.294SS..EExtended strand (participates in β ladder)trans-140.8148.9176.400000113.2G123 D124G123-G142 CarbonylContact O-C 3.52Å; G123-G142 WeakPolarHBondContact O-CA 3.41Å; D124-G142 WeakPolarHBondContact OD1-CA 3.43Å
143H96.6Very high96.4Very high21 Ų2149.9 Ų49.910%0.09727%0.269CS..  trans-106.2158.3168.3-76.4-128.1000109G123 S145 L147 T161 D163G123-H143 PolarHBondContact O-N 3.5Å; H143-S145 VanDerWaalsContact C-N 3.26Å; H143-S145 WeakPolarHBondContact CB-O 3.41Å; H143-L147 HydrophobicContact CB-CD2 4.16Å; H143-L147 HydrophobicContact CB-CG 4.49Å; H143-T161 PolarHBondContact CE1-OG1 3.16Å; H143-T161 VanDerWaalsContact CE1-OG1 3.28Å; H143-T161 PolarHBondContact NE2-OG1 3.17Å; H143-D163 IonicContact CE1-OD2 2.67Å; H143-D163 IonicContact ND1-OD2 3.99Å; H143-D163 PolarHBondContact ND1-OD2 2.76Å
144L95.7Very high96.6Very high190 Ų19050.9 Ų50.9100%0.99528%0.28SS*.SBendtrans-79.6-14.6171.1-63.3178.7000112.6
145S96.1Very high96.8Very high14 Ų1447.3 Ų47.310%0.09827%0.266CS..SBendtrans-114.3156.9-177.9-155.50000109.7G123 H143 L147 D165G123-S145 WeakPolarHBondContact CA-O 3.35Å; H143-S145 VanDerWaalsContact C-N 3.26Å; H143-S145 WeakPolarHBondContact CB-O 3.41Å; S145-L147 PolarHBondContact O-N 3.34Å; S145-D165 WeakPolarHBondContact CB-OD2 3.46Å; S145-D165 VanDerWaalsContact OG-CG 3.31Å; S145-D165 PolarHBondContact OG-OD2 3.44Å
146M96.5Very high96.9Very high53 Ų5344.4 Ų44.426%0.26125%0.254SS..  trans-55.2127176.2177.6-179-73.500110.4K121 L148 D163 R164 L362K121-M146 HydrophobicContact CB-CE 4.03Å; M146-L148 HydrophobicContact CG-CD2 4.05Å; M146-L148 HydrophobicContact SD-CD2 3.9Å; M146-D163 CarbonylContact O-C 3.51Å; M146-D163 VanDerWaalsContact O-CA 3.29Å; M146-D163 WeakPolarHBondContact O-CA 3.45Å; M146-D163 WeakPolarHBondContact O-CB 3.25Å; M146-R164 HydrophobicContact CB-CB 4.26Å; M146-R164 PolarHBondContact O-N 2.91Å; M146-L362 HydrophobicContact SD-CD2 3.9Å
147L98.1Very high97Very high0 Ų043.4 Ų43.40%025%0.245CC..EExtended strand (participates in β ladder)trans-77.6138.6169.9-73.2-179000109.8T105 A119 G123 V125 H143 S145 T161 D163T105-L147 VanDerWaalsContact CB-O 3.26Å; T105-L147 WeakPolarHBondContact CB-O 3.39Å; T105-L147 WeakPolarHBondContact CG2-O 3.4Å; T105-L147 PolarHBondContact OG1-O 3.33Å; A119-L147 HydrophobicContact CB-CB 4.03Å; A119-L147 HydrophobicContact CB-CD1 3.91Å; G123-L147 VanDerWaalsContact O-CD1 3.32Å; G123-L147 WeakPolarHBondContact O-CD1 3.48Å; V125-L147 HydrophobicContact CG2-CD1 3.34Å; H143-L147 HydrophobicContact CB-CD2 4.16Å; H143-L147 HydrophobicContact CB-CG 4.49Å; S145-L147 PolarHBondContact O-N 3.34Å; L147-T161 HydrophobicContact CD1-CG2 4.27Å; L147-T161 HydrophobicContact CD2-CG2 4.38Å; L147-D163 HydrophobicContact CD2-CB 4.11Å
148L97.8Very high97.2Very high23 Ų2343.6 Ų43.612%0.1224%0.238CC..EExtended strand (participates in β ladder)trans-117.6-28.3-178.7-63.9176.9000112.2M146 A162 R164 F189 V190 L362M146-L148 HydrophobicContact CG-CD2 4.05Å; M146-L148 HydrophobicContact SD-CD2 3.9Å; L148-A162 PolarHBondContact N-O 3.15Å; L148-R164 HydrophobicContact CD1-CB 4.28Å; L148-F189 HydrophobicContact CD1-CB 3.69Å; L148-F189 HydrophobicContact CD1-CD2 3.89Å; L148-F189 HydrophobicContact CD1-CG 4.15Å; L148-V190 VanDerWaalsContact CB-O 3.29Å; L148-V190 WeakPolarHBondContact CB-O 3.32Å; L148-L362 HydrophobicContact CD1-CD1 3.87Å; L148-L362 HydrophobicContact CD2-CD1 3.81Å; L148-L362 HydrophobicContact CD2-CD2 4.3Å
149A98.1Very high97.3Very high7 Ų739.3 Ų39.36%0.05822%0.218CC..EExtended strand (participates in β ladder)trans-145.5147.4173.400000111.6T161 A162 L193A149-T161 WeakPolarHBondContact O-CA 3.26Å; A149-A162 HydrophobicContact CB-CB 4.21Å; A149-A162 PolarHBondContact N-O 2.95Å; A149-A162 PolarHBondContact O-N 2.99Å; A149-L193 HydrophobicContact CB-CB 4.25Å; A149-L193 HydrophobicContact CB-CD1 4.21Å; A149-L193 HydrophobicContact CB-CG 3.94Å
150V98.6Very high97.3Very high8 Ų834.6 Ų34.65%0.04819%0.193CC..EExtended strand (participates in β ladder)trans-133.3141.616863.70000109.2S106 A108 L117 A119 I159 I160 T161S106-V150 PolarHBondContact OG-N 2.68Å; A108-V150 HydrophobicContact CB-CG1 4.22Å; L117-V150 HydrophobicContact CB-CG2 4.48Å; L117-V150 HydrophobicContact CD1-CG2 4.28Å; A119-V150 HydrophobicContact CB-CB 3.95Å; A119-V150 HydrophobicContact CB-CG1 3.72Å; V150-I159 HydrophobicContact CG2-CG2 3.74Å; V150-I160 CarbonylContact C-O 3.59Å; V150-I160 WeakPolarHBondContact CA-O 3.32Å; V150-T161 HydrophobicContact CB-CG2 4.47Å; V150-T161 HydrophobicContact CG2-CG2 4.04Å
151T98.2Very high97.4Very high24 Ų2432.3 Ų32.315%0.14718%0.184CC..EExtended strand (participates in β ladder)trans-144.5167170.4-169.20000110.1I160 L193 I195 L203T151-I160 HydrophobicContact CG2-CB 3.85Å; T151-I160 HydrophobicContact CG2-CD1 4.42Å; T151-I160 HydrophobicContact CG2-CG1 4.48Å; T151-I160 PolarHBondContact N-O 3.05Å; T151-I160 PolarHBondContact O-N 3.41Å; T151-L193 HydrophobicContact CG2-CB 4.04Å; T151-L193 HydrophobicContact CG2-CD1 4.24Å; T151-I195 HydrophobicContact CG2-CD1 4.07Å; T151-I195 HydrophobicContact CG2-CG1 4.19Å; T151-L203 HydrophobicContact CG2-CD1 4.24Å
152I98.1Very high97.4Very high4 Ų431.7 Ų31.72%0.02118%0.18CC..EExtended strand (participates in β ladder)trans-123.8137.4-178.4-57.4174.2000108A108 L117 D156 Y158 L173 I195A108-I152 HydrophobicContact CB-CD1 4.43Å; A108-I152 HydrophobicContact CB-CG1 4.31Å; L117-I152 HydrophobicContact CB-CD1 4.49Å; L117-I152 HydrophobicContact CD1-CD1 3.45Å; L117-I152 VanDerWaalsContact CD1-CD1 3.45Å; L117-I152 HydrophobicContact CD1-CG1 3.54Å; L117-I152 HydrophobicContact CG-CD1 3.71Å; L117-I152 HydrophobicContact CG-CG1 4.32Å; I152-D156 WeakPolarHBondContact CG2-OD1 3.26Å; I152-Y158 WeakPolarHBondContact CA-O 3.15Å; I152-L173 HydrophobicContact CG2-CD2 4.34Å; I152-I195 WeakPolarHBondContact O-CD1 3.42Å
153S97.5Very high97.5Very high0 Ų030 Ų300%016%0.163CC..  trans-62153.4177.160.80000111.9D155 D156 Q157 Y158S153-D155 VanDerWaalsContact CB-OD1 3.26Å; S153-D155 WeakPolarHBondContact CB-OD1 3.41Å; S153-D155 PolarHBondContact O-N 3.02Å; S153-D155 PolarHBondContact OG-OD1 3.34Å; S153-D156 PolarHBondContact O-N 3.5Å; S153-Q157 PolarHBondContact OG-N 3.09Å; S153-Y158 PolarHBondContact N-O 2.89Å; S153-Y158 PolarHBondContact OG-N 3.22Å
154A94.7Very high97.5Very high53 Ų5332.9 Ų32.944%0.43817%0.173SC..THydrogen-bonded Turntrans-62-12.7-175.500000114.5P200A154-P200 HydrophobicContact CB-CB 3.68Å
155D96Very high97.6Very high76 Ų7626.6 Ų26.641%0.40614%0.14SC..THydrogen-bonded Turntrans-109.110179.463.7-6.1000113.5S153 Q157S153-D155 VanDerWaalsContact CB-OD1 3.26Å; S153-D155 WeakPolarHBondContact CB-OD1 3.41Å; S153-D155 PolarHBondContact O-N 3.02Å; S153-D155 PolarHBondContact OG-OD1 3.34Å; D155-Q157 HydrophobicContact CB-CG 4.16Å; D155-Q157 PolarHBondContact O-N 3.23Å; D155-Q157 PolarHBondContact O-NE2 3Å; D155-Q157 VanDerWaalsContact O-NE2 3.17Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.46Å; D155-Q157 PolarHBondContact OD1-N 3.24Å; D155-Q157 VanDerWaalsContact OD1-N 3.14Å; D155-Q157 VanDerWaalsContact OD2-CG 3.22Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.11Å
156D97Very high97.6Very high20 Ų2028.4 Ų28.411%0.10715%0.147CC..SBendtrans52.326.2-175.6-75.6-26.8000113.9Q111 A112 I152 S153 L173Q111-D156 PolarHBondContact N-OD1 2.88Å; Q111-D156 PolarHBondContact N-OD2 2.88Å; Q111-D156 VanDerWaalsContact N-OD2 3.14Å; A112-D156 WeakPolarHBondContact CB-OD2 3.22Å; A112-D156 PolarHBondContact N-OD2 3.03Å; I152-D156 WeakPolarHBondContact CG2-OD1 3.26Å; S153-D156 PolarHBondContact O-N 3.5Å; D156-L173 HydrophobicContact CB-CD2 3.91Å; D156-L173 WeakPolarHBondContact O-CB 3.34Å; D156-L173 WeakPolarHBondContact O-CD2 3.4Å
157Q97.9Very high97.6Very high105 Ų10529.7 Ų29.749%0.49115%0.151SC..  trans-86.9-29.2177.6-64.9-52.6-62.700113S153 D155 R172 L173S153-Q157 PolarHBondContact OG-N 3.09Å; D155-Q157 HydrophobicContact CB-CG 4.16Å; D155-Q157 PolarHBondContact O-N 3.23Å; D155-Q157 PolarHBondContact O-NE2 3Å; D155-Q157 VanDerWaalsContact O-NE2 3.17Å; D155-Q157 WeakPolarHBondContact OD1-CB 3.46Å; D155-Q157 PolarHBondContact OD1-N 3.24Å; D155-Q157 VanDerWaalsContact OD1-N 3.14Å; D155-Q157 VanDerWaalsContact OD2-CG 3.22Å; D155-Q157 WeakPolarHBondContact OD2-CG 3.11Å; Q157-R172 CarbonylContact O-C 3.06Å; Q157-R172 WeakPolarHBondContact O-CA 3.43Å; Q157-L173 PolarHBondContact O-N 3.17Å
158Y98.6Very high97.6Very high30 Ų3029.7 Ų29.712%0.11815%0.151CC..EExtended strand (participates in β ladder)trans-130.8139.7-170.2-55.3-76.6000113.2I152 S153 V170 S171 R172 Q180 F217 E218I152-Y158 WeakPolarHBondContact CA-O 3.15Å; S153-Y158 PolarHBondContact N-O 2.89Å; S153-Y158 PolarHBondContact OG-N 3.22Å; Y158-V170 HydrophobicContact CD1-CG1 3.78Å; Y158-V170 HydrophobicContact CG-CG1 3.93Å; Y158-S171 CarbonylContact C-O 3.48Å; Y158-S171 WeakPolarHBondContact CA-O 3.43Å; Y158-R172 HydrophobicContact CE1-CG 4.35Å; Y158-Q180 HydrophobicContact CD1-CB 4.12Å; Y158-Q180 HydrophobicContact CD1-CG 4.29Å; Y158-Q180 HydrophobicContact CE1-CB 3.82Å; Y158-Q180 HydrophobicContact CE1-CG 3.65Å; Y158-F217 AromaticContact CD2-CE2 3.83Å; Y158-F217 HydrophobicContact CD2-CE2 3.83Å; Y158-F217 HydrophobicContact CE2-CE2 4.36Å; Y158-F217 HydrophobicContact CG-CE2 4.36Å; Y158-E218 HydrophobicContact CE2-CG 3.95Å
159I98.5Very high97.7Very high0 Ų030.1 Ų30.10%015%0.151CC..EExtended strand (participates in β ladder)trans-94.3129.7159.5-51.7169.5000106.9L117 M141 V150 T161 S171 L173 P176L117-I159 HydrophobicContact CD1-CB 4.41Å; L117-I159 HydrophobicContact CD1-CD1 4.06Å; L117-I159 HydrophobicContact CD1-CG1 3.79Å; L117-I159 HydrophobicContact CD1-CG2 3.83Å; M141-I159 HydrophobicContact SD-CD1 4.26Å; M141-I159 HydrophobicContact SD-CG2 4.4Å; V150-I159 HydrophobicContact CG2-CG2 3.74Å; I159-T161 HydrophobicContact CG2-CG2 3.96Å; I159-S171 PolarHBondContact N-O 3.36Å; I159-S171 PolarHBondContact O-N 3.13Å; I159-L173 HydrophobicContact CD1-CD1 3.71Å; I159-L173 HydrophobicContact CG1-CB 4.13Å; I159-L173 HydrophobicContact CG1-CD1 3.33Å; I159-L173 HydrophobicContact CG1-CG 4.33Å; I159-P176 HydrophobicContact CD1-CB 4.42Å; I159-P176 HydrophobicContact CD1-CG 4.1Å
160I98.8Very high97.7Very high0 Ų029.8 Ų29.80%015%0.149CC..EExtended strand (participates in β ladder)trans-115.5119.4174.6-49.8-179000108.1V150 T151 I168 R169 V170 L193 I195 L203 F217V150-I160 CarbonylContact C-O 3.59Å; V150-I160 WeakPolarHBondContact CA-O 3.32Å; T151-I160 HydrophobicContact CG2-CB 3.85Å; T151-I160 HydrophobicContact CG2-CD1 4.42Å; T151-I160 HydrophobicContact CG2-CG1 4.48Å; T151-I160 PolarHBondContact N-O 3.05Å; T151-I160 PolarHBondContact O-N 3.41Å; I160-I168 HydrophobicContact CG2-CG2 3.71Å; I160-R169 WeakPolarHBondContact CA-O 3.42Å; I160-V170 HydrophobicContact CG1-CG1 4.3Å; I160-V170 HydrophobicContact CG1-CG2 4.26Å; I160-V170 HydrophobicContact CG2-CG2 4.26Å; I160-L193 HydrophobicContact CB-CD1 4.48Å; I160-L193 HydrophobicContact CG2-CD1 3.86Å; I160-I195 HydrophobicContact CD1-CD1 4.01Å; I160-L203 HydrophobicContact CD1-CD1 4.21Å; I160-L203 HydrophobicContact CD1-CD2 4.4Å; I160-L203 HydrophobicContact CG2-CD1 4.44Å; I160-L203 HydrophobicContact CG2-CD2 3.76Å; I160-F217 HydrophobicContact CD1-CB 4.18Å; I160-F217 HydrophobicContact CD1-CD1 3.97Å; I160-F217 HydrophobicContact CD1-CD2 3.7Å; I160-F217 HydrophobicContact CD1-CE1 4.26Å; I160-F217 HydrophobicContact CD1-CE2 4.06Å; I160-F217 HydrophobicContact CD1-CG 3.68Å; I160-F217 HydrophobicContact CD1-CZ 4.32Å
161T98.8Very high97.7Very high0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-117.5144.7-179.2530000110.8V125 M141 H143 L147 A149 V150 I159 I168 R169V125-T161 HydrophobicContact CG2-CG2 3.75Å; M141-T161 HydrophobicContact CE-CG2 4.2Å; M141-T161 HydrophobicContact SD-CG2 4.45Å; H143-T161 PolarHBondContact CE1-OG1 3.16Å; H143-T161 VanDerWaalsContact CE1-OG1 3.28Å; H143-T161 PolarHBondContact NE2-OG1 3.17Å; L147-T161 HydrophobicContact CD1-CG2 4.27Å; L147-T161 HydrophobicContact CD2-CG2 4.38Å; A149-T161 WeakPolarHBondContact O-CA 3.26Å; V150-T161 HydrophobicContact CB-CG2 4.47Å; V150-T161 HydrophobicContact CG2-CG2 4.04Å; I159-T161 HydrophobicContact CG2-CG2 3.96Å; T161-I168 CarbonylContact O-C 3.54Å; T161-I168 VanDerWaalsContact O-CA 3.24Å; T161-I168 WeakPolarHBondContact O-CA 3.31Å; T161-R169 PolarHBondContact N-O 2.89Å; T161-R169 PolarHBondContact O-N 3.38Å
162A98.6Very high97.7Very high0 Ų034.2 Ų34.20%016%0.162CC..EExtended strand (participates in β ladder)trans-124137.7174.800000110.8L148 A149 K167 I168 V190 L193L148-A162 PolarHBondContact N-O 3.15Å; A149-A162 HydrophobicContact CB-CB 4.21Å; A149-A162 PolarHBondContact N-O 2.95Å; A149-A162 PolarHBondContact O-N 2.99Å; A162-K167 WeakPolarHBondContact CA-O 3.29Å; A162-I168 HydrophobicContact CB-CG1 4.33Å; A162-V190 HydrophobicContact CB-CB 3.8Å; A162-V190 HydrophobicContact CB-CG1 3.56Å; A162-L193 HydrophobicContact CB-CD1 3.71Å; A162-L193 HydrophobicContact CB-CD2 4.11Å; A162-L193 HydrophobicContact CB-CG 3.85Å
163D97.6Very high97.7Very high3 Ų334.2 Ų34.22%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-123.5170.8-175.273.327.4000114.6H143 M146 L147 D165 E166 K167 V190H143-D163 IonicContact CE1-OD2 2.67Å; H143-D163 IonicContact ND1-OD2 3.99Å; H143-D163 PolarHBondContact ND1-OD2 2.76Å; M146-D163 CarbonylContact O-C 3.51Å; M146-D163 VanDerWaalsContact O-CA 3.29Å; M146-D163 WeakPolarHBondContact O-CA 3.45Å; M146-D163 WeakPolarHBondContact O-CB 3.25Å; L147-D163 HydrophobicContact CD2-CB 4.11Å; D163-D165 PolarHBondContact O-N 3.26Å; D163-D165 VanDerWaalsContact OD1-CA 3.3Å; D163-D165 WeakPolarHBondContact OD1-CA 3.23Å; D163-D165 PolarHBondContact OD1-N 3.3Å; D163-E166 PolarHBondContact O-N 3.09Å; D163-E166 PolarHBondContact OD1-N 3.02Å; D163-K167 PolarHBondContact N-O 2.98Å; D163-K167 PolarHBondContact OD1-N 2.78Å; D163-V190 PolarHBondContact O-N 2.99Å
164R97.1Very high97.6Very high81 Ų8142.1 Ų42.131%0.30619%0.191SC..THydrogen-bonded Turntrans-65.4-21.8177.4-172.7-174.9176.2-155.33.9113.3M146 L148 E166 F189 H361 L362M146-R164 HydrophobicContact CB-CB 4.26Å; M146-R164 PolarHBondContact O-N 2.91Å; L148-R164 HydrophobicContact CD1-CB 4.28Å; R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 PolarHBondContact O-N 2.99Å; R164-F189 HydrophobicContact CB-CB 4.43Å; R164-F189 HydrophobicContact CG-CB 4.14Å; R164-F189 WeakPolarHBondContact O-CA 3.38Å; R164-F189 WeakPolarHBondContact O-CB 3.36Å; R164-H361 PolarHBondContact NH2-O 2.8Å; R164-L362 HydrophobicContact CG-CD2 4.45Å; R164-L362 PolarHBondContact NE-O 3.22Å; R164-L362 PolarHBondContact NH2-O 3.03Å
165D96.2Very high97.7Very high58 Ų5840.6 Ų40.631%0.3118%0.178SC..THydrogen-bonded Turntrans-97.235.2179.5-75.1-42.5000112.9S145 D163 K167 K364S145-D165 WeakPolarHBondContact CB-OD2 3.46Å; S145-D165 VanDerWaalsContact OG-CG 3.31Å; S145-D165 PolarHBondContact OG-OD2 3.44Å; D163-D165 PolarHBondContact O-N 3.26Å; D163-D165 VanDerWaalsContact OD1-CA 3.3Å; D163-D165 WeakPolarHBondContact OD1-CA 3.23Å; D163-D165 PolarHBondContact OD1-N 3.3Å; D165-K167 PolarHBondContact O-N 3.06Å; D165-K167 VanDerWaalsContact O-N 3.15Å; D165-K167 PolarHBondContact O-NZ 3.38Å; D165-K364 VanDerWaalsContact OD1-CE 3.28Å; D165-K364 WeakPolarHBondContact OD1-CE 3.44Å; D165-K364 IonicContact OD1-NZ 2.95Å; D165-K364 PolarHBondContact OD1-NZ 3.17Å
166E96.8Very high97.7Very high52 Ų5237.6 Ų37.624%0.24316%0.162CC..SBendtrans71.50.9168.9-56.9136.9-135.100115.2D163 R164 H186 Q188 K364D163-E166 PolarHBondContact O-N 3.09Å; D163-E166 PolarHBondContact OD1-N 3.02Å; R164-E166 VanDerWaalsContact C-N 3.3Å; R164-E166 PolarHBondContact O-N 2.99Å; E166-H186 HydrophobicContact CB-CB 4.45Å; E166-Q188 WeakPolarHBondContact CG-O 3.46Å; E166-K364 IonicContact OE1-NZ 3.98Å; E166-K364 PolarHBondContact OE1-NZ 3.41Å
167K97Very high97.6Very high79 Ų7946.1 Ų46.134%0.34319%0.194SC..  trans-89.6136.1-173.2-59.7178.6-162.867.30110.5A162 D163 D165A162-K167 WeakPolarHBondContact CA-O 3.29Å; D163-K167 PolarHBondContact N-O 2.98Å; D163-K167 PolarHBondContact OD1-N 2.78Å; D165-K167 PolarHBondContact O-N 3.06Å; D165-K167 VanDerWaalsContact O-N 3.15Å; D165-K167 PolarHBondContact O-NZ 3.38Å
168I98.8Very high97.6Very high0 Ų043 Ų430%018%0.184CC..EExtended strand (participates in β ladder)trans-110.4117.6161-59.8166.9000106.6I160 T161 A162 Y182 C183 V190 L193 L203 S205 W215I160-I168 HydrophobicContact CG2-CG2 3.71Å; T161-I168 CarbonylContact O-C 3.54Å; T161-I168 VanDerWaalsContact O-CA 3.24Å; T161-I168 WeakPolarHBondContact O-CA 3.31Å; A162-I168 HydrophobicContact CB-CG1 4.33Å; I168-Y182 VanDerWaalsContact O-CA 3.3Å; I168-Y182 WeakPolarHBondContact O-CA 3.48Å; I168-C183 HydrophobicContact CB-CB 3.86Å; I168-C183 HydrophobicContact CD1-CB 4.18Å; I168-C183 HydrophobicContact CG2-CB 4Å; I168-C183 PolarHBondContact O-N 2.87Å; I168-V190 HydrophobicContact CD1-CG1 4.05Å; I168-V190 HydrophobicContact CD1-CG2 4.36Å; I168-V190 HydrophobicContact CG1-CB 4.37Å; I168-V190 HydrophobicContact CG1-CG1 3.96Å; I168-V190 HydrophobicContact CG1-CG2 4.12Å; I168-L193 HydrophobicContact CD1-CD2 4.13Å; I168-L193 HydrophobicContact CG1-CD2 4.27Å; I168-L193 HydrophobicContact CG2-CD2 4.41Å; I168-L203 HydrophobicContact CG2-CD2 3.76Å; I168-S205 VanDerWaalsContact CD1-CB 3.5Å; I168-W215 HydrophobicContact CD1-CZ2 4.33Å
169R98.8Very high97.6Very high33 Ų3344.6 Ų44.613%0.12519%0.194CC..EExtended strand (participates in β ladder)trans-109.9131-179178.2-179.4162.7166.2-5.5109.6I160 T161 S171 P176 I179 Y182I160-R169 WeakPolarHBondContact CA-O 3.42Å; T161-R169 PolarHBondContact N-O 2.89Å; T161-R169 PolarHBondContact O-N 3.38Å; R169-S171 PolarHBondContact NE-OG 2.85Å; R169-P176 PolarHBondContact NH2-O 2.99Å; R169-P176 VanDerWaalsContact NH2-O 3.08Å; R169-I179 HydrophobicContact CG-CG2 4.07Å; R169-I179 VanDerWaalsContact CZ-CG1 3.49Å; R169-I179 VanDerWaalsContact NH2-CG1 3.29Å; R169-Y182 HydrophobicContact CB-CD1 3.93Å; R169-Y182 HydrophobicContact CB-CE1 3.65Å; R169-Y182 HydrophobicContact CG-CD1 4.28Å; R169-Y182 HydrophobicContact CG-CE1 3.72Å
170V98.8Very high97.6Very high0 Ų048 Ų480%021%0.21CC..EExtended strand (participates in β ladder)trans-107.3120.8173.1-174.70000108.1Y158 I160 I179 Q180 S181 F217Y158-V170 HydrophobicContact CD1-CG1 3.78Å; Y158-V170 HydrophobicContact CG-CG1 3.93Å; I160-V170 HydrophobicContact CG1-CG1 4.3Å; I160-V170 HydrophobicContact CG1-CG2 4.26Å; I160-V170 HydrophobicContact CG2-CG2 4.26Å; V170-I179 WeakPolarHBondContact O-CG2 3.48Å; V170-Q180 HydrophobicContact CB-CB 4.3Å; V170-Q180 HydrophobicContact CG1-CB 3.97Å; V170-Q180 HydrophobicContact CG1-CG 4.26Å; V170-Q180 PolarHBondContact O-N 3.28Å; V170-S181 WeakPolarHBondContact CB-OG 3.38Å; V170-S181 WeakPolarHBondContact CG2-OG 3.48Å; V170-S181 PolarHBondContact N-O 2.82Å; V170-S181 PolarHBondContact O-N 2.87Å; V170-F217 HydrophobicContact CG1-CD2 3.96Å; V170-F217 HydrophobicContact CG2-CB 4.01Å; V170-F217 HydrophobicContact CG2-CD2 4.28Å
171S98.8Very high97.6Very high0 Ų048.7 Ų48.70%022%0.215CC..EExtended strand (participates in β ladder)trans-130.2154179.4-49.40000110.5Y158 I159 R169 L173 P176 S178Y158-S171 CarbonylContact C-O 3.48Å; Y158-S171 WeakPolarHBondContact CA-O 3.43Å; I159-S171 PolarHBondContact N-O 3.36Å; I159-S171 PolarHBondContact O-N 3.13Å; R169-S171 PolarHBondContact NE-OG 2.85Å; S171-L173 PolarHBondContact O-N 2.79Å; S171-P176 WeakPolarHBondContact CB-O 3.29Å; S171-S178 WeakPolarHBondContact CA-O 3.48Å
172R98.3Very high97.5Very high125 Ų12553 Ų5347%0.47223%0.231SC..EExtended strand (participates in β ladder)trans-67.9131.5177.2-67.4-172.7176.6-164.5-1.8111.4Q157 Y158 R174 S175 P176 S178Q157-R172 CarbonylContact O-C 3.06Å; Q157-R172 WeakPolarHBondContact O-CA 3.43Å; Y158-R172 HydrophobicContact CE1-CG 4.35Å; R172-R174 PolarHBondContact O-N 3.07Å; R172-S175 WeakPolarHBondContact CB-OG 3.27Å; R172-S175 CarbonylContact O-C 3.57Å; R172-S175 PolarHBondContact O-N 3.14Å; R172-P176 WeakPolarHBondContact O-CA 3.44Å; R172-S178 PolarHBondContact N-O 2.93Å
173L96.9Very high97.6Very high3 Ų353 Ų532%0.01623%0.231CC..THydrogen-bonded Turntrans-60.4-46.5-177.7179.267.2000112.9L117 I152 D156 Q157 I159 S171 S175 P176L117-L173 HydrophobicContact CD1-CD1 4.14Å; I152-L173 HydrophobicContact CG2-CD2 4.34Å; D156-L173 HydrophobicContact CB-CD2 3.91Å; D156-L173 WeakPolarHBondContact O-CB 3.34Å; D156-L173 WeakPolarHBondContact O-CD2 3.4Å; Q157-L173 PolarHBondContact O-N 3.17Å; I159-L173 HydrophobicContact CD1-CD1 3.71Å; I159-L173 HydrophobicContact CG1-CB 4.13Å; I159-L173 HydrophobicContact CG1-CD1 3.33Å; I159-L173 HydrophobicContact CG1-CG 4.33Å; S171-L173 PolarHBondContact O-N 2.79Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.84Å; L173-P176 WeakPolarHBondContact O-CG 3.42Å
174R95.3Very high97.6Very high166 Ų16658.4 Ų58.463%0.62626%0.26SS*.THydrogen-bonded Turntrans-77.9-13.4180-59.7-63.7-174.3-174.4-0.2113.5D114 E115 R172D114-R174 IonicContact OD2-NH2 3.78Å; E115-R174 IonicContact OE1-NH1 3.01Å; E115-R174 PolarHBondContact OE1-NH1 3.08Å; R172-R174 PolarHBondContact O-N 3.07Å
175S96.6Very high97.6Very high22 Ų2255.8 Ų55.815%0.15426%0.258CS..EExtended strand (participates in β ladder)trans-146.371.4178.960.50000111R172 L173 Y177 S178R172-S175 WeakPolarHBondContact CB-OG 3.27Å; R172-S175 CarbonylContact O-C 3.57Å; R172-S175 PolarHBondContact O-N 3.14Å; L173-S175 VanDerWaalsContact C-N 3.29Å; L173-S175 PolarHBondContact O-N 2.84Å; S175-Y177 PolarHBondContact O-N 2.97Å; S175-S178 WeakPolarHBondContact O-CB 3.21Å; S175-S178 PolarHBondContact O-N 2.81Å
176P95.8Very high97.7Very high13 Ų1353.3 Ų53.38%0.08425%0.245CC..EExtended strand (participates in β ladder)trans-64.1-16.3-168.8-24.735.4000115.4K140 M141 I159 R169 S171 R172 L173 S178K140-P176 HydrophobicContact CB-CG 4.1Å; K140-P176 HydrophobicContact CD-CG 4.38Å; K140-P176 WeakPolarHBondContact O-CB 3.16Å; M141-P176 HydrophobicContact CB-CB 3.99Å; M141-P176 HydrophobicContact CG-CB 4.28Å; M141-P176 HydrophobicContact SD-CB 4.09Å; I159-P176 HydrophobicContact CD1-CB 4.42Å; I159-P176 HydrophobicContact CD1-CG 4.1Å; R169-P176 PolarHBondContact NH2-O 2.99Å; R169-P176 VanDerWaalsContact NH2-O 3.08Å; S171-P176 WeakPolarHBondContact CB-O 3.29Å; R172-P176 WeakPolarHBondContact O-CA 3.44Å; L173-P176 WeakPolarHBondContact O-CG 3.42Å; P176-S178 PolarHBondContact O-N 2.69Å
177Y95.1Very high97.6Very high198 Ų19857.6 Ų57.678%0.77627%0.265SS*.EExtended strand (participates in β ladder)trans-66.1-23.3170.258.1-97.3000112.7S175 I179S175-Y177 PolarHBondContact O-N 2.97Å; Y177-I179 PolarHBondContact O-N 2.96Å
178S98.1Very high97.6Very high40 Ų4057.1 Ų57.128%0.2826%0.263SS..EExtended strand (participates in β ladder)trans-85.3101.2174.5-174.80000109.8S171 R172 S175 P176S171-S178 WeakPolarHBondContact CA-O 3.48Å; R172-S178 PolarHBondContact N-O 2.93Å; S175-S178 WeakPolarHBondContact O-CB 3.21Å; S175-S178 PolarHBondContact O-N 2.81Å; P176-S178 PolarHBondContact O-N 2.69Å
179I98.4Very high97.5Very high64 Ų6457.3 Ų57.333%0.32826%0.264SS..EExtended strand (participates in β ladder)trans-79.5124.7175.4-49.9-176.2000108.7R169 V170 Y177 Y182R169-I179 HydrophobicContact CG-CG2 4.07Å; R169-I179 VanDerWaalsContact CZ-CG1 3.49Å; R169-I179 VanDerWaalsContact NH2-CG1 3.29Å; V170-I179 WeakPolarHBondContact O-CG2 3.48Å; Y177-I179 PolarHBondContact O-N 2.96Å; I179-Y182 HydrophobicContact CD1-CE2 4.18Å; I179-Y182 WeakPolarHBondContact CD1-OH 3.4Å; I179-Y182 HydrophobicContact CG2-CD2 4.17Å; I179-Y182 HydrophobicContact CG2-CE2 3.69Å
180Q98.6Very high97.5Very high72 Ų7255.8 Ų55.834%0.33626%0.258SS..EExtended strand (participates in β ladder)trans-80.3-49.9176.6176.459.529.900110.7Y158 V170 E218Y158-Q180 HydrophobicContact CD1-CB 4.12Å; Y158-Q180 HydrophobicContact CD1-CG 4.29Å; Y158-Q180 HydrophobicContact CE1-CB 3.82Å; Y158-Q180 HydrophobicContact CE1-CG 3.65Å; V170-Q180 HydrophobicContact CB-CB 4.3Å; V170-Q180 HydrophobicContact CG1-CB 3.97Å; V170-Q180 HydrophobicContact CG1-CG 4.26Å; V170-Q180 PolarHBondContact O-N 3.28Å; Q180-E218 WeakPolarHBondContact CG-O 3.17Å; Q180-E218 PolarHBondContact NE2-O 2.99Å
181S98.7Very high97.4Very high13 Ų1356.3 Ų56.39%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-162.9173.4-175.270.20000111.6V170 F217V170-S181 WeakPolarHBondContact CB-OG 3.38Å; V170-S181 WeakPolarHBondContact CG2-OG 3.48Å; V170-S181 PolarHBondContact N-O 2.82Å; V170-S181 PolarHBondContact O-N 2.87Å; S181-F217 PolarHBondContact OG-O 2.89Å
182Y98.6Very high97.4Very high90 Ų9057.2 Ų57.235%0.35327%0.268SS..EExtended strand (participates in β ladder)trans-127.1134.3164.4-72.4-89.9000109.6I168 R169 I179 L184 G220I168-Y182 VanDerWaalsContact O-CA 3.3Å; I168-Y182 WeakPolarHBondContact O-CA 3.48Å; R169-Y182 HydrophobicContact CB-CD1 3.93Å; R169-Y182 HydrophobicContact CB-CE1 3.65Å; R169-Y182 HydrophobicContact CG-CD1 4.28Å; R169-Y182 HydrophobicContact CG-CE1 3.72Å; I179-Y182 HydrophobicContact CD1-CE2 4.18Å; I179-Y182 WeakPolarHBondContact CD1-OH 3.4Å; I179-Y182 HydrophobicContact CG2-CD2 4.17Å; I179-Y182 HydrophobicContact CG2-CE2 3.69Å; Y182-L184 PolarHBondContact O-N 3.15Å; Y182-G220 WeakPolarHBondContact O-CA 3.16Å
183C98.7Very high97.4Very high0 Ų052 Ų520%025%0.249CC..EExtended strand (participates in β ladder)trans-91.495.6170.5-59.10000108.6I168 W215I168-C183 HydrophobicContact CB-CB 3.86Å; I168-C183 HydrophobicContact CD1-CB 4.18Å; I168-C183 HydrophobicContact CG2-CB 4Å; I168-C183 PolarHBondContact O-N 2.87Å; C183-W215 HydrophobicContact CB-CD2 3.56Å; C183-W215 HydrophobicContact CB-CE3 3.48Å; C183-W215 VanDerWaalsContact CB-CE3 3.48Å; C183-W215 HydrophobicContact CB-CG 4.02Å; C183-W215 HydrophobicContact CB-CH2 4.17Å; C183-W215 HydrophobicContact CB-CZ2 4.22Å; C183-W215 HydrophobicContact CB-CZ3 3.8Å
184L98.2Very high97.4Very high117 Ų11754.1 Ų54.161%0.61326%0.259SS*.  trans-101134-174.2-59.3178.1000111.8Y182 W215Y182-L184 PolarHBondContact O-N 3.15Å; L184-W215 WeakPolarHBondContact O-CH2 3.44Å; L184-W215 WeakPolarHBondContact O-CZ3 3.26Å
185G97.4Very high97.5Very high26 Ų2647.2 Ų47.227%0.26823%0.234SC..  trans147.9-1172.800000116.8K213G185-K213 VanDerWaalsContact O-CE 3.22Å; G185-K213 WeakPolarHBondContact O-CE 3.41Å
186H97.9Very high97.4Very high7 Ų746.1 Ų46.13%0.03223%0.227CC..  trans-72.7152.9160.6-79.6-64.8000110.3E166 V190 S205 S207 D209 T211 K213E166-H186 HydrophobicContact CB-CB 4.45Å; H186-V190 HydrophobicContact CB-CG2 3.89Å; H186-V190 VanDerWaalsContact CD2-CG2 3.48Å; H186-V190 WeakPolarHBondContact CD2-CG2 3.48Å; H186-S205 PolarHBondContact NE2-OG 2.75Å; H186-S207 WeakPolarHBondContact CE1-CB 3.19Å; H186-S207 WeakPolarHBondContact ND1-CB 3.28Å; H186-S207 PolarHBondContact ND1-OG 2.8Å; H186-D209 WeakPolarHBondContact CA-OD2 3.39Å; H186-D209 IonicContact CG-OD2 3.02Å; H186-D209 IonicContact ND1-OD1 3.79Å; H186-D209 PolarHBondContact ND1-OD1 3.49Å; H186-D209 IonicContact ND1-OD2 2.73Å; H186-D209 PolarHBondContact ND1-OD2 2.98Å; H186-T211 PolarHBondContact CE1-OG1 2.84Å; H186-T211 PolarHBondContact ND1-OG1 2.99Å; H186-K213 VanDerWaalsContact CE1-CE 3.45Å; H186-K213 WeakPolarHBondContact CE1-CE 3.46Å; H186-K213 WeakPolarHBondContact ND1-CE 3.42Å
187H95.9Very high97.3Very high142 Ų14250.1 Ų50.166%0.65725%0.251SS*.SBendtrans-114.2-3.9-178.6-58.2101.1000113.3D209H187-D209 HydrophobicContact CB-CB 4.46Å; H187-D209 PolarHBondContact N-OD2 2.85Å
188Q96.1Very high97.1Very high68 Ų6842.4 Ų42.432%0.31823%0.226SC..SBendtrans-139.7179.3169.1-63.7-178.9-31.500109.9E166 S207 G208 D209 Y363E166-Q188 WeakPolarHBondContact CG-O 3.46Å; Q188-S207 PolarHBondContact O-OG 2.79Å; Q188-G208 PolarHBondContact OE1-O 3Å; Q188-D209 HydrophobicContact CB-CB 4.1Å; Q188-D209 HydrophobicContact CG-CB 4.21Å; Q188-D209 VanDerWaalsContact OE1-CA 3.3Å; Q188-D209 VanDerWaalsContact OE1-N 3.15Å; Q188-Y363 VanDerWaalsContact OE1-CE1 3.27Å
189F97Very high96.9Very high5 Ų541.4 Ų41.42%0.02222%0.217CC..  trans-50.5142.7-176.761.8-93.4000112.7L148 R164 S207 G208 A246 F359 L362 Y363L148-F189 HydrophobicContact CD1-CB 3.69Å; L148-F189 HydrophobicContact CD1-CD2 3.89Å; L148-F189 HydrophobicContact CD1-CG 4.15Å; R164-F189 HydrophobicContact CB-CB 4.43Å; R164-F189 HydrophobicContact CG-CB 4.14Å; R164-F189 WeakPolarHBondContact O-CA 3.38Å; R164-F189 WeakPolarHBondContact O-CB 3.36Å; F189-S207 CarbonylContact O-C 3.57Å; F189-S207 VanDerWaalsContact O-CA 3.25Å; F189-S207 WeakPolarHBondContact O-CA 3.37Å; F189-S207 WeakPolarHBondContact O-CB 3.43Å; F189-S207 PolarHBondContact O-OG 2.96Å; F189-G208 PolarHBondContact O-N 2.83Å; F189-A246 HydrophobicContact CE2-CB 4.2Å; F189-A246 HydrophobicContact CZ-CB 3.89Å; F189-F359 HydrophobicContact CE1-CB 4.34Å; F189-F359 HydrophobicContact CE2-CB 3.83Å; F189-F359 AromaticContact CE2-CD1 3.96Å; F189-F359 HydrophobicContact CE2-CD1 3.96Å; F189-F359 HydrophobicContact CE2-CD2 4.21Å; F189-F359 AromaticContact CE2-CG 3.74Å; F189-F359 HydrophobicContact CE2-CG 3.74Å; F189-F359 HydrophobicContact CZ-CB 3.43Å; F189-F359 VanDerWaalsContact CZ-CB 3.43Å; F189-F359 HydrophobicContact CZ-CD1 4.45Å; F189-F359 HydrophobicContact CZ-CD2 4.38Å; F189-F359 AromaticContact CZ-CG 3.87Å; F189-F359 HydrophobicContact CZ-CG 3.87Å; F189-L362 HydrophobicContact CD1-CB 3.68Å; F189-L362 HydrophobicContact CD2-CB 4.44Å; F189-L362 HydrophobicContact CD2-CD1 3.88Å; F189-L362 HydrophobicContact CE1-CB 3.76Å; F189-L362 HydrophobicContact CE2-CD1 4.02Å; F189-L362 HydrophobicContact CG-CB 4.06Å; F189-L362 HydrophobicContact CG-CD1 4.19Å; F189-L362 HydrophobicContact CZ-CB 4.22Å; F189-L362 HydrophobicContact CZ-CD1 4.45Å; F189-Y363 HydrophobicContact CE1-CD1 4.03Å; F189-Y363 HydrophobicContact CE1-CD2 4.11Å; F189-Y363 AromaticContact CE1-CE1 3.92Å; F189-Y363 HydrophobicContact CE1-CE1 3.92Å; F189-Y363 HydrophobicContact CE1-CE2 4Å; F189-Y363 HydrophobicContact CE1-CG 4.13Å; F189-Y363 AromaticContact CE1-CZ 3.91Å; F189-Y363 HydrophobicContact CZ-CE1 4.46Å; F189-Y363 HydrophobicContact CZ-CE2 4.13Å
190V98.4Very high96.7Very high0 Ų040.7 Ų40.70%022%0.217CC..EExtended strand (participates in β ladder)trans-98.3112.9177.5179.20000108.6L148 A162 D163 I168 H186 L193 G206L148-V190 VanDerWaalsContact CB-O 3.29Å; L148-V190 WeakPolarHBondContact CB-O 3.32Å; A162-V190 HydrophobicContact CB-CB 3.8Å; A162-V190 HydrophobicContact CB-CG1 3.56Å; D163-V190 PolarHBondContact O-N 2.99Å; I168-V190 HydrophobicContact CD1-CG1 4.05Å; I168-V190 HydrophobicContact CD1-CG2 4.36Å; I168-V190 HydrophobicContact CG1-CB 4.37Å; I168-V190 HydrophobicContact CG1-CG1 3.96Å; I168-V190 HydrophobicContact CG1-CG2 4.12Å; H186-V190 HydrophobicContact CB-CG2 3.89Å; H186-V190 VanDerWaalsContact CD2-CG2 3.48Å; H186-V190 WeakPolarHBondContact CD2-CG2 3.48Å; V190-L193 HydrophobicContact CG1-CD2 4.1Å; V190-G206 CarbonylContact C-O 3.51Å; V190-G206 WeakPolarHBondContact CA-O 3.49Å; V190-G206 WeakPolarHBondContact CG1-O 3.38Å
191S97.1Very high96.5Very high12 Ų1241.9 Ų41.98%0.08422%0.222CC..EExtended strand (participates in β ladder)trans-93.1-26.3-167.346.80000114.2G206 V247S191-G206 PolarHBondContact N-O 3.41Å; S191-G206 PolarHBondContact OG-O 3.31Å; S191-V247 WeakPolarHBondContact CB-O 3.38Å; S191-V247 PolarHBondContact OG-O 2.53Å
192T97.8Very high96.5Very high18 Ų1842.5 Ų42.511%0.1122%0.222CC..EExtended strand (participates in β ladder)trans-150.3146.2-174.5-174.40000111.2S205 G206 V247 I250T192-S205 WeakPolarHBondContact O-CA 3.36Å; T192-G206 PolarHBondContact O-N 2.81Å; T192-V247 HydrophobicContact CG2-CG1 3.95Å; T192-I250 HydrophobicContact CG2-CB 4.35Å; T192-I250 HydrophobicContact CG2-CD1 3.97Å; T192-I250 HydrophobicContact CG2-CG1 3.76Å
193L98.7Very high96.5Very high15 Ų1538.2 Ų38.28%0.07921%0.206CC..EExtended strand (participates in β ladder)trans-132137.1178.8-67.9-178.9000108.6A149 T151 I160 A162 I168 V190 L203 L204A149-L193 HydrophobicContact CB-CB 4.25Å; A149-L193 HydrophobicContact CB-CD1 4.21Å; A149-L193 HydrophobicContact CB-CG 3.94Å; T151-L193 HydrophobicContact CG2-CB 4.04Å; T151-L193 HydrophobicContact CG2-CD1 4.24Å; I160-L193 HydrophobicContact CB-CD1 4.48Å; I160-L193 HydrophobicContact CG2-CD1 3.86Å; A162-L193 HydrophobicContact CB-CD1 3.71Å; A162-L193 HydrophobicContact CB-CD2 4.11Å; A162-L193 HydrophobicContact CB-CG 3.85Å; I168-L193 HydrophobicContact CD1-CD2 4.13Å; I168-L193 HydrophobicContact CG1-CD2 4.27Å; I168-L193 HydrophobicContact CG2-CD2 4.41Å; V190-L193 HydrophobicContact CG1-CD2 4.1Å; L193-L203 HydrophobicContact CB-CD1 4.21Å; L193-L203 HydrophobicContact CD2-CD1 4.23Å; L193-L203 HydrophobicContact CD2-CD2 4.08Å; L193-L203 HydrophobicContact CD2-CG 4.32Å; L193-L204 WeakPolarHBondContact CA-O 3.16Å
194E97.8Very high96.5Very high48 Ų4838.2 Ų38.222%0.22421%0.206CC..EExtended strand (participates in β ladder)trans-141.9130.6178.9174.17216600109.9L204 I250 S252E194-L204 HydrophobicContact CB-CB 4.29Å; E194-L204 PolarHBondContact N-O 3.08Å; E194-L204 PolarHBondContact O-N 2.75Å; E194-I250 HydrophobicContact CB-CB 4.09Å; E194-I250 HydrophobicContact CB-CG2 3.83Å; E194-I250 HydrophobicContact CG-CG2 4.09Å; E194-S252 VanDerWaalsContact CG-OG 3.31Å; E194-S252 WeakPolarHBondContact CG-OG 3.15Å; E194-S252 WeakPolarHBondContact OE1-CB 3.44Å; E194-S252 PolarHBondContact OE1-N 3.28Å; E194-S252 PolarHBondContact OE1-OG 3.43Å
195I97.3Very high96.5Very high21 Ų2132.7 Ų32.711%0.10818%0.176CC..  trans-102.9111172.3-62.3179.3000107.7T151 I152 I160 T197 L203 F217T151-I195 HydrophobicContact CG2-CD1 4.07Å; T151-I195 HydrophobicContact CG2-CG1 4.19Å; I152-I195 WeakPolarHBondContact O-CD1 3.42Å; I160-I195 HydrophobicContact CD1-CD1 4.01Å; I195-T197 PolarHBondContact O-N 3.44Å; I195-L203 HydrophobicContact CG1-CD1 3.88Å; I195-F217 HydrophobicContact CD1-CE1 4.48Å
196P94.8Very high96.5Very high0 Ų031.4 Ų31.40%016%0.164CC..  trans-68128.917827.9-34000110.6S198 H199 W202 L274P196-S198 PolarHBondContact O-N 3.5Å; P196-H199 HydrophobicContact CG-CB 4.18Å; P196-H199 CarbonylContact O-C 3.58Å; P196-H199 VanDerWaalsContact O-C 3.3Å; P196-H199 PolarHBondContact O-N 3.35Å; P196-W202 HydrophobicContact CG-CB 4.4Å; P196-L274 HydrophobicContact CB-CD1 3.42Å; P196-L274 VanDerWaalsContact CB-CD1 3.42Å; P196-L274 HydrophobicContact CG-CD1 3.67Å
197T91.9Very high96.5Very high96 Ų9631.1 Ų31.159%0.58916%0.162SC*.THydrogen-bonded Turntrans-57.2-27.4-177.654.50000113.9I195 P254 G256I195-T197 PolarHBondContact O-N 3.44Å; T197-P254 PolarHBondContact OG1-O 3.4Å; T197-G256 WeakPolarHBondContact OG1-CA 3.31Å; T197-G256 PolarHBondContact OG1-N 2.99Å
198S91.6Very high96.5Very high36 Ų3624.3 Ų24.325%0.25213%0.131SC..THydrogen-bonded Turntrans-75.4-21.417859.80000114.2P196 G255 G256P196-S198 PolarHBondContact O-N 3.5Å; S198-G255 WeakPolarHBondContact CB-O 2.87Å; S198-G256 WeakPolarHBondContact OG-CA 3.43Å; S198-G256 PolarHBondContact OG-O 3.32Å
199H93.7Very high96.4Very high19 Ų1921.9 Ų21.99%0.08812%0.12CC..  trans-138.176.4-175.4-59.486.1000109.9P196 H201 W202 R276P196-H199 HydrophobicContact CG-CB 4.18Å; P196-H199 CarbonylContact O-C 3.58Å; P196-H199 VanDerWaalsContact O-C 3.3Å; P196-H199 PolarHBondContact O-N 3.35Å; H199-H201 PolarHBondContact O-N 3.09Å; H199-W202 HydrophobicContact CB-CB 3.96Å; H199-W202 HydrophobicContact CB-CD2 3.69Å; H199-W202 HydrophobicContact CB-CE3 3.63Å; H199-W202 HydrophobicContact CB-CG 3.86Å; H199-W202 HydrophobicContact CB-CZ3 4.32Å; H199-W202 AromaticContact CD2-CE3 3.73Å; H199-W202 AromaticContact CD2-CH2 3.61Å; H199-W202 AromaticContact CD2-CZ2 3.93Å; H199-W202 AromaticContact CD2-CZ3 3.52Å; H199-W202 AromaticContact CG-CD2 3.97Å; H199-W202 AromaticContact CG-CE3 3.55Å; H199-W202 AromaticContact CG-CZ3 3.73Å; H199-W202 AromaticContact NE2-CH2 3.88Å; H199-W202 AromaticContact NE2-CZ3 3.8Å; H199-W202 WeakPolarHBondContact O-CB 3.41Å; H199-W202 PolarHBondContact O-N 3.08Å; H199-R276 VanDerWaalsContact NE2-CA 3.29Å; H199-R276 WeakPolarHBondContact NE2-CA 3.29Å; H199-R276 WeakPolarHBondContact NE2-CB 3.44Å; H199-R276 WeakPolarHBondContact NE2-CG 3.28Å
200P93.9Very high96.3Very high50 Ų5021.7 Ų21.733%0.32512%0.119SC..THydrogen-bonded Turntrans-66.9-12.1-169.826.5-36.3000115.2A154 F217A154-P200 HydrophobicContact CB-CB 3.68Å; P200-F217 VanDerWaalsContact O-CE1 3.25Å; P200-F217 WeakPolarHBondContact O-CE1 3.24Å; P200-F217 WeakPolarHBondContact O-CZ 3.42Å
201H95.4Very high96.2Very high97 Ų9722.4 Ų22.445%0.44912%0.123SC..THydrogen-bonded Turntrans-960.3174.7-55.7-72.2000113H199 F217 E218H199-H201 PolarHBondContact O-N 3.09Å; H201-F217 VanDerWaalsContact C-CD1 3.5Å; H201-F217 VanDerWaalsContact CA-CE1 3.49Å; H201-F217 VanDerWaalsContact O-CD1 3.23Å; H201-F217 WeakPolarHBondContact O-CD1 3.45Å; H201-F217 WeakPolarHBondContact O-CE1 3.02Å; H201-F217 PolarHBondContact O-N 3.24Å; H201-E218 IonicContact CE1-OE1 3.44Å; H201-E218 IonicContact CG-OE1 3.67Å; H201-E218 IonicContact ND1-OE1 3.01Å; H201-E218 PolarHBondContact ND1-OE1 3.39Å
202W97.3Very high96.3Very high26 Ų2621.9 Ų21.910%0.09812%0.12CC..EExtended strand (participates in β ladder)trans-102.3153.2178.1-67.70000111.3P196 H199 L214 W215 L223 L274 E275 K281P196-W202 HydrophobicContact CG-CB 4.4Å; H199-W202 HydrophobicContact CB-CB 3.96Å; H199-W202 HydrophobicContact CB-CD2 3.69Å; H199-W202 HydrophobicContact CB-CE3 3.63Å; H199-W202 HydrophobicContact CB-CG 3.86Å; H199-W202 HydrophobicContact CB-CZ3 4.32Å; H199-W202 AromaticContact CD2-CE3 3.73Å; H199-W202 AromaticContact CD2-CH2 3.61Å; H199-W202 AromaticContact CD2-CZ2 3.93Å; H199-W202 AromaticContact CD2-CZ3 3.52Å; H199-W202 AromaticContact CG-CD2 3.97Å; H199-W202 AromaticContact CG-CE3 3.55Å; H199-W202 AromaticContact CG-CZ3 3.73Å; H199-W202 AromaticContact NE2-CH2 3.88Å; H199-W202 AromaticContact NE2-CZ3 3.8Å; H199-W202 WeakPolarHBondContact O-CB 3.41Å; H199-W202 PolarHBondContact O-N 3.08Å; W202-L214 HydrophobicContact CB-CD1 4.02Å; W202-L214 HydrophobicContact CD2-CD1 4.31Å; W202-L214 HydrophobicContact CD2-CD2 4.42Å; W202-L214 HydrophobicContact CE3-CD1 3.96Å; W202-L214 HydrophobicContact CE3-CD2 3.93Å; W202-L214 HydrophobicContact CE3-CG 4.44Å; W202-L214 HydrophobicContact CG-CD1 4.37Å; W202-L214 HydrophobicContact CZ3-CD2 4.12Å; W202-W215 CarbonylContact C-O 3.51Å; W202-W215 WeakPolarHBondContact CA-O 3.37Å; W202-L223 HydrophobicContact CD2-CD1 4.17Å; W202-L223 HydrophobicContact CG-CD1 4.24Å; W202-L223 HydrophobicContact CZ2-CD1 4.38Å; W202-L274 HydrophobicContact CE3-CD2 4.13Å; W202-L274 HydrophobicContact CZ3-CD2 4.1Å; W202-E275 WeakPolarHBondContact CH2-O 3.48Å; W202-K281 HydrophobicContact CH2-CB 3.64Å; W202-K281 HydrophobicContact CH2-CD 3.57Å; W202-K281 HydrophobicContact CH2-CG 3.53Å; W202-K281 HydrophobicContact CZ2-CB 4.47Å; W202-K281 HydrophobicContact CZ2-CD 3.57Å; W202-K281 HydrophobicContact CZ2-CG 4.07Å; W202-K281 HydrophobicContact CZ3-CB 3.78Å; W202-K281 HydrophobicContact CZ3-CD 4.37Å; W202-K281 HydrophobicContact CZ3-CG 4.21Å
203L98.6Very high96.3Very high0 Ų021.4 Ų21.40%012%0.116CC..EExtended strand (participates in β ladder)trans-133.3131.3176.5179.472.2000108.6T151 I160 I168 L193 I195 L214 W215 F217T151-L203 HydrophobicContact CG2-CD1 4.24Å; I160-L203 HydrophobicContact CD1-CD1 4.21Å; I160-L203 HydrophobicContact CD1-CD2 4.4Å; I160-L203 HydrophobicContact CG2-CD1 4.44Å; I160-L203 HydrophobicContact CG2-CD2 3.76Å; I168-L203 HydrophobicContact CG2-CD2 3.76Å; L193-L203 HydrophobicContact CB-CD1 4.21Å; L193-L203 HydrophobicContact CD2-CD1 4.23Å; L193-L203 HydrophobicContact CD2-CD2 4.08Å; L193-L203 HydrophobicContact CD2-CG 4.32Å; I195-L203 HydrophobicContact CG1-CD1 3.88Å; L203-L214 CarbonylContact O-C 3.58Å; L203-L214 WeakPolarHBondContact O-CA 3.36Å; L203-W215 HydrophobicContact CB-CB 4.35Å; L203-W215 PolarHBondContact N-O 3.19Å; L203-W215 VanDerWaalsContact O-CD1 3.3Å; L203-W215 PolarHBondContact O-N 2.82Å; L203-F217 HydrophobicContact CB-CB 3.96Å; L203-F217 HydrophobicContact CB-CD1 3.91Å; L203-F217 HydrophobicContact CB-CG 4.37Å; L203-F217 HydrophobicContact CD2-CB 4.19Å
204L98.7Very high96.3Very high0 Ų020.7 Ų20.70%011%0.112CC..EExtended strand (participates in β ladder)trans-96136.9164.5-69.3165.6000108.8L193 E194 V212 K213 L214 I250 V259 L274 L282L193-L204 WeakPolarHBondContact CA-O 3.16Å; E194-L204 HydrophobicContact CB-CB 4.29Å; E194-L204 PolarHBondContact N-O 3.08Å; E194-L204 PolarHBondContact O-N 2.75Å; L204-V212 HydrophobicContact CD2-CG1 4.27Å; L204-K213 WeakPolarHBondContact CA-O 3.22Å; L204-L214 HydrophobicContact CD2-CB 4.25Å; L204-L214 HydrophobicContact CD2-CD1 3.72Å; L204-L214 HydrophobicContact CG-CD1 4.14Å; L204-I250 HydrophobicContact CB-CD1 4.22Å; L204-I250 HydrophobicContact CB-CG2 4.15Å; L204-I250 HydrophobicContact CD1-CG2 3.95Å; L204-V259 HydrophobicContact CD1-CB 4.47Å; L204-V259 HydrophobicContact CD1-CG1 3.78Å; L204-V259 HydrophobicContact CD1-CG2 3.83Å; L204-L274 HydrophobicContact CD1-CD1 4.29Å; L204-L282 HydrophobicContact CD2-CD1 4.23Å; L204-L282 HydrophobicContact CD2-CD2 3.74Å
205S98.8Very high96.4Very high0 Ų018.4 Ų18.40%010%0.102CC..EExtended strand (participates in β ladder)trans-131.2139.617363.90000111.4I168 H186 T192 V212 K213 W215I168-S205 VanDerWaalsContact CD1-CB 3.5Å; H186-S205 PolarHBondContact NE2-OG 2.75Å; T192-S205 WeakPolarHBondContact O-CA 3.36Å; S205-V212 WeakPolarHBondContact O-CA 3.35Å; S205-K213 PolarHBondContact N-O 3.07Å; S205-K213 PolarHBondContact O-N 3.2Å; S205-W215 PolarHBondContact OG-NE1 3.47Å
206G98.4Very high96.4Very high0 Ų019.9 Ų19.90%011%0.108CC..EExtended strand (participates in β ladder)trans-111.2147.7172.700000111V190 S191 T192V190-G206 CarbonylContact C-O 3.51Å; V190-G206 WeakPolarHBondContact CA-O 3.49Å; V190-G206 WeakPolarHBondContact CG1-O 3.38Å; S191-G206 PolarHBondContact N-O 3.41Å; S191-G206 PolarHBondContact OG-O 3.31Å; T192-G206 PolarHBondContact O-N 2.81Å
207S97.9Very high96.6Very high0 Ų020 Ų200%011%0.109CC..EExtended strand (participates in β ladder)trans-139160.6-173.9169.30000113.4H186 Q188 F189 D209 G210 T211 V247H186-S207 WeakPolarHBondContact CE1-CB 3.19Å; H186-S207 WeakPolarHBondContact ND1-CB 3.28Å; H186-S207 PolarHBondContact ND1-OG 2.8Å; Q188-S207 PolarHBondContact O-OG 2.79Å; F189-S207 CarbonylContact O-C 3.57Å; F189-S207 VanDerWaalsContact O-CA 3.25Å; F189-S207 WeakPolarHBondContact O-CA 3.37Å; F189-S207 WeakPolarHBondContact O-CB 3.43Å; F189-S207 PolarHBondContact O-OG 2.96Å; S207-D209 VanDerWaalsContact CB-OD1 3.23Å; S207-D209 WeakPolarHBondContact CB-OD1 3.43Å; S207-D209 PolarHBondContact O-N 3.43Å; S207-D209 PolarHBondContact OG-N 2.67Å; S207-D209 VanDerWaalsContact OG-N 3.09Å; S207-D209 PolarHBondContact OG-OD1 3.08Å; S207-D209 PolarHBondContact OG-OD2 2.83Å; S207-G210 PolarHBondContact O-N 3.32Å; S207-T211 PolarHBondContact N-O 3.25Å; S207-V247 PolarHBondContact O-N 3.04Å
208G95.6Very high96.9Very high0 Ų018 Ų180%09%0.093CC..THydrogen-bonded Turntrans-56.5-23.8167.100000113.8Q188 F189 G210 Y363Q188-G208 PolarHBondContact OE1-O 3Å; F189-G208 PolarHBondContact O-N 2.83Å; G208-G210 PolarHBondContact O-N 3.4Å; G208-G210 VanDerWaalsContact O-N 3.16Å; G208-Y363 PolarHBondContact O-OH 3.36Å
209D94.6Very high97.2Very high17 Ų1719.3 Ų19.39%0.09110%0.102CC..THydrogen-bonded Turntrans-73.71.4178.86622.5000113.7H186 H187 Q188 S207 T211 N244H186-D209 WeakPolarHBondContact CA-OD2 3.39Å; H186-D209 IonicContact CG-OD2 3.02Å; H186-D209 IonicContact ND1-OD1 3.79Å; H186-D209 PolarHBondContact ND1-OD1 3.49Å; H186-D209 IonicContact ND1-OD2 2.73Å; H186-D209 PolarHBondContact ND1-OD2 2.98Å; H187-D209 HydrophobicContact CB-CB 4.46Å; H187-D209 PolarHBondContact N-OD2 2.85Å; Q188-D209 HydrophobicContact CB-CB 4.1Å; Q188-D209 HydrophobicContact CG-CB 4.21Å; Q188-D209 VanDerWaalsContact OE1-CA 3.3Å; Q188-D209 VanDerWaalsContact OE1-N 3.15Å; S207-D209 VanDerWaalsContact CB-OD1 3.23Å; S207-D209 WeakPolarHBondContact CB-OD1 3.43Å; S207-D209 PolarHBondContact O-N 3.43Å; S207-D209 PolarHBondContact OG-N 2.67Å; S207-D209 VanDerWaalsContact OG-N 3.09Å; S207-D209 PolarHBondContact OG-OD1 3.08Å; S207-D209 PolarHBondContact OG-OD2 2.83Å; D209-T211 PolarHBondContact O-N 3.28Å; D209-T211 WeakPolarHBondContact OD1-CA 3.38Å; D209-T211 VanDerWaalsContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CB 3.12Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.47Å; D209-T211 PolarHBondContact OD1-N 3.4Å; D209-T211 PolarHBondContact OD1-OG1 3.45Å; D209-T211 PolarHBondContact OD2-OG1 3.47Å; D209-N244 PolarHBondContact O-ND2 2.98Å; D209-N244 VanDerWaalsContact O-ND2 3.17Å
210G94.3Very high97.4Very high1 Ų119 Ų191%0.0110%0.104CC..SBendtrans73.112.5-178.400000114.7S207 G208 L228 A245S207-G210 PolarHBondContact O-N 3.32Å; G208-G210 PolarHBondContact O-N 3.4Å; G208-G210 VanDerWaalsContact O-N 3.16Å; G210-L228 WeakPolarHBondContact O-CB 3.31Å; G210-L228 WeakPolarHBondContact O-CG 3.38Å; G210-L228 PolarHBondContact O-N 3.01Å; G210-A245 WeakPolarHBondContact CA-O 3.32Å
211T97.2Very high97.6Very high14 Ų1422.7 Ų22.79%0.08611%0.112CC..EExtended strand (participates in β ladder)trans-105.2145.2179.274.10000112.6H186 S207 D209 K213 W226 D227H186-T211 PolarHBondContact CE1-OG1 2.84Å; H186-T211 PolarHBondContact ND1-OG1 2.99Å; S207-T211 PolarHBondContact N-O 3.25Å; D209-T211 PolarHBondContact O-N 3.28Å; D209-T211 WeakPolarHBondContact OD1-CA 3.38Å; D209-T211 VanDerWaalsContact OD1-CB 3.26Å; D209-T211 WeakPolarHBondContact OD1-CB 3.12Å; D209-T211 WeakPolarHBondContact OD1-CG2 3.47Å; D209-T211 PolarHBondContact OD1-N 3.4Å; D209-T211 PolarHBondContact OD1-OG1 3.45Å; D209-T211 PolarHBondContact OD2-OG1 3.47Å; T211-K213 WeakPolarHBondContact OG1-CE 3.48Å; T211-K213 PolarHBondContact OG1-NZ 2.64Å; T211-W226 CarbonylContact C-O 3.58Å; T211-W226 WeakPolarHBondContact CA-O 3.3Å; T211-W226 VanDerWaalsContact CB-O 3.22Å; T211-W226 WeakPolarHBondContact CB-O 3.44Å; T211-D227 HydrophobicContact CG2-CB 4.37Å
212V98.2Very high97.7Very high1 Ų123 Ų231%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-103.9129.7163.7178.50000107.9L204 S205 S225 W226 L228 V247 I250 V261 L282L204-V212 HydrophobicContact CD2-CG1 4.27Å; S205-V212 WeakPolarHBondContact O-CA 3.35Å; V212-S225 CarbonylContact O-C 3.54Å; V212-S225 WeakPolarHBondContact O-CA 3.42Å; V212-W226 PolarHBondContact N-O 3.46Å; V212-W226 PolarHBondContact O-N 2.82Å; V212-L228 HydrophobicContact CG2-CD1 4.02Å; V212-L228 HydrophobicContact CG2-CD2 4.44Å; V212-L228 HydrophobicContact CG2-CG 4.4Å; V212-V247 HydrophobicContact CG2-CG1 4.46Å; V212-V247 HydrophobicContact CG2-CG2 3.94Å; V212-I250 HydrophobicContact CG1-CD1 4.01Å; V212-I250 HydrophobicContact CG2-CD1 4.39Å; V212-V261 HydrophobicContact CG2-CG1 3.73Å; V212-V261 HydrophobicContact CG2-CG2 4.17Å; V212-L282 HydrophobicContact CG1-CD2 4.12Å
213K98.6Very high97.7Very high8 Ų823.7 Ų23.74%0.03512%0.117CC..EExtended strand (participates in β ladder)trans-120.9142.5177.8-64.6-179.6-158.9-64.80110.7G185 H186 L204 S205 T211 W215 K222 Q224 S225G185-K213 VanDerWaalsContact O-CE 3.22Å; G185-K213 WeakPolarHBondContact O-CE 3.41Å; H186-K213 VanDerWaalsContact CE1-CE 3.45Å; H186-K213 WeakPolarHBondContact CE1-CE 3.46Å; H186-K213 WeakPolarHBondContact ND1-CE 3.42Å; L204-K213 WeakPolarHBondContact CA-O 3.22Å; S205-K213 PolarHBondContact N-O 3.07Å; S205-K213 PolarHBondContact O-N 3.2Å; T211-K213 WeakPolarHBondContact OG1-CE 3.48Å; T211-K213 PolarHBondContact OG1-NZ 2.64Å; K213-W215 HydrophobicContact CB-CZ2 3.66Å; K213-W215 HydrophobicContact CD-CH2 3.96Å; K213-W215 HydrophobicContact CD-CZ2 3.5Å; K213-W215 VanDerWaalsContact CD-CZ2 3.5Å; K213-W215 HydrophobicContact CG-CZ2 4.2Å; K213-K222 HydrophobicContact CD-CD 4Å; K213-K222 HydrophobicContact CG-CD 4.48Å; K213-Q224 WeakPolarHBondContact CA-O 3.41Å; K213-S225 PolarHBondContact NZ-OG 2.79Å
214L98.6Very high97.6Very high0 Ų025.2 Ų25.20%012%0.124CC..EExtended strand (participates in β ladder)trans-107.4134173.7-179.970.2000108.7W202 L203 L204 L223 Q224 L274 K281 L282W202-L214 HydrophobicContact CB-CD1 4.02Å; W202-L214 HydrophobicContact CD2-CD1 4.31Å; W202-L214 HydrophobicContact CD2-CD2 4.42Å; W202-L214 HydrophobicContact CE3-CD1 3.96Å; W202-L214 HydrophobicContact CE3-CD2 3.93Å; W202-L214 HydrophobicContact CE3-CG 4.44Å; W202-L214 HydrophobicContact CG-CD1 4.37Å; W202-L214 HydrophobicContact CZ3-CD2 4.12Å; L203-L214 CarbonylContact O-C 3.58Å; L203-L214 WeakPolarHBondContact O-CA 3.36Å; L204-L214 HydrophobicContact CD2-CB 4.25Å; L204-L214 HydrophobicContact CD2-CD1 3.72Å; L204-L214 HydrophobicContact CG-CD1 4.14Å; L214-L223 HydrophobicContact CB-CB 4.45Å; L214-L223 HydrophobicContact CD2-CB 4.11Å; L214-L223 HydrophobicContact CD2-CD1 4.17Å; L214-L223 HydrophobicContact CG-CB 4.14Å; L214-L223 HydrophobicContact CG-CD1 4.16Å; L214-L223 PolarHBondContact O-N 3.24Å; L214-Q224 HydrophobicContact CB-CB 4.34Å; L214-Q224 PolarHBondContact N-O 2.92Å; L214-Q224 PolarHBondContact O-N 2.81Å; L214-L274 HydrophobicContact CD1-CD2 4.25Å; L214-L274 HydrophobicContact CD2-CD2 4.38Å; L214-K281 HydrophobicContact CD2-CB 3.56Å; L214-K281 HydrophobicContact CD2-CD 4.44Å; L214-L282 HydrophobicContact CD2-CB 4.2Å
215W98.6Very high97.5Very high1 Ų127.8 Ų27.80%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-129.8149.7-176.1-46.588.2000111.6I168 C183 L184 W202 L203 S205 K213 R221 K222I168-W215 HydrophobicContact CD1-CZ2 4.33Å; C183-W215 HydrophobicContact CB-CD2 3.56Å; C183-W215 HydrophobicContact CB-CE3 3.48Å; C183-W215 VanDerWaalsContact CB-CE3 3.48Å; C183-W215 HydrophobicContact CB-CG 4.02Å; C183-W215 HydrophobicContact CB-CH2 4.17Å; C183-W215 HydrophobicContact CB-CZ2 4.22Å; C183-W215 HydrophobicContact CB-CZ3 3.8Å; L184-W215 WeakPolarHBondContact O-CH2 3.44Å; L184-W215 WeakPolarHBondContact O-CZ3 3.26Å; W202-W215 CarbonylContact C-O 3.51Å; W202-W215 WeakPolarHBondContact CA-O 3.37Å; L203-W215 HydrophobicContact CB-CB 4.35Å; L203-W215 PolarHBondContact N-O 3.19Å; L203-W215 VanDerWaalsContact O-CD1 3.3Å; L203-W215 PolarHBondContact O-N 2.82Å; S205-W215 PolarHBondContact OG-NE1 3.47Å; K213-W215 HydrophobicContact CB-CZ2 3.66Å; K213-W215 HydrophobicContact CD-CH2 3.96Å; K213-W215 HydrophobicContact CD-CZ2 3.5Å; K213-W215 VanDerWaalsContact CD-CZ2 3.5Å; K213-W215 HydrophobicContact CG-CZ2 4.2Å; W215-R221 WeakPolarHBondContact CA-O 3.49Å; W215-K222 HydrophobicContact CD2-CB 4.46Å; W215-K222 HydrophobicContact CD2-CG 4.46Å; W215-K222 VanDerWaalsContact CE3-CA 3.41Å; W215-K222 HydrophobicContact CE3-CB 3.59Å; W215-K222 HydrophobicContact CE3-CG 4.01Å; W215-K222 HydrophobicContact CH2-CB 4.25Å; W215-K222 HydrophobicContact CH2-CD 4.17Å; W215-K222 HydrophobicContact CH2-CG 4.19Å; W215-K222 HydrophobicContact CZ3-CB 3.47Å; W215-K222 VanDerWaalsContact CZ3-CB 3.47Å; W215-K222 HydrophobicContact CZ3-CD 4.23Å; W215-K222 HydrophobicContact CZ3-CG 3.86Å
216E97.9Very high97.4Very high52 Ų5230.7 Ų30.724%0.24315%0.153CC..EExtended strand (participates in β ladder)trans-88.598.9151.6-179.9-176.4-92.200106.3E218 S219 G220 R221 L223E216-E218 PolarHBondContact O-N 2.83Å; E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 PolarHBondContact O-OG 3.41Å; E216-S219 WeakPolarHBondContact OE2-CB 3.42Å; E216-S219 PolarHBondContact OE2-OG 2.86Å; E216-G220 PolarHBondContact O-N 2.9Å; E216-R221 PolarHBondContact N-O 3.41Å; E216-R221 PolarHBondContact O-N 2.9Å; E216-R221 IonicContact OE1-CZ 2.78Å; E216-R221 IonicContact OE1-NH1 2.79Å; E216-R221 IonicContact OE1-NH2 3.77Å; E216-R221 PolarHBondContact OE1-NH2 3.39Å; E216-R221 IonicContact OE2-CZ 3.82Å; E216-R221 IonicContact OE2-NH1 2.9Å; E216-R221 PolarHBondContact OE2-NH1 2.98Å; E216-R221 IonicContact OE2-NH2 3.19Å; E216-R221 PolarHBondContact OE2-NH2 2.76Å; E216-L223 HydrophobicContact CB-CD1 4.27Å; E216-L223 HydrophobicContact CB-CD2 4.24Å; E216-L223 HydrophobicContact CB-CG 4.37Å
217F98.4Very high97.3Very high1 Ų132.9 Ų32.90%0.00417%0.165CC..THydrogen-bonded Turntrans-70.2-32.4-164.163.8-103.1000112.5Y158 I160 V170 S181 I195 P200 H201 L203 S219 G220Y158-F217 AromaticContact CD2-CE2 3.83Å; Y158-F217 HydrophobicContact CD2-CE2 3.83Å; Y158-F217 HydrophobicContact CE2-CE2 4.36Å; Y158-F217 HydrophobicContact CG-CE2 4.36Å; I160-F217 HydrophobicContact CD1-CB 4.18Å; I160-F217 HydrophobicContact CD1-CD1 3.97Å; I160-F217 HydrophobicContact CD1-CD2 3.7Å; I160-F217 HydrophobicContact CD1-CE1 4.26Å; I160-F217 HydrophobicContact CD1-CE2 4.06Å; I160-F217 HydrophobicContact CD1-CG 3.68Å; I160-F217 HydrophobicContact CD1-CZ 4.32Å; V170-F217 HydrophobicContact CG1-CD2 3.96Å; V170-F217 HydrophobicContact CG2-CB 4.01Å; V170-F217 HydrophobicContact CG2-CD2 4.28Å; S181-F217 PolarHBondContact OG-O 2.89Å; I195-F217 HydrophobicContact CD1-CE1 4.48Å; P200-F217 VanDerWaalsContact O-CE1 3.25Å; P200-F217 WeakPolarHBondContact O-CE1 3.24Å; P200-F217 WeakPolarHBondContact O-CZ 3.42Å; H201-F217 VanDerWaalsContact C-CD1 3.5Å; H201-F217 VanDerWaalsContact CA-CE1 3.49Å; H201-F217 VanDerWaalsContact O-CD1 3.23Å; H201-F217 WeakPolarHBondContact O-CD1 3.45Å; H201-F217 WeakPolarHBondContact O-CE1 3.02Å; H201-F217 PolarHBondContact O-N 3.24Å; L203-F217 HydrophobicContact CB-CB 3.96Å; L203-F217 HydrophobicContact CB-CD1 3.91Å; L203-F217 HydrophobicContact CB-CG 4.37Å; L203-F217 HydrophobicContact CD2-CB 4.19Å; F217-S219 PolarHBondContact O-N 3.27Å; F217-G220 PolarHBondContact O-N 2.92Å; F217-G220 VanDerWaalsContact O-N 3.11Å
218E98.3Very high97Very high56 Ų5633 Ų3326%0.26217%0.165SC..THydrogen-bonded Turntrans-61.9-31.7-179.7-65.6178.8-164.700113.4Y158 Q180 H201 E216Y158-E218 HydrophobicContact CE2-CG 3.95Å; Q180-E218 WeakPolarHBondContact CG-O 3.17Å; Q180-E218 PolarHBondContact NE2-O 2.99Å; H201-E218 IonicContact CE1-OE1 3.44Å; H201-E218 IonicContact CG-OE1 3.67Å; H201-E218 IonicContact ND1-OE1 3.01Å; H201-E218 PolarHBondContact ND1-OE1 3.39Å; E216-E218 PolarHBondContact O-N 2.83Å
219S98.1Very high96.6Very high62 Ų6233.5 Ų33.543%0.43417%0.17SC..THydrogen-bonded Turntrans-97.5-12.8176.169.80000113.2E216 F217 R221E216-S219 PolarHBondContact O-N 3.11Å; E216-S219 PolarHBondContact O-OG 3.41Å; E216-S219 WeakPolarHBondContact OE2-CB 3.42Å; E216-S219 PolarHBondContact OE2-OG 2.86Å; F217-S219 PolarHBondContact O-N 3.27Å; S219-R221 PolarHBondContact O-N 2.81Å; S219-R221 VanDerWaalsContact OG-CB 3.26Å; S219-R221 WeakPolarHBondContact OG-CB 3.34Å; S219-R221 PolarHBondContact OG-N 2.98Å
220G98.2Very high96.2Very high14 Ų1439.1 Ų39.114%0.14420%0.196CC..THydrogen-bonded Turntrans71.98.2-171.300000113.7Y182 E216 F217 K222Y182-G220 WeakPolarHBondContact O-CA 3.16Å; E216-G220 PolarHBondContact O-N 2.9Å; F217-G220 PolarHBondContact O-N 2.92Å; F217-G220 VanDerWaalsContact O-N 3.11Å; G220-K222 PolarHBondContact O-N 3.04Å
221R98.1Very high95.8Very high127 Ų12740.3 Ų40.348%0.47920%0.202SC..EExtended strand (participates in β ladder)trans-75.3121.4-176.1-173.8173.471.2-111.2-5.2110.4W215 E216 S219 L223W215-R221 WeakPolarHBondContact CA-O 3.49Å; E216-R221 PolarHBondContact N-O 3.41Å; E216-R221 PolarHBondContact O-N 2.9Å; E216-R221 IonicContact OE1-CZ 2.78Å; E216-R221 IonicContact OE1-NH1 2.79Å; E216-R221 IonicContact OE1-NH2 3.77Å; E216-R221 PolarHBondContact OE1-NH2 3.39Å; E216-R221 IonicContact OE2-CZ 3.82Å; E216-R221 IonicContact OE2-NH1 2.9Å; E216-R221 PolarHBondContact OE2-NH1 2.98Å; E216-R221 IonicContact OE2-NH2 3.19Å; E216-R221 PolarHBondContact OE2-NH2 2.76Å; S219-R221 PolarHBondContact O-N 2.81Å; S219-R221 VanDerWaalsContact OG-CB 3.26Å; S219-R221 WeakPolarHBondContact OG-CB 3.34Å; S219-R221 PolarHBondContact OG-N 2.98Å; R221-L223 PolarHBondContact O-N 2.81Å
222K98Very high94.7Very high102 Ų10242.7 Ų42.744%0.44321%0.212SC..EExtended strand (participates in β ladder)trans-67.6122.5167.8-166.7176.262.5-177.80109.6K213 W215 G220K213-K222 HydrophobicContact CD-CD 4Å; K213-K222 HydrophobicContact CG-CD 4.48Å; W215-K222 HydrophobicContact CD2-CB 4.46Å; W215-K222 HydrophobicContact CD2-CG 4.46Å; W215-K222 VanDerWaalsContact CE3-CA 3.41Å; W215-K222 HydrophobicContact CE3-CB 3.59Å; W215-K222 HydrophobicContact CE3-CG 4.01Å; W215-K222 HydrophobicContact CH2-CB 4.25Å; W215-K222 HydrophobicContact CH2-CD 4.17Å; W215-K222 HydrophobicContact CH2-CG 4.19Å; W215-K222 HydrophobicContact CZ3-CB 3.47Å; W215-K222 VanDerWaalsContact CZ3-CB 3.47Å; W215-K222 HydrophobicContact CZ3-CD 4.23Å; W215-K222 HydrophobicContact CZ3-CG 3.86Å; G220-K222 PolarHBondContact O-N 3.04Å
223L96.8Very high93Very high41 Ų4148 Ų4822%0.21524%0.241CC..EExtended strand (participates in β ladder)trans-88.9-47.5176.3-58.1179.8000110.5W202 L214 E216 R221 K281W202-L223 HydrophobicContact CD2-CD1 4.17Å; W202-L223 HydrophobicContact CG-CD1 4.24Å; W202-L223 HydrophobicContact CZ2-CD1 4.38Å; L214-L223 HydrophobicContact CB-CB 4.45Å; L214-L223 HydrophobicContact CD2-CB 4.11Å; L214-L223 HydrophobicContact CD2-CD1 4.17Å; L214-L223 HydrophobicContact CG-CB 4.14Å; L214-L223 HydrophobicContact CG-CD1 4.16Å; L214-L223 PolarHBondContact O-N 3.24Å; E216-L223 HydrophobicContact CB-CD1 4.27Å; E216-L223 HydrophobicContact CB-CD2 4.24Å; E216-L223 HydrophobicContact CB-CG 4.37Å; R221-L223 PolarHBondContact O-N 2.81Å; L223-K281 HydrophobicContact CB-CD 4.34Å; L223-K281 HydrophobicContact CD1-CD 4.01Å
224Q97.1Very high90.9Very high33 Ų3354.1 Ų54.115%0.15427%0.274CS..EExtended strand (participates in β ladder)trans-151165.3-179.3-78.6179.9-63.600112.4K213 L214K213-Q224 WeakPolarHBondContact CA-O 3.41Å; L214-Q224 HydrophobicContact CB-CB 4.34Å; L214-Q224 PolarHBondContact N-O 2.92Å; L214-Q224 PolarHBondContact O-N 2.81Å
225S96.9Very high88.6Confident54 Ų5461.3 Ų61.338%0.37831%0.312SS..EExtended strand (participates in β ladder)trans-146.2131.1176.4-173.50000109.5V212 K213V212-S225 CarbonylContact O-C 3.54Å; V212-S225 WeakPolarHBondContact O-CA 3.42Å; K213-S225 PolarHBondContact NZ-OG 2.79Å
226W96.6Very high85.9Confident61 Ų6166.5 Ų66.523%0.23135%0.347CS..EExtended strand (participates in β ladder)trans-114.6130.9172.2-76.592.2000109.5T211 V212 L231 F272 L282 F284T211-W226 CarbonylContact C-O 3.58Å; T211-W226 WeakPolarHBondContact CA-O 3.3Å; T211-W226 VanDerWaalsContact CB-O 3.22Å; T211-W226 WeakPolarHBondContact CB-O 3.44Å; V212-W226 PolarHBondContact N-O 3.46Å; V212-W226 PolarHBondContact O-N 2.82Å; W226-L231 HydrophobicContact CE3-CD1 4.4Å; W226-L231 HydrophobicContact CZ3-CD2 4.33Å; W226-F272 HydrophobicContact CB-CE1 4.19Å; W226-F272 HydrophobicContact CB-CZ 4.34Å; W226-F272 AromaticContact CD1-CE1 3.86Å; W226-F272 AromaticContact CD2-CE1 3.75Å; W226-F272 HydrophobicContact CD2-CE1 3.75Å; W226-F272 HydrophobicContact CE3-CE1 4.3Å; W226-F272 AromaticContact CG-CE1 3.67Å; W226-F272 HydrophobicContact CG-CE1 3.67Å; W226-F272 HydrophobicContact CG-CZ 4.29Å; W226-L282 PolarHBondContact NE1-O 2.98Å; W226-F284 HydrophobicContact CE3-CB 4.35Å; W226-F284 HydrophobicContact CH2-CB 3.77Å; W226-F284 HydrophobicContact CZ2-CB 4.15Å; W226-F284 HydrophobicContact CZ3-CB 3.87Å
227D94.9Very high83.3Confident46 Ų4669 Ų6925%0.24637%0.37CS..EExtended strand (participates in β ladder)trans-96.7110.8170.6-179.8-2.5000108T211 G229 Q230 N244T211-D227 HydrophobicContact CG2-CB 4.37Å; D227-G229 VanDerWaalsContact C-N 3.27Å; D227-G229 PolarHBondContact O-N 2.81Å; D227-G229 PolarHBondContact OD1-N 2.85Å; D227-G229 VanDerWaalsContact OD1-N 3.15Å; D227-Q230 HydrophobicContact CB-CG 4.14Å; D227-Q230 PolarHBondContact O-N 2.88Å; D227-Q230 PolarHBondContact OD2-NE2 2.8Å; D227-N244 PolarHBondContact OD1-ND2 2.89Å
228L92.6Very high80.5Confident2 Ų276.3 Ų76.31%0.0141%0.409CS..SBendtrans-72.9-23.3-173.8-59.3-179.5000112.2G210 V212 Q230 L231 E232 V247 V261 C263 Y270 F272G210-L228 WeakPolarHBondContact O-CB 3.31Å; G210-L228 WeakPolarHBondContact O-CG 3.38Å; G210-L228 PolarHBondContact O-N 3.01Å; V212-L228 HydrophobicContact CG2-CD1 4.02Å; V212-L228 HydrophobicContact CG2-CD2 4.44Å; V212-L228 HydrophobicContact CG2-CG 4.4Å; L228-Q230 PolarHBondContact O-N 2.88Å; L228-L231 HydrophobicContact CD2-CD1 3.9Å; L228-L231 WeakPolarHBondContact O-CB 3.15Å; L228-L231 PolarHBondContact O-N 3.25Å; L228-E232 PolarHBondContact O-N 3.48Å; L228-V247 HydrophobicContact CD1-CG2 3.85Å; L228-V261 HydrophobicContact CD1-CG1 3.93Å; L228-C263 WeakPolarHBondContact CD1-SG 3.44Å; L228-Y270 HydrophobicContact CB-CE2 4.44Å; L228-Y270 HydrophobicContact CD1-CD2 4.13Å; L228-Y270 HydrophobicContact CD1-CE2 4.36Å; L228-Y270 HydrophobicContact CD2-CD2 4.39Å; L228-Y270 HydrophobicContact CD2-CG 4.23Å; L228-F272 HydrophobicContact CD2-CE2 4.08Å; L228-F272 HydrophobicContact CD2-CZ 3.71Å
229G87Confident77.6Confident10 Ų1078.4 Ų78.410%0.10344%0.436CS..G310 helixtrans-61.2-34.3174.500000112.1D227 L231 E232D227-G229 VanDerWaalsContact C-N 3.27Å; D227-G229 PolarHBondContact O-N 2.81Å; D227-G229 PolarHBondContact OD1-N 2.85Å; D227-G229 VanDerWaalsContact OD1-N 3.15Å; G229-L231 PolarHBondContact O-N 2.94Å; G229-E232 WeakPolarHBondContact O-CB 3.38Å; G229-E232 PolarHBondContact O-N 2.82Å; G229-E232 VanDerWaalsContact O-N 3.09Å
230Q86.1Confident74.9Confident135 Ų13579.7 Ų79.763%0.63145%0.45SS*.G310 helixtrans-68.4-18.7175.9-62.8176.723.800113.1D227 L228D227-Q230 HydrophobicContact CB-CG 4.14Å; D227-Q230 PolarHBondContact O-N 2.88Å; D227-Q230 PolarHBondContact OD2-NE2 2.8Å; L228-Q230 PolarHBondContact O-N 2.88Å
231L85.1Confident72.2Confident27 Ų2788.6 Ų88.614%0.14149%0.485CS..G310 helixtrans-91.1-7.2176.4-54177.2000112.3W226 L228 G229 Y270 F272 F284 K287W226-L231 HydrophobicContact CE3-CD1 4.4Å; W226-L231 HydrophobicContact CZ3-CD2 4.33Å; L228-L231 HydrophobicContact CD2-CD1 3.9Å; L228-L231 WeakPolarHBondContact O-CB 3.15Å; L228-L231 PolarHBondContact O-N 3.25Å; G229-L231 PolarHBondContact O-N 2.94Å; L231-Y270 HydrophobicContact CB-CD1 4.27Å; L231-Y270 HydrophobicContact CB-CE1 3.91Å; L231-Y270 HydrophobicContact CD1-CD1 4.14Å; L231-F272 HydrophobicContact CD1-CZ 4.22Å; L231-F284 HydrophobicContact CD1-CD2 3.68Å; L231-F284 HydrophobicContact CD1-CE2 3.88Å; L231-F284 HydrophobicContact CD1-CG 4.07Å; L231-F284 HydrophobicContact CD1-CZ 4.41Å; L231-F284 HydrophobicContact CD2-CD1 4.24Å; L231-F284 HydrophobicContact CD2-CE1 4.41Å; L231-F284 HydrophobicContact CD2-CG 4.37Å; L231-K287 PolarHBondContact O-NZ 2.77Å
232E74.6Confident69.7Low63 Ų6385.6 Ų85.629%0.29449%0.494SS..THydrogen-bonded Turntrans-87.6-35.4176-72.5178.6-161.700112.8L228 G229 D234 L266 Y270L228-E232 PolarHBondContact O-N 3.48Å; G229-E232 WeakPolarHBondContact O-CB 3.38Å; G229-E232 PolarHBondContact O-N 2.82Å; G229-E232 VanDerWaalsContact O-N 3.09Å; E232-D234 PolarHBondContact O-N 3.14Å; E232-L266 WeakPolarHBondContact OE1-CD1 3.34Å; E232-Y270 WeakPolarHBondContact CG-OH 3.29Å; E232-Y270 PolarHBondContact OE1-OH 2.76Å
233D62.6Low67.7Low113 Ų11387.2 Ų87.260%0.60451%0.507SS*.THydrogen-bonded Turntrans-64.32.8-169.2-81-17.5000116L235D233-L235 VanDerWaalsContact C-N 3.26Å; D233-L235 PolarHBondContact O-N 3.07Å
234D55.4Low66.5Low136 Ų13688 Ų8873%0.72751%0.512SS*.THydrogen-bonded Turntrans-70.9-12.1175-79.7-24.4000114.2E232E232-D234 PolarHBondContact O-N 3.14Å
235L49.2Very low66Low152 Ų15287.4 Ų87.480%0.79651%0.513SS*.SBendtrans-140.4-0.6-173.7-73.5174.3000118.1D233D233-L235 VanDerWaalsContact C-N 3.26Å; D233-L235 PolarHBondContact O-N 3.07Å
236C43Very low65.8Low110 Ų11085 Ų8574%0.74350%0.496SS*.  trans-142.7107.5178.8-850000113.4
237S41.6Very low65.8Low105 Ų10582 Ų8273%0.73448%0.484SS*.  trans-68.1133.7171.6530000113.1A239S237-A239 PolarHBondContact O-N 2.88Å
238D40Very low65.8Low153 Ų15380.7 Ų80.782%0.81848%0.477SS*.SBendtrans71.516.1140.7-69.7-30000122.3
239A38.3Very low66Low100 Ų10083.1 Ų83.183%0.82649%0.486SS*.SBendtrans-127.43.5178.500000118.6S237S237-A239 PolarHBondContact O-N 2.88Å
240A41Very low66.5Low89 Ų8983 Ų8374%0.73648%0.482SS*.  trans-148.444.5178.700000114.9G242A240-G242 PolarHBondContact O-N 2.92Å
241K41.9Very low67Low201 Ų20177.2 Ų77.287%0.87446%0.457SS*.THydrogen-bonded Turntrans-71.278.2161.2-76.1179.9178.9169.10108.8
242G45.4Very low67.5Low65 Ų6576.6 Ų76.667%0.6746%0.455SS*.THydrogen-bonded Turntrans-172.6-24.9-178.200000118A240A240-G242 PolarHBondContact O-N 2.92Å
243N55.5Low68.5Low135 Ų13573.9 Ų73.972%0.72244%0.443SS*.  trans-144.994.7178.2-92.1-16.1000110.2A245N243-A245 PolarHBondContact O-N 3.01Å
244N71.4Confident69.9Low59 Ų5971.5 Ų71.532%0.31643%0.433SS..PPolyproline II helixtrans-60.1130.9163.8-88.65.8000108.9D209 D227 A246D209-N244 PolarHBondContact O-ND2 2.98Å; D209-N244 VanDerWaalsContact O-ND2 3.17Å; D227-N244 PolarHBondContact OD1-ND2 2.89Å; N244-A246 PolarHBondContact O-N 3.16Å
245A86.8Confident71.5Confident20 Ų2067.7 Ų67.717%0.16543%0.427CS..PPolyproline II helixtrans-63.9132.4175.200000110.4G210 N243 V247 C263 L266G210-A245 WeakPolarHBondContact CA-O 3.32Å; N243-A245 PolarHBondContact O-N 3.01Å; A245-V247 PolarHBondContact O-N 2.63Å; A245-C263 HydrophobicContact CB-CB 3.94Å; A245-L266 HydrophobicContact CB-CD1 3.72Å; A245-L266 HydrophobicContact CB-CD2 3.87Å; A245-L266 HydrophobicContact CB-CG 3.63Å
246A93.3Very high73.4Confident2 Ų260.5 Ų60.52%0.01739%0.389CS..PPolyproline II helixtrans-61.8136.3176.900000111.1F189 N244 F248 C263 D264 F359F189-A246 HydrophobicContact CE2-CB 4.2Å; F189-A246 HydrophobicContact CZ-CB 3.89Å; N244-A246 PolarHBondContact O-N 3.16Å; A246-F248 PolarHBondContact O-N 3.37Å; A246-C263 CarbonylContact O-C 3.58Å; A246-C263 VanDerWaalsContact O-CA 3.25Å; A246-C263 WeakPolarHBondContact O-CA 3.47Å; A246-C263 WeakPolarHBondContact O-CB 2.96Å; A246-D264 PolarHBondContact O-N 3.22Å; A246-F359 HydrophobicContact CB-CB 4.39Å; A246-F359 HydrophobicContact CB-CD2 3.48Å; A246-F359 VanDerWaalsContact CB-CD2 3.48Å; A246-F359 HydrophobicContact CB-CE2 4.05Å; A246-F359 HydrophobicContact CB-CG 4.27Å
247V96.6Very high75.7Confident0 Ų062.3 Ų62.30%038%0.38CS..EExtended strand (participates in β ladder)trans-64.1125.6169.1-178.10000108.1S191 T192 S207 V212 L228 A245 I250 V261S191-V247 WeakPolarHBondContact CB-O 3.38Å; S191-V247 PolarHBondContact OG-O 2.53Å; T192-V247 HydrophobicContact CG2-CG1 3.95Å; S207-V247 PolarHBondContact O-N 3.04Å; V212-V247 HydrophobicContact CG2-CG1 4.46Å; V212-V247 HydrophobicContact CG2-CG2 3.94Å; L228-V247 HydrophobicContact CD1-CG2 3.85Å; A245-V247 PolarHBondContact O-N 2.63Å; V247-I250 HydrophobicContact CG1-CD1 4.29Å; V247-I250 HydrophobicContact CG1-CG1 3.92Å; V247-V261 HydrophobicContact CG1-CG1 3.64Å; V247-V261 HydrophobicContact CG2-CG1 4.45Å
248F94.8Very high78.3Confident18 Ų1858.5 Ų58.58%0.07935%0.352CS..EExtended strand (participates in β ladder)trans-97.7-45.8-178.5178.2-103.9000111.9M1 A246 L262 D264 M295 H358 F359M1-F248 HydrophobicContact CE-CE2 4.29Å; M1-F248 HydrophobicContact CE-CZ 4.4Å; M1-F248 HydrophobicContact CG-CZ 4.45Å; M1-F248 HydrophobicContact SD-CZ 4.22Å; A246-F248 PolarHBondContact O-N 3.37Å; F248-L262 WeakPolarHBondContact CA-O 3.44Å; F248-L262 HydrophobicContact CD1-CD2 3.96Å; F248-L262 HydrophobicContact CD1-CG 4.42Å; F248-L262 PolarHBondContact N-O 3.27Å; F248-D264 HydrophobicContact CB-CB 4.21Å; F248-M295 WeakPolarHBondContact CE1-O 3.25Å; F248-H358 HydrophobicContact CD2-CB 4.38Å; F248-H358 HydrophobicContact CE2-CB 4.17Å; F248-H358 AromaticContact CE2-CD2 3.98Å; F248-H358 AromaticContact CE2-CG 3.76Å; F248-H358 AromaticContact CE2-ND1 3.9Å; F248-F359 HydrophobicContact CB-CE2 4.05Å; F248-F359 AromaticContact CD2-CE2 3.62Å; F248-F359 HydrophobicContact CD2-CE2 3.62Å; F248-F359 AromaticContact CD2-CZ 3.59Å; F248-F359 HydrophobicContact CD2-CZ 3.59Å; F248-F359 HydrophobicContact CE2-CZ 4.28Å; F248-F359 HydrophobicContact CG-CE2 4.32Å; F248-F359 HydrophobicContact CG-CZ 4.48Å
249R96.3Very high81Confident53 Ų5351.2 Ų51.220%0.231%0.313CS..EExtended strand (participates in β ladder)trans-141.4141.4-179.7-177.6161.2-66.7-163.516.2111.9L4 V261 L262 D296 I297L4-R249 PolarHBondContact O-NH1 3.39Å; R249-V261 WeakPolarHBondContact O-CA 3.46Å; R249-L262 HydrophobicContact CB-CB 4.37Å; R249-L262 PolarHBondContact N-O 2.71Å; R249-L262 VanDerWaalsContact N-O 3.07Å; R249-L262 PolarHBondContact O-N 2.93Å; R249-D296 WeakPolarHBondContact CD-OD1 2.97Å; R249-D296 IonicContact CZ-OD1 2.81Å; R249-D296 IonicContact CZ-OD2 3.59Å; R249-D296 IonicContact NE-OD1 3.21Å; R249-D296 PolarHBondContact NE-OD1 3.29Å; R249-D296 IonicContact NE-OD2 3.9Å; R249-D296 IonicContact NH1-OD1 2.76Å; R249-D296 PolarHBondContact NH1-OD1 2.68Å; R249-D296 IonicContact NH1-OD2 3.95Å; R249-D296 PolarHBondContact NH1-OD2 2.69Å; R249-D296 VanDerWaalsContact NH2-CG 3.29Å; R249-D296 IonicContact NH2-OD1 2.7Å; R249-D296 PolarHBondContact NH2-OD1 2.99Å; R249-D296 VanDerWaalsContact NH2-OD1 3.14Å; R249-D296 IonicContact NH2-OD2 3.87Å; R249-D296 PolarHBondContact NH2-OD2 3.37Å; R249-I297 HydrophobicContact CB-CD1 4.46Å; R249-I297 HydrophobicContact CB-CG1 4.11Å; R249-I297 VanDerWaalsContact CD-O 3.24Å; R249-I297 WeakPolarHBondContact CD-O 3.28Å; R249-I297 HydrophobicContact CG-CD1 4.33Å; R249-I297 HydrophobicContact CG-CG1 3.87Å
250I98.1Very high83.9Confident6 Ų646.5 Ų46.53%0.03127%0.273CS..EExtended strand (participates in β ladder)trans-120.2132.1163.4-58.4175.1000106.5T192 E194 L204 V212 V247 V259 A260 V261T192-I250 HydrophobicContact CG2-CB 4.35Å; T192-I250 HydrophobicContact CG2-CD1 3.97Å; T192-I250 HydrophobicContact CG2-CG1 3.76Å; E194-I250 HydrophobicContact CB-CB 4.09Å; E194-I250 HydrophobicContact CB-CG2 3.83Å; E194-I250 HydrophobicContact CG-CG2 4.09Å; L204-I250 HydrophobicContact CB-CD1 4.22Å; L204-I250 HydrophobicContact CB-CG2 4.15Å; L204-I250 HydrophobicContact CD1-CG2 3.95Å; V212-I250 HydrophobicContact CG1-CD1 4.01Å; V212-I250 HydrophobicContact CG2-CD1 4.39Å; V247-I250 HydrophobicContact CG1-CD1 4.29Å; V247-I250 HydrophobicContact CG1-CG1 3.92Å; I250-V259 HydrophobicContact CG2-CG1 3.64Å; I250-A260 WeakPolarHBondContact CA-O 3.11Å; I250-V261 HydrophobicContact CG1-CG1 4.3Å; I250-V261 HydrophobicContact CG1-CG2 4.26Å
251C96.8Very high86.6Confident15 Ų1542.2 Ų42.210%0.10124%0.238CC..EExtended strand (participates in β ladder)trans-138.9143.7169.763.40000110.6V259 A260C251-V259 WeakPolarHBondContact O-CA 3.29Å; C251-A260 PolarHBondContact N-O 2.86Å; C251-A260 PolarHBondContact O-N 2.96Å
252S95.9Very high89.2Confident14 Ų1432.7 Ų32.710%0.09820%0.197CC..EExtended strand (participates in β ladder)trans-102.5148.1178.7-460000110.9E194 D258 F299E194-S252 VanDerWaalsContact CG-OG 3.31Å; E194-S252 WeakPolarHBondContact CG-OG 3.15Å; E194-S252 WeakPolarHBondContact OE1-CB 3.44Å; E194-S252 PolarHBondContact OE1-N 3.28Å; E194-S252 PolarHBondContact OE1-OG 3.43Å; S252-D258 CarbonylContact C-O 3.54Å; S252-D258 WeakPolarHBondContact CA-O 3.34Å; S252-F299 WeakPolarHBondContact O-CD2 3.3Å
253S95.4Very high91.5Very high6 Ų629.7 Ų29.74%0.04217%0.166CC..  trans-63.2159.2169.568.50000110.4G255 G256 D258S253-G255 PolarHBondContact O-N 2.81Å; S253-G255 VanDerWaalsContact O-N 3.1Å; S253-G256 WeakPolarHBondContact O-CA 3.36Å; S253-G256 PolarHBondContact O-N 3.04Å; S253-D258 PolarHBondContact N-O 2.87Å; S253-D258 PolarHBondContact OG-N 2.73Å; S253-D258 VanDerWaalsContact OG-N 3.16Å; S253-D258 PolarHBondContact OG-OD2 2.88Å
254P91.7Very high93.2Very high62 Ų6224.1 Ų24.140%0.40314%0.136SC..THydrogen-bonded Turntrans-56.2-32.4-177.9-27.334.2000113.9T197 G256 D300T197-P254 PolarHBondContact OG1-O 3.4Å; P254-G256 PolarHBondContact O-N 3.39Å; P254-D300 WeakPolarHBondContact CG-O 3.45Å
255G89.1Confident93.8Very high57 Ų5722.5 Ų22.559%0.58813%0.133SC*.THydrogen-bonded Turntrans-800.917400000114.6S198 S253 R257S198-G255 WeakPolarHBondContact CB-O 2.87Å; S253-G255 PolarHBondContact O-N 2.81Å; S253-G255 VanDerWaalsContact O-N 3.1Å; G255-R257 PolarHBondContact O-N 3.16Å; G255-R257 VanDerWaalsContact O-N 3.12Å
256G87.9Confident93.9Very high0 Ų023.1 Ų23.10%013%0.133CC..SBendtrans64.212.5177.400000115T197 S198 S253 P254 L274T197-G256 WeakPolarHBondContact OG1-CA 3.31Å; T197-G256 PolarHBondContact OG1-N 2.99Å; S198-G256 WeakPolarHBondContact OG-CA 3.43Å; S198-G256 PolarHBondContact OG-O 3.32Å; S253-G256 WeakPolarHBondContact O-CA 3.36Å; S253-G256 PolarHBondContact O-N 3.04Å; P254-G256 PolarHBondContact O-N 3.39Å; G256-L274 WeakPolarHBondContact O-CD1 3.39Å
257R92.3Very high93.7Very high148 Ų14826.1 Ų26.156%0.55815%0.148SC*.  trans-89.5-43.1-176.5178.6178.6-179.8-174.4-0.5111.7G255 T273 L274G255-R257 PolarHBondContact O-N 3.16Å; G255-R257 VanDerWaalsContact O-N 3.12Å; R257-T273 HydrophobicContact CG-CG2 3.87Å; R257-T273 CarbonylContact O-C 3.52Å; R257-T273 WeakPolarHBondContact O-CA 3.36Å; R257-L274 PolarHBondContact O-N 3.5Å
258D95.6Very high93.6Very high26 Ų2627.2 Ų27.214%0.13915%0.154CC..EExtended strand (participates in β ladder)trans-100.7135.7-174.8-50.7-66.9000108.7S252 S253 F299 W326S252-D258 CarbonylContact C-O 3.54Å; S252-D258 WeakPolarHBondContact CA-O 3.34Å; S253-D258 PolarHBondContact N-O 2.87Å; S253-D258 PolarHBondContact OG-N 2.73Å; S253-D258 VanDerWaalsContact OG-N 3.16Å; S253-D258 PolarHBondContact OG-OD2 2.88Å; D258-F299 HydrophobicContact CB-CZ 4.38Å; D258-W326 HydrophobicContact CB-CH2 4.4Å; D258-W326 HydrophobicContact CB-CZ2 3.87Å
259V97.7Very high93.7Very high0 Ų026.4 Ų26.40%015%0.15CC..EExtended strand (participates in β ladder)trans-126.5125-177.2176.40000107.9L204 I250 C251 V261 M271 F272 L274L204-V259 HydrophobicContact CD1-CB 4.47Å; L204-V259 HydrophobicContact CD1-CG1 3.78Å; L204-V259 HydrophobicContact CD1-CG2 3.83Å; I250-V259 HydrophobicContact CG2-CG1 3.64Å; C251-V259 WeakPolarHBondContact O-CA 3.29Å; V259-V261 HydrophobicContact CG1-CG2 4.13Å; V259-M271 WeakPolarHBondContact O-CA 3.47Å; V259-F272 HydrophobicContact CB-CB 4.2Å; V259-F272 PolarHBondContact N-O 3.48Å; V259-F272 PolarHBondContact O-N 3.15Å; V259-L274 HydrophobicContact CG2-CD1 3.55Å; V259-L274 HydrophobicContact CG2-CG 3.87Å
260A98.3Very high93.7Very high0 Ų023.9 Ų23.90%014%0.14CC..EExtended strand (participates in β ladder)trans-103133.5173.300000109.3I250 C251 I269 M271 I297 F299 L305I250-A260 WeakPolarHBondContact CA-O 3.11Å; C251-A260 PolarHBondContact N-O 2.86Å; C251-A260 PolarHBondContact O-N 2.96Å; A260-I269 HydrophobicContact CB-CG2 4.1Å; A260-M271 HydrophobicContact CB-CE 3.94Å; A260-M271 HydrophobicContact CB-SD 3.72Å; A260-I297 HydrophobicContact CB-CD1 3.72Å; A260-F299 HydrophobicContact CB-CE2 3.91Å; A260-F299 HydrophobicContact CB-CZ 4.17Å; A260-L305 HydrophobicContact CB-CD1 3.79Å; A260-L305 HydrophobicContact CB-CD2 4.2Å
261V98.3Very high93.7Very high0 Ų023.6 Ų23.60%014%0.139CC..EExtended strand (participates in β ladder)trans-122.9121.6179.2-175.60000109.1V212 L228 V247 R249 I250 V259 Y270 F272V212-V261 HydrophobicContact CG2-CG1 3.73Å; V212-V261 HydrophobicContact CG2-CG2 4.17Å; L228-V261 HydrophobicContact CD1-CG1 3.93Å; V247-V261 HydrophobicContact CG1-CG1 3.64Å; V247-V261 HydrophobicContact CG2-CG1 4.45Å; R249-V261 WeakPolarHBondContact O-CA 3.46Å; I250-V261 HydrophobicContact CG1-CG1 4.3Å; I250-V261 HydrophobicContact CG1-CG2 4.26Å; V259-V261 HydrophobicContact CG1-CG2 4.13Å; V261-Y270 PolarHBondContact N-O 2.64Å; V261-Y270 PolarHBondContact O-N 2.71Å; V261-F272 HydrophobicContact CB-CE2 4.31Å; V261-F272 HydrophobicContact CG2-CD2 3.79Å; V261-F272 HydrophobicContact CG2-CE2 3.84Å
262L96.6Very high93.7Very high1 Ų122.9 Ų22.91%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-108.4132.8175173.360.5000109.3F248 R249 I269 P294 I297F248-L262 WeakPolarHBondContact CA-O 3.44Å; F248-L262 HydrophobicContact CD1-CD2 3.96Å; F248-L262 HydrophobicContact CD1-CG 4.42Å; F248-L262 PolarHBondContact N-O 3.27Å; R249-L262 HydrophobicContact CB-CB 4.37Å; R249-L262 PolarHBondContact N-O 2.71Å; R249-L262 VanDerWaalsContact N-O 3.07Å; R249-L262 PolarHBondContact O-N 2.93Å; L262-I269 HydrophobicContact CD1-CG1 4.26Å; L262-P294 HydrophobicContact CD1-CB 3.75Å; L262-P294 HydrophobicContact CD1-CG 4.27Å; L262-P294 HydrophobicContact CD2-CB 4.29Å; L262-I297 HydrophobicContact CB-CD1 3.71Å; L262-I297 HydrophobicContact CB-CG1 4Å; L262-I297 HydrophobicContact CB-CG2 4.37Å; L262-I297 HydrophobicContact CD2-CG1 4.44Å; L262-I297 HydrophobicContact CD2-CG2 4.17Å
263C94.3Very high93.7Very high2 Ų222.4 Ų22.41%0.01413%0.131CC..EExtended strand (participates in β ladder)trans-103.7147.4171.2-57.30000111.2L228 A245 A246 G265 L266L228-C263 WeakPolarHBondContact CD1-SG 3.44Å; A245-C263 HydrophobicContact CB-CB 3.94Å; A246-C263 CarbonylContact O-C 3.58Å; A246-C263 VanDerWaalsContact O-CA 3.25Å; A246-C263 WeakPolarHBondContact O-CA 3.47Å; A246-C263 WeakPolarHBondContact O-CB 2.96Å; C263-G265 PolarHBondContact O-N 2.74Å; C263-L266 HydrophobicContact CB-CB 4.4Å; C263-L266 HydrophobicContact CB-CD1 3.65Å; C263-L266 HydrophobicContact CB-CG 3.96Å
264D89.9Confident93.6Very high17 Ų1722.5 Ų22.59%0.09113%0.131CC..THydrogen-bonded Turntrans-66.9128.4176.9-168.931.8000110.3A246 F248 R293 N357 H358 F359A246-D264 PolarHBondContact O-N 3.22Å; F248-D264 HydrophobicContact CB-CB 4.21Å; D264-R293 IonicContact OD1-CZ 3.9Å; D264-R293 IonicContact OD1-NH2 2.97Å; D264-R293 PolarHBondContact OD1-NH2 3.3Å; D264-N357 VanDerWaalsContact OD2-C 3.29Å; D264-N357 VanDerWaalsContact OD2-CA 3.31Å; D264-N357 WeakPolarHBondContact OD2-CA 3.4Å; D264-H358 IonicContact OD1-CE1 3.13Å; D264-H358 IonicContact OD1-CG 3.59Å; D264-H358 IonicContact OD1-ND1 3.49Å; D264-H358 PolarHBondContact OD1-ND1 2.82Å; D264-H358 PolarHBondContact OD2-N 3.43Å; D264-H358 IonicContact OD2-ND1 3.19Å; D264-F359 HydrophobicContact CB-CD2 3.88Å; D264-F359 HydrophobicContact CB-CE2 4.07Å
265G84.1Confident93.6Very high25 Ų2522.5 Ų22.526%0.25813%0.125SC..THydrogen-bonded Turntrans93.1-15.2175.900000115.3C263 R293C263-G265 PolarHBondContact O-N 2.74Å; G265-R293 VanDerWaalsContact CA-NH2 3.29Å
266L88.5Confident93Very high33 Ų3328.7 Ų28.717%0.17313%0.131CC..  trans-95.5156.3-172.3-58.3-169.7000113.4E232 A245 C263 N268 Y270 P294E232-L266 WeakPolarHBondContact OE1-CD1 3.34Å; A245-L266 HydrophobicContact CB-CD1 3.72Å; A245-L266 HydrophobicContact CB-CD2 3.87Å; A245-L266 HydrophobicContact CB-CG 3.63Å; C263-L266 HydrophobicContact CB-CB 4.4Å; C263-L266 HydrophobicContact CB-CD1 3.65Å; C263-L266 HydrophobicContact CB-CG 3.96Å; L266-N268 VanDerWaalsContact C-N 3.3Å; L266-Y270 HydrophobicContact CD1-CE2 4.32Å; L266-P294 WeakPolarHBondContact O-CD 3.3Å
267M90.7Very high92.6Very high65 Ų6535.3 Ų35.332%0.3217%0.171SC..SBendtrans-91.48.4174.4-55.7-60.3123.200112.7F290 R293M267-F290 WeakPolarHBondContact O-CD2 3.38Å; M267-F290 PolarHBondContact O-N 3.12Å; M267-R293 HydrophobicContact CE-CB 3.58Å; M267-R293 HydrophobicContact CE-CG 3.85Å; M267-R293 VanDerWaalsContact SD-CA 3.57Å; M267-R293 HydrophobicContact SD-CB 4Å
268N92.8Very high92Very high24 Ų2429.5 Ų29.513%0.12815%0.153CC..EExtended strand (participates in β ladder)trans-119.1142.3-171.8-60.3-41.6000111.3L266 Y270 K287 L288 H289L266-N268 VanDerWaalsContact C-N 3.3Å; N268-Y270 HydrophobicContact CB-CE2 4.4Å; N268-K287 HydrophobicContact CB-CD 4.19Å; N268-K287 HydrophobicContact CB-CG 4.01Å; N268-L288 CarbonylContact C-O 3.57Å; N268-L288 VanDerWaalsContact CA-O 3.22Å; N268-L288 WeakPolarHBondContact CA-O 3.35Å; N268-H289 PolarHBondContact OD1-ND1 2.97Å
269I96.6Very high91.2Very high0 Ų035.7 Ų35.70%019%0.187CC..EExtended strand (participates in β ladder)trans-111.5131163.9-61.9169.2000108A260 L262 M271 L288 F290 P294 I297 L305 V307A260-I269 HydrophobicContact CB-CG2 4.1Å; L262-I269 HydrophobicContact CD1-CG1 4.26Å; I269-M271 HydrophobicContact CG2-SD 3.83Å; I269-L288 HydrophobicContact CB-CB 4.35Å; I269-L288 PolarHBondContact N-O 3.1Å; I269-L288 PolarHBondContact O-N 2.8Å; I269-F290 HydrophobicContact CB-CE2 4.05Å; I269-F290 HydrophobicContact CD1-CD2 4.34Å; I269-F290 HydrophobicContact CD1-CE2 3.44Å; I269-F290 VanDerWaalsContact CD1-CE2 3.44Å; I269-F290 HydrophobicContact CD1-CZ 3.64Å; I269-F290 HydrophobicContact CG1-CD2 4.38Å; I269-F290 HydrophobicContact CG1-CE2 3.7Å; I269-F290 HydrophobicContact CG1-CZ 4.39Å; I269-P294 HydrophobicContact CD1-CB 4.35Å; I269-P294 HydrophobicContact CD1-CG 4.36Å; I269-P294 HydrophobicContact CG1-CB 4.47Å; I269-P294 HydrophobicContact CG1-CG 4.28Å; I269-I297 HydrophobicContact CD1-CG2 3.38Å; I269-I297 HydrophobicContact CG1-CG2 4.13Å; I269-L305 HydrophobicContact CG2-CD2 4.44Å; I269-V307 HydrophobicContact CD1-CB 4.36Å; I269-V307 HydrophobicContact CD1-CG1 3.75Å; I269-V307 HydrophobicContact CD1-CG2 3.62Å
270Y97.1Very high90.7Very high0 Ų040.9 Ų40.90%021%0.211CC..EExtended strand (participates in β ladder)trans-96.5123.1178-56.6-87.9000109.7L228 L231 E232 V261 L266 N268 F284 K287L228-Y270 HydrophobicContact CB-CE2 4.44Å; L228-Y270 HydrophobicContact CD1-CD2 4.13Å; L228-Y270 HydrophobicContact CD1-CE2 4.36Å; L228-Y270 HydrophobicContact CD2-CD2 4.39Å; L228-Y270 HydrophobicContact CD2-CG 4.23Å; L231-Y270 HydrophobicContact CB-CD1 4.27Å; L231-Y270 HydrophobicContact CB-CE1 3.91Å; L231-Y270 HydrophobicContact CD1-CD1 4.14Å; E232-Y270 WeakPolarHBondContact CG-OH 3.29Å; E232-Y270 PolarHBondContact OE1-OH 2.76Å; V261-Y270 PolarHBondContact N-O 2.64Å; V261-Y270 PolarHBondContact O-N 2.71Å; L266-Y270 HydrophobicContact CD1-CE2 4.32Å; N268-Y270 HydrophobicContact CB-CE2 4.4Å; Y270-F284 HydrophobicContact CD1-CE2 4.02Å; Y270-K287 HydrophobicContact CD1-CD 4.48Å; Y270-K287 HydrophobicContact CD1-CG 4.45Å; Y270-K287 HydrophobicContact CE1-CD 3.88Å; Y270-K287 HydrophobicContact CE1-CG 4.28Å
271M97.6Very high90.6Very high0 Ų043.2 Ų43.20%022%0.221CC..EExtended strand (participates in β ladder)trans-99.2130178.8-57.9-53.1-67.600109.6V259 A260 I269 H285 S286 L288 F299 L305 W326V259-M271 WeakPolarHBondContact O-CA 3.47Å; A260-M271 HydrophobicContact CB-CE 3.94Å; A260-M271 HydrophobicContact CB-SD 3.72Å; I269-M271 HydrophobicContact CG2-SD 3.83Å; M271-H285 HydrophobicContact CB-CB 4.49Å; M271-H285 WeakPolarHBondContact O-CA 3.47Å; M271-H285 WeakPolarHBondContact O-CB 3.4Å; M271-H285 PolarHBondContact O-N 3.4Å; M271-S286 WeakPolarHBondContact CB-O 3.4Å; M271-S286 PolarHBondContact N-O 2.77Å; M271-S286 PolarHBondContact O-N 3.22Å; M271-L288 HydrophobicContact CG-CD1 3.91Å; M271-L288 HydrophobicContact CG-CG 3.99Å; M271-L288 HydrophobicContact SD-CD1 4.04Å; M271-F299 HydrophobicContact CE-CZ 4.02Å; M271-L305 HydrophobicContact CE-CD2 4.05Å; M271-L305 HydrophobicContact SD-CD2 3.84Å; M271-W326 HydrophobicContact CE-CD2 3.87Å; M271-W326 HydrophobicContact CE-CE3 4.29Å; M271-W326 HydrophobicContact CE-CH2 3.97Å; M271-W326 HydrophobicContact CE-CZ2 3.46Å; M271-W326 VanDerWaalsContact CE-CZ2 3.46Å; M271-W326 HydrophobicContact CE-CZ3 4.34Å; M271-W326 HydrophobicContact CG-CG 4.3Å
272F96.9Very high90.5Very high1 Ų143.3 Ų43.30%0.00422%0.221CC..EExtended strand (participates in β ladder)trans-122.6158.5175.2-65-99.3000110.6W226 L228 L231 V259 V261 L282 R283 F284W226-F272 HydrophobicContact CB-CE1 4.19Å; W226-F272 HydrophobicContact CB-CZ 4.34Å; W226-F272 AromaticContact CD1-CE1 3.86Å; W226-F272 AromaticContact CD2-CE1 3.75Å; W226-F272 HydrophobicContact CD2-CE1 3.75Å; W226-F272 HydrophobicContact CE3-CE1 4.3Å; W226-F272 AromaticContact CG-CE1 3.67Å; W226-F272 HydrophobicContact CG-CE1 3.67Å; W226-F272 HydrophobicContact CG-CZ 4.29Å; L228-F272 HydrophobicContact CD2-CE2 4.08Å; L228-F272 HydrophobicContact CD2-CZ 3.71Å; L231-F272 HydrophobicContact CD1-CZ 4.22Å; V259-F272 HydrophobicContact CB-CB 4.2Å; V259-F272 PolarHBondContact N-O 3.48Å; V259-F272 PolarHBondContact O-N 3.15Å; V261-F272 HydrophobicContact CB-CE2 4.31Å; V261-F272 HydrophobicContact CG2-CD2 3.79Å; V261-F272 HydrophobicContact CG2-CE2 3.84Å; F272-L282 HydrophobicContact CB-CD1 3.57Å; F272-L282 HydrophobicContact CB-CG 4.25Å; F272-L282 HydrophobicContact CD1-CD1 4.18Å; F272-L282 HydrophobicContact CD1-CD2 4.39Å; F272-L282 HydrophobicContact CD1-CG 3.91Å; F272-L282 HydrophobicContact CG-CD1 4.08Å; F272-L282 HydrophobicContact CG-CG 4.31Å; F272-R283 CarbonylContact C-O 3.59Å; F272-R283 WeakPolarHBondContact CA-O 3.4Å; F272-F284 HydrophobicContact CD1-CB 4.06Å; F272-F284 HydrophobicContact CD1-CD2 4.45Å; F272-F284 HydrophobicContact CE1-CB 3.79Å; F272-F284 AromaticContact CE1-CD2 4Å; F272-F284 HydrophobicContact CE1-CD2 4Å; F272-F284 HydrophobicContact CE1-CG 4.39Å; F272-F284 HydrophobicContact CE2-CD2 4.37Å; F272-F284 AromaticContact CZ-CD2 3.95Å; F272-F284 HydrophobicContact CZ-CD2 3.95Å
273T95.4Very high90.4Very high4 Ų447.1 Ų47.13%0.02524%0.236CC..EExtended strand (participates in β ladder)trans-118.5131.2171.1-55.50000109.1R257 E275 R283R257-T273 HydrophobicContact CG-CG2 3.87Å; R257-T273 CarbonylContact O-C 3.52Å; R257-T273 WeakPolarHBondContact O-CA 3.36Å; T273-E275 HydrophobicContact CG2-CG 4.31Å; T273-R283 PolarHBondContact N-O 3.44Å; T273-R283 PolarHBondContact O-N 2.95Å
274L94.6Very high90.4Very high7 Ų749.7 Ų49.74%0.03725%0.247CC..EExtended strand (participates in β ladder)trans-89.6131.5171.3-78.9168.4000110.7P196 W202 L204 L214 G256 R257 V259 K281 L282P196-L274 HydrophobicContact CB-CD1 3.42Å; P196-L274 VanDerWaalsContact CB-CD1 3.42Å; P196-L274 HydrophobicContact CG-CD1 3.67Å; W202-L274 HydrophobicContact CE3-CD2 4.13Å; W202-L274 HydrophobicContact CZ3-CD2 4.1Å; L204-L274 HydrophobicContact CD1-CD1 4.29Å; L214-L274 HydrophobicContact CD1-CD2 4.25Å; L214-L274 HydrophobicContact CD2-CD2 4.38Å; G256-L274 WeakPolarHBondContact O-CD1 3.39Å; R257-L274 PolarHBondContact O-N 3.5Å; V259-L274 HydrophobicContact CG2-CD1 3.55Å; V259-L274 HydrophobicContact CG2-CG 3.87Å; L274-K281 CarbonylContact C-O 3.53Å; L274-K281 VanDerWaalsContact CA-O 3.26Å; L274-K281 WeakPolarHBondContact CA-O 3.26Å; L274-K281 WeakPolarHBondContact CD2-O 3.22Å; L274-L282 HydrophobicContact CD2-CB 4.18Å; L274-L282 HydrophobicContact CD2-CD1 3.74Å; L274-L282 HydrophobicContact CG-CD1 4.01Å
275E90.3Very high90.6Very high62 Ų6250.6 Ų50.629%0.2925%0.251SS..  trans-129.9130-178.6-68.6-177.2-162.300109.9W202 T273 S278 K281 R283W202-E275 WeakPolarHBondContact CH2-O 3.48Å; T273-E275 HydrophobicContact CG2-CG 4.31Å; E275-S278 WeakPolarHBondContact CB-OG 3.09Å; E275-K281 PolarHBondContact N-O 3.3Å; E275-K281 WeakPolarHBondContact O-CA 3.43Å; E275-R283 IonicContact OE1-CZ 3.51Å; E275-R283 IonicContact OE1-NE 3.72Å; E275-R283 PolarHBondContact OE1-NE 3.48Å; E275-R283 IonicContact OE1-NH2 2.67Å
276R78Confident91.2Very high188 Ų18850.6 Ų50.671%0.70925%0.247SC*.SBendtrans-76-41.2-172.2-168.9165.6171.1159.8-2.4113.6H199H199-R276 VanDerWaalsContact NE2-CA 3.29Å; H199-R276 WeakPolarHBondContact NE2-CA 3.29Å; H199-R276 WeakPolarHBondContact NE2-CB 3.44Å; H199-R276 WeakPolarHBondContact NE2-CG 3.28Å
277T79.2Confident91.4Very high138 Ų13852.2 Ų52.285%0.84725%0.252SS*.SBendtrans-106.1-8.2-164.552.50000113.5
278S79.5Confident91.6Very high26 Ų2649.9 Ų49.918%0.18224%0.241CC..SBendtrans-77.9157.2177.857.50000111.3E275 E280 K281E275-S278 WeakPolarHBondContact CB-OG 3.09Å; S278-E280 VanDerWaalsContact C-N 3.27Å; S278-E280 PolarHBondContact OG-O 2.94Å; S278-K281 PolarHBondContact O-NZ 3.36Å; S278-K281 VanDerWaalsContact O-NZ 3.14Å
279D79.1Confident91.7Very high157 Ų15755.1 Ų55.184%0.8426%0.264SS*.SBendtrans-64.1-40.5166-71.2-26.5000109.9K281D279-K281 PolarHBondContact O-N 2.79Å
280E87.4Confident91.5Very high109 Ų10955.3 Ų55.351%0.50927%0.265SS..  trans-87.386.1172.3-65.8-172.217100112.4S278 L282S278-E280 VanDerWaalsContact C-N 3.27Å; S278-E280 PolarHBondContact OG-O 2.94Å; E280-L282 PolarHBondContact O-N 3.16Å
281K94.7Very high91.2Very high49 Ų4962.8 Ų62.821%0.21330%0.304CS..SBendtrans-70.4-29.1-174.6-67.7167.717853.90114.7W202 L214 L223 L274 E275 S278 D279W202-K281 HydrophobicContact CH2-CB 3.64Å; W202-K281 HydrophobicContact CH2-CD 3.57Å; W202-K281 HydrophobicContact CH2-CG 3.53Å; W202-K281 HydrophobicContact CZ2-CB 4.47Å; W202-K281 HydrophobicContact CZ2-CD 3.57Å; W202-K281 HydrophobicContact CZ2-CG 4.07Å; W202-K281 HydrophobicContact CZ3-CB 3.78Å; W202-K281 HydrophobicContact CZ3-CD 4.37Å; W202-K281 HydrophobicContact CZ3-CG 4.21Å; L214-K281 HydrophobicContact CD2-CB 3.56Å; L214-K281 HydrophobicContact CD2-CD 4.44Å; L223-K281 HydrophobicContact CB-CD 4.34Å; L223-K281 HydrophobicContact CD1-CD 4.01Å; L274-K281 CarbonylContact C-O 3.53Å; L274-K281 VanDerWaalsContact CA-O 3.26Å; L274-K281 WeakPolarHBondContact CA-O 3.26Å; L274-K281 WeakPolarHBondContact CD2-O 3.22Å; E275-K281 PolarHBondContact N-O 3.3Å; E275-K281 WeakPolarHBondContact O-CA 3.43Å; S278-K281 PolarHBondContact O-NZ 3.36Å; S278-K281 VanDerWaalsContact O-NZ 3.14Å; D279-K281 PolarHBondContact O-N 2.79Å
282L96.3Very high90.9Very high1 Ų166 Ų661%0.00532%0.319CS..EExtended strand (participates in β ladder)trans-124.6108.2176-178.869.1000106.8L204 V212 L214 W226 F272 L274 E280L204-L282 HydrophobicContact CD2-CD1 4.23Å; L204-L282 HydrophobicContact CD2-CD2 3.74Å; V212-L282 HydrophobicContact CG1-CD2 4.12Å; L214-L282 HydrophobicContact CD2-CB 4.2Å; W226-L282 PolarHBondContact NE1-O 2.98Å; F272-L282 HydrophobicContact CB-CD1 3.57Å; F272-L282 HydrophobicContact CB-CG 4.25Å; F272-L282 HydrophobicContact CD1-CD1 4.18Å; F272-L282 HydrophobicContact CD1-CD2 4.39Å; F272-L282 HydrophobicContact CD1-CG 3.91Å; F272-L282 HydrophobicContact CG-CD1 4.08Å; F272-L282 HydrophobicContact CG-CG 4.31Å; L274-L282 HydrophobicContact CD2-CB 4.18Å; L274-L282 HydrophobicContact CD2-CD1 3.74Å; L274-L282 HydrophobicContact CG-CD1 4.01Å; E280-L282 PolarHBondContact O-N 3.16Å
283R95.3Very high90.6Very high81 Ų8167.5 Ų67.531%0.30633%0.325SS..EExtended strand (participates in β ladder)trans-110128.6-175.6-172.7176.363.379.3-0.7109.9F272 T273 E275 H285F272-R283 CarbonylContact C-O 3.59Å; F272-R283 WeakPolarHBondContact CA-O 3.4Å; T273-R283 PolarHBondContact N-O 3.44Å; T273-R283 PolarHBondContact O-N 2.95Å; E275-R283 IonicContact OE1-CZ 3.51Å; E275-R283 IonicContact OE1-NE 3.72Å; E275-R283 PolarHBondContact OE1-NE 3.48Å; E275-R283 IonicContact OE1-NH2 2.67Å; R283-H285 PolarHBondContact O-N 2.99Å
284F95.2Very high90.5Very high56 Ų5667.6 Ų67.625%0.24633%0.325CS..EExtended strand (participates in β ladder)trans-62.8131.1170.4177.5-110.1000110W226 L231 Y270 F272 S286 K287W226-F284 HydrophobicContact CE3-CB 4.35Å; W226-F284 HydrophobicContact CH2-CB 3.77Å; W226-F284 HydrophobicContact CZ2-CB 4.15Å; W226-F284 HydrophobicContact CZ3-CB 3.87Å; L231-F284 HydrophobicContact CD1-CD2 3.68Å; L231-F284 HydrophobicContact CD1-CE2 3.88Å; L231-F284 HydrophobicContact CD1-CG 4.07Å; L231-F284 HydrophobicContact CD1-CZ 4.41Å; L231-F284 HydrophobicContact CD2-CD1 4.24Å; L231-F284 HydrophobicContact CD2-CE1 4.41Å; L231-F284 HydrophobicContact CD2-CG 4.37Å; Y270-F284 HydrophobicContact CD1-CE2 4.02Å; F272-F284 HydrophobicContact CD1-CB 4.06Å; F272-F284 HydrophobicContact CD1-CD2 4.45Å; F272-F284 HydrophobicContact CE1-CB 3.79Å; F272-F284 AromaticContact CE1-CD2 4Å; F272-F284 HydrophobicContact CE1-CD2 4Å; F272-F284 HydrophobicContact CE1-CG 4.39Å; F272-F284 HydrophobicContact CE2-CD2 4.37Å; F272-F284 AromaticContact CZ-CD2 3.95Å; F272-F284 HydrophobicContact CZ-CD2 3.95Å; F284-S286 WeakPolarHBondContact CE2-O 3.49Å; F284-S286 VanDerWaalsContact CZ-C 3.47Å; F284-K287 HydrophobicContact CZ-CB 4.19Å
285H94.2Very high90.3Very high37 Ų3768.6 Ų68.617%0.17133%0.33CS..EExtended strand (participates in β ladder)trans-108-59.3-178.4177.179.3000111.7M271 R283 F321 N324 W326M271-H285 HydrophobicContact CB-CB 4.49Å; M271-H285 WeakPolarHBondContact O-CA 3.47Å; M271-H285 WeakPolarHBondContact O-CB 3.4Å; M271-H285 PolarHBondContact O-N 3.4Å; R283-H285 PolarHBondContact O-N 2.99Å; H285-F321 AromaticContact CE1-CE2 3.66Å; H285-F321 AromaticContact NE2-CE2 3.45Å; H285-F321 WeakPolarHBondContact NE2-CE2 3.25Å; H285-N324 PolarHBondContact CE1-O 3.42Å; H285-W326 AromaticContact CD2-CD1 3.65Å; H285-W326 AromaticContact CD2-NE1 3.83Å; H285-W326 AromaticContact NE2-CD1 3.88Å
286S94.8Very high90.6Very high25 Ų2565.7 Ų65.718%0.17532%0.317CS..EExtended strand (participates in β ladder)trans-157.5164.1-176.768.50000112.5M271 F284M271-S286 WeakPolarHBondContact CB-O 3.4Å; M271-S286 PolarHBondContact N-O 2.77Å; M271-S286 PolarHBondContact O-N 3.22Å; F284-S286 WeakPolarHBondContact CE2-O 3.49Å; F284-S286 VanDerWaalsContact CZ-C 3.47Å
287K94.1Very high91.5Very high67 Ų6756.7 Ų56.729%0.29128%0.283SS..EExtended strand (participates in β ladder)trans-111.7127.4171-178.916861.6-170.20109.2L231 N268 Y270 F284L231-K287 PolarHBondContact O-NZ 2.77Å; N268-K287 HydrophobicContact CB-CD 4.19Å; N268-K287 HydrophobicContact CB-CG 4.01Å; Y270-K287 HydrophobicContact CD1-CD 4.48Å; Y270-K287 HydrophobicContact CD1-CG 4.45Å; Y270-K287 HydrophobicContact CE1-CD 3.88Å; Y270-K287 HydrophobicContact CE1-CG 4.28Å; F284-K287 HydrophobicContact CZ-CB 4.19Å
288L95.3Very high92.3Very high16 Ų1650.5 Ų50.58%0.08425%0.246CC..EExtended strand (participates in β ladder)trans-102.1119.6175.2-57.3-178.1000108.9N268 I269 M271 F290 L305 H319 W326N268-L288 CarbonylContact C-O 3.57Å; N268-L288 VanDerWaalsContact CA-O 3.22Å; N268-L288 WeakPolarHBondContact CA-O 3.35Å; I269-L288 HydrophobicContact CB-CB 4.35Å; I269-L288 PolarHBondContact N-O 3.1Å; I269-L288 PolarHBondContact O-N 2.8Å; M271-L288 HydrophobicContact CG-CD1 3.91Å; M271-L288 HydrophobicContact CG-CG 3.99Å; M271-L288 HydrophobicContact SD-CD1 4.04Å; L288-F290 HydrophobicContact CB-CE2 3.62Å; L288-F290 HydrophobicContact CB-CZ 4Å; L288-F290 WeakPolarHBondContact O-CD2 3.4Å; L288-F290 WeakPolarHBondContact O-CE2 3.29Å; L288-L305 HydrophobicContact CD1-CD2 4.09Å; L288-H319 HydrophobicContact CD1-CB 4.44Å; L288-W326 HydrophobicContact CD1-CB 4.2Å; L288-W326 HydrophobicContact CD2-CB 3.74Å
289H94.1Very high93.1Very high133 Ų13350.2 Ų50.262%0.61624%0.242SC*.EExtended strand (participates in β ladder)trans-100.9137179.6-176.270.7000110.9N268N268-H289 PolarHBondContact OD1-ND1 2.97Å
290F93.1Very high93.8Very high4 Ų443.1 Ų43.12%0.01820%0.204CC..  trans-120.2147.9-176.8-63.7-93.7000111.4M267 I269 L288 H292 P294 V307 L309 H319M267-F290 WeakPolarHBondContact O-CD2 3.38Å; M267-F290 PolarHBondContact O-N 3.12Å; I269-F290 HydrophobicContact CB-CE2 4.05Å; I269-F290 HydrophobicContact CD1-CD2 4.34Å; I269-F290 HydrophobicContact CD1-CE2 3.44Å; I269-F290 VanDerWaalsContact CD1-CE2 3.44Å; I269-F290 HydrophobicContact CD1-CZ 3.64Å; I269-F290 HydrophobicContact CG1-CD2 4.38Å; I269-F290 HydrophobicContact CG1-CE2 3.7Å; I269-F290 HydrophobicContact CG1-CZ 4.39Å; L288-F290 HydrophobicContact CB-CE2 3.62Å; L288-F290 HydrophobicContact CB-CZ 4Å; L288-F290 WeakPolarHBondContact O-CD2 3.4Å; L288-F290 WeakPolarHBondContact O-CE2 3.29Å; F290-H292 VanDerWaalsContact C-N 3.31Å; F290-H292 VanDerWaalsContact CB-O 3.25Å; F290-H292 WeakPolarHBondContact CB-O 3.19Å; F290-P294 HydrophobicContact CB-CG 4.23Å; F290-P294 HydrophobicContact CD2-CG 3.78Å; F290-P294 HydrophobicContact CE2-CG 4.39Å; F290-P294 HydrophobicContact CG-CG 3.99Å; F290-V307 HydrophobicContact CD1-CG1 4.39Å; F290-V307 HydrophobicContact CE1-CB 4.17Å; F290-V307 HydrophobicContact CE1-CG1 3.94Å; F290-V307 HydrophobicContact CE1-CG2 4.07Å; F290-V307 HydrophobicContact CZ-CB 4.43Å; F290-V307 HydrophobicContact CZ-CG1 4.15Å; F290-V307 HydrophobicContact CZ-CG2 3.9Å; F290-L309 HydrophobicContact CB-CD2 4.29Å; F290-L309 HydrophobicContact CD1-CD2 3.87Å; F290-L309 HydrophobicContact CG-CD2 4.24Å; F290-H319 AromaticContact CE1-NE2 3.3Å; F290-H319 VanDerWaalsContact CE1-NE2 3.3Å; F290-H319 WeakPolarHBondContact CE1-NE2 3.2Å; F290-H319 AromaticContact CZ-NE2 3.61Å
291L91.1Very high93.9Very high157 Ų15741.7 Ų41.782%0.82220%0.203SC*.SBendtrans-76.6-21.1175.7-64176.9000113
292H90.6Very high93.8Very high68 Ų6844.8 Ų44.832%0.31522%0.216SC..SBendtrans-125.6153.2177.4-61-69.4000109F290 P294 L309 S311F290-H292 VanDerWaalsContact C-N 3.31Å; F290-H292 VanDerWaalsContact CB-O 3.25Å; F290-H292 WeakPolarHBondContact CB-O 3.19Å; H292-P294 VanDerWaalsContact O-CD 3.3Å; H292-P294 WeakPolarHBondContact O-CD 3.41Å; H292-L309 HydrophobicContact CB-CB 4.24Å; H292-S311 PolarHBondContact NE2-OG 3.18Å
293R89.4Confident93.7Very high33 Ų3345.7 Ų45.713%0.12523%0.225CC..  trans-63.4123.9-178.7-174.7172.2171.5163.9-4.4110.3D264 G265 M267 M295 L309 D310 N357D264-R293 IonicContact OD1-CZ 3.9Å; D264-R293 IonicContact OD1-NH2 2.97Å; D264-R293 PolarHBondContact OD1-NH2 3.3Å; G265-R293 VanDerWaalsContact CA-NH2 3.29Å; M267-R293 HydrophobicContact CE-CB 3.58Å; M267-R293 HydrophobicContact CE-CG 3.85Å; M267-R293 VanDerWaalsContact SD-CA 3.57Å; M267-R293 HydrophobicContact SD-CB 4Å; R293-M295 PolarHBondContact O-N 2.92Å; R293-L309 WeakPolarHBondContact O-CA 3.39Å; R293-D310 HydrophobicContact CB-CB 4.21Å; R293-D310 PolarHBondContact O-N 3.04Å; R293-N357 PolarHBondContact NH2-OD1 3.22Å
294P93.8Very high93.7Very high5 Ų542.8 Ų42.83%0.03221%0.214CC..EExtended strand (participates in β ladder)trans-65.3124.7166.5-18.833.1000110.4L262 L266 I269 F290 H292 V307 L308 L309L262-P294 HydrophobicContact CD1-CB 3.75Å; L262-P294 HydrophobicContact CD1-CG 4.27Å; L262-P294 HydrophobicContact CD2-CB 4.29Å; L266-P294 WeakPolarHBondContact O-CD 3.3Å; I269-P294 HydrophobicContact CD1-CB 4.35Å; I269-P294 HydrophobicContact CD1-CG 4.36Å; I269-P294 HydrophobicContact CG1-CB 4.47Å; I269-P294 HydrophobicContact CG1-CG 4.28Å; F290-P294 HydrophobicContact CB-CG 4.23Å; F290-P294 HydrophobicContact CD2-CG 3.78Å; F290-P294 HydrophobicContact CE2-CG 4.39Å; F290-P294 HydrophobicContact CG-CG 3.99Å; H292-P294 VanDerWaalsContact O-CD 3.3Å; H292-P294 WeakPolarHBondContact O-CD 3.41Å; P294-V307 HydrophobicContact CB-CG1 3.82Å; P294-V307 HydrophobicContact CG-CG1 4.28Å; P294-L308 CarbonylContact C-O 3.3Å; P294-L308 WeakPolarHBondContact CA-O 3.27Å; P294-L309 HydrophobicContact CB-CD2 4.34Å; P294-L309 HydrophobicContact CG-CD2 4.17Å
295M92Very high93.8Very high29 Ų2940.1 Ų40.114%0.14320%0.203CC..EExtended strand (participates in β ladder)trans-90.9-38.7176.7-68.7-60.7-67.300111.2A2 F248 R293 L308 D310A2-M295 HydrophobicContact CB-CB 4.25Å; A2-M295 HydrophobicContact CB-CE 4.12Å; F248-M295 WeakPolarHBondContact CE1-O 3.25Å; R293-M295 PolarHBondContact O-N 2.92Å; M295-L308 HydrophobicContact CB-CD2 4.37Å; M295-L308 HydrophobicContact CB-CG 4.4Å; M295-L308 PolarHBondContact N-O 3.34Å; M295-D310 HydrophobicContact CG-CB 3.82Å; M295-D310 HydrophobicContact SD-CB 3.96Å
296D94.8Very high93.9Very high0 Ų038.3 Ų38.30%019%0.194CC..EExtended strand (participates in β ladder)trans-155.8162.3175.2-157.116000113C3 L4 R249 L308C3-D296 VanDerWaalsContact C-OD2 3.3Å; C3-D296 WeakPolarHBondContact CA-OD2 3.36Å; L4-D296 VanDerWaalsContact CD2-C 3.44Å; L4-D296 HydrophobicContact CD2-CB 4.06Å; L4-D296 VanDerWaalsContact CD2-O 3.26Å; L4-D296 WeakPolarHBondContact CD2-O 3.47Å; L4-D296 HydrophobicContact CG-CB 4.31Å; L4-D296 PolarHBondContact N-OD2 3.36Å; R249-D296 WeakPolarHBondContact CD-OD1 2.97Å; R249-D296 IonicContact CZ-OD1 2.81Å; R249-D296 IonicContact CZ-OD2 3.59Å; R249-D296 IonicContact NE-OD1 3.21Å; R249-D296 PolarHBondContact NE-OD1 3.29Å; R249-D296 IonicContact NE-OD2 3.9Å; R249-D296 IonicContact NH1-OD1 2.76Å; R249-D296 PolarHBondContact NH1-OD1 2.68Å; R249-D296 IonicContact NH1-OD2 3.95Å; R249-D296 PolarHBondContact NH1-OD2 2.69Å; R249-D296 VanDerWaalsContact NH2-CG 3.29Å; R249-D296 IonicContact NH2-OD1 2.7Å; R249-D296 PolarHBondContact NH2-OD1 2.99Å; R249-D296 VanDerWaalsContact NH2-OD1 3.14Å; R249-D296 IonicContact NH2-OD2 3.87Å; R249-D296 PolarHBondContact NH2-OD2 3.37Å; D296-L308 HydrophobicContact CB-CB 4.41Å; D296-L308 HydrophobicContact CB-CD2 4.47Å; D296-L308 PolarHBondContact N-O 3.1Å; D296-L308 PolarHBondContact O-N 2.79Å
297I97.1Very high94Very high0 Ų037.1 Ų37.10%019%0.186CC..EExtended strand (participates in β ladder)trans-135.9149.5-178.458165.7000112R249 A260 L262 I269 L305 W306 V307R249-I297 HydrophobicContact CB-CD1 4.46Å; R249-I297 HydrophobicContact CB-CG1 4.11Å; R249-I297 VanDerWaalsContact CD-O 3.24Å; R249-I297 WeakPolarHBondContact CD-O 3.28Å; R249-I297 HydrophobicContact CG-CD1 4.33Å; R249-I297 HydrophobicContact CG-CG1 3.87Å; A260-I297 HydrophobicContact CB-CD1 3.72Å; L262-I297 HydrophobicContact CB-CD1 3.71Å; L262-I297 HydrophobicContact CB-CG1 4Å; L262-I297 HydrophobicContact CB-CG2 4.37Å; L262-I297 HydrophobicContact CD2-CG1 4.44Å; L262-I297 HydrophobicContact CD2-CG2 4.17Å; I269-I297 HydrophobicContact CD1-CG2 3.38Å; I269-I297 HydrophobicContact CG1-CG2 4.13Å; I297-L305 HydrophobicContact CB-CD1 4.27Å; I297-W306 WeakPolarHBondContact CA-O 3.4Å; I297-V307 HydrophobicContact CG2-CG1 4.32Å; I297-V307 HydrophobicContact CG2-CG2 4.36Å
298G96.6Very high94Very high8 Ų834 Ų348%0.08217%0.173CC..EExtended strand (participates in β ladder)trans-170.2150.3174.600000112.8W306G298-W306 PolarHBondContact N-O 3.19Å; G298-W306 VanDerWaalsContact N-O 3.1Å; G298-W306 PolarHBondContact O-N 2.81Å
299F96Very high93.9Very high20 Ų2033.3 Ų33.39%0.08817%0.169CC..EExtended strand (participates in β ladder)trans-92.8139175.8-75-79.3000111.3F6 S252 D258 A260 M271 R304 L305 W326F6-F299 WeakPolarHBondContact CD2-O 3.09Å; S252-F299 WeakPolarHBondContact O-CD2 3.3Å; D258-F299 HydrophobicContact CB-CZ 4.38Å; A260-F299 HydrophobicContact CB-CE2 3.91Å; A260-F299 HydrophobicContact CB-CZ 4.17Å; M271-F299 HydrophobicContact CE-CZ 4.02Å; F299-R304 WeakPolarHBondContact CA-O 3.26Å; F299-L305 HydrophobicContact CD1-CB 4.13Å; F299-L305 HydrophobicContact CD1-CD1 4.42Å; F299-L305 HydrophobicContact CD2-CD1 4.36Å; F299-L305 HydrophobicContact CE1-CB 3.68Å; F299-L305 HydrophobicContact CE1-CD1 4.12Å; F299-L305 HydrophobicContact CE1-CG 4.47Å; F299-L305 HydrophobicContact CE2-CD1 4.08Å; F299-L305 HydrophobicContact CZ-CB 4.23Å; F299-L305 HydrophobicContact CZ-CD1 3.96Å; F299-W326 AromaticContact CE1-CH2 3.55Å; F299-W326 HydrophobicContact CE1-CH2 3.55Å; F299-W326 HydrophobicContact CE1-CZ2 4.46Å; F299-W326 AromaticContact CE1-CZ3 4Å; F299-W326 HydrophobicContact CE1-CZ3 4Å; F299-W326 HydrophobicContact CZ-CH2 4.03Å
300D93.7Very high93.6Very high7 Ų729.8 Ų29.84%0.03715%0.154CC..  trans-81.317516672.312.7000112.1F6 P254 K302 G303 R304 W306F6-D300 HydrophobicContact CD1-CB 3.94Å; F6-D300 HydrophobicContact CD2-CB 4.35Å; F6-D300 HydrophobicContact CE1-CB 3.74Å; F6-D300 HydrophobicContact CE2-CB 4.18Å; F6-D300 HydrophobicContact CG-CB 4.25Å; F6-D300 HydrophobicContact CZ-CB 3.9Å; P254-D300 WeakPolarHBondContact CG-O 3.45Å; D300-K302 PolarHBondContact O-N 3.14Å; D300-K302 VanDerWaalsContact O-N 3.08Å; D300-K302 WeakPolarHBondContact OD1-CA 3.23Å; D300-K302 WeakPolarHBondContact OD1-CB 3.25Å; D300-K302 PolarHBondContact OD1-N 3.43Å; D300-G303 PolarHBondContact O-N 2.68Å; D300-G303 PolarHBondContact OD1-N 2.85Å; D300-G303 VanDerWaalsContact OD1-N 3.08Å; D300-R304 PolarHBondContact N-O 3.13Å; D300-R304 PolarHBondContact OD1-N 2.9Å; D300-R304 IonicContact OD1-NE 3.39Å; D300-R304 IonicContact OD2-CZ 3.26Å; D300-R304 IonicContact OD2-NE 2.84Å; D300-R304 PolarHBondContact OD2-NE 3.24Å; D300-R304 IonicContact OD2-NH2 2.76Å; D300-R304 PolarHBondContact OD2-NH2 2.94Å; D300-W306 PolarHBondContact OD2-NE1 2.92Å
301T90.6Very high93.3Very high79 Ų7930.1 Ų30.149%0.48516%0.158SC..THydrogen-bonded Turntrans-61.2-17.3-179.956.80000114.1
302K91.6Very high92.9Very high115 Ų11526.1 Ų26.150%0.514%0.142SC..THydrogen-bonded Turntrans-93.2-2.6177.1-58175.4-171.6164.50112.4D300 R304 D334D300-K302 PolarHBondContact O-N 3.14Å; D300-K302 VanDerWaalsContact O-N 3.08Å; D300-K302 WeakPolarHBondContact OD1-CA 3.23Å; D300-K302 WeakPolarHBondContact OD1-CB 3.25Å; D300-K302 PolarHBondContact OD1-N 3.43Å; K302-R304 HydrophobicContact CB-CG 4.39Å; K302-D334 IonicContact NZ-OD2 2.99Å
303G93.6Very high92.7Very high19 Ų1928.3 Ų28.320%0.19616%0.157CC..  trans77.419.7-176.300000114D300D300-G303 PolarHBondContact O-N 2.68Å; D300-G303 PolarHBondContact OD1-N 2.85Å; D300-G303 VanDerWaalsContact OD1-N 3.08Å
304R95.3Very high92.6Very high20 Ų2029.5 Ų29.58%0.07517%0.167CC..PPolyproline II helixtrans-81.8134.6169.4-55.1180-65.4-175.1-4.2108.8F299 D300 K302 I318 T320 N332 D334F299-R304 WeakPolarHBondContact CA-O 3.26Å; D300-R304 PolarHBondContact N-O 3.13Å; D300-R304 PolarHBondContact OD1-N 2.9Å; D300-R304 IonicContact OD1-NE 3.39Å; D300-R304 IonicContact OD2-CZ 3.26Å; D300-R304 IonicContact OD2-NE 2.84Å; D300-R304 PolarHBondContact OD2-NE 3.24Å; D300-R304 IonicContact OD2-NH2 2.76Å; D300-R304 PolarHBondContact OD2-NH2 2.94Å; K302-R304 HydrophobicContact CB-CG 4.39Å; R304-I318 HydrophobicContact CB-CG2 3.73Å; R304-I318 HydrophobicContact CG-CG2 4.38Å; R304-T320 HydrophobicContact CG-CG2 4.42Å; R304-N332 PolarHBondContact NH1-ND2 2.86Å; R304-N332 PolarHBondContact NH1-OD1 2.85Å; R304-D334 IonicContact CZ-OD2 3.96Å; R304-D334 VanDerWaalsContact CZ-OD2 3.26Å; R304-D334 IonicContact NH1-OD2 3.73Å; R304-D334 PolarHBondContact NH1-OD2 2.82Å; R304-D334 IonicContact NH2-OD2 2.72Å; R304-D334 PolarHBondContact NH2-OD2 2.88Å
305L97.4Very high92.5Very high0 Ų029.3 Ų29.30%017%0.166CC..EExtended strand (participates in β ladder)trans-84117.4177.1178.566.1000109.3A260 I269 M271 L288 I297 F299 V307 I318 H319 W326A260-L305 HydrophobicContact CB-CD1 3.79Å; A260-L305 HydrophobicContact CB-CD2 4.2Å; I269-L305 HydrophobicContact CG2-CD2 4.44Å; M271-L305 HydrophobicContact CE-CD2 4.05Å; M271-L305 HydrophobicContact SD-CD2 3.84Å; L288-L305 HydrophobicContact CD1-CD2 4.09Å; I297-L305 HydrophobicContact CB-CD1 4.27Å; F299-L305 HydrophobicContact CD1-CB 4.13Å; F299-L305 HydrophobicContact CD1-CD1 4.42Å; F299-L305 HydrophobicContact CD2-CD1 4.36Å; F299-L305 HydrophobicContact CE1-CB 3.68Å; F299-L305 HydrophobicContact CE1-CD1 4.12Å; F299-L305 HydrophobicContact CE1-CG 4.47Å; F299-L305 HydrophobicContact CE2-CD1 4.08Å; F299-L305 HydrophobicContact CZ-CB 4.23Å; F299-L305 HydrophobicContact CZ-CD1 3.96Å; L305-V307 HydrophobicContact CD2-CG2 4.26Å; L305-V307 HydrophobicContact CG-CG2 4.09Å; L305-I318 CarbonylContact O-C 3.5Å; L305-I318 WeakPolarHBondContact O-CA 3.49Å; L305-H319 HydrophobicContact CB-CB 4.29Å; L305-H319 PolarHBondContact N-O 3.22Å; L305-H319 PolarHBondContact O-N 3.38Å; L305-W326 HydrophobicContact CB-CE3 4.4Å; L305-W326 HydrophobicContact CB-CZ3 3.91Å
306W97.5Very high92.6Very high0 Ų028.2 Ų28.20%016%0.161CC..EExtended strand (participates in β ladder)trans-95.9137171.8-67.864.8000109.5L4 F6 F11 T24 I297 G298 D300 L316 Q317 I318 D334 V338L4-W306 HydrophobicContact CD1-CB 4.32Å; F6-W306 HydrophobicContact CE1-CD2 4.21Å; F6-W306 AromaticContact CE1-CE2 3.97Å; F6-W306 HydrophobicContact CE1-CG 4.4Å; F6-W306 HydrophobicContact CE1-CZ2 4.35Å; F6-W306 HydrophobicContact CE2-CB 4.25Å; F6-W306 HydrophobicContact CE2-CG 4.13Å; F6-W306 HydrophobicContact CZ-CB 3.94Å; F6-W306 AromaticContact CZ-CD1 3.43Å; F6-W306 VanDerWaalsContact CZ-CD1 3.43Å; F6-W306 AromaticContact CZ-CD2 3.63Å; F6-W306 HydrophobicContact CZ-CD2 3.63Å; F6-W306 AromaticContact CZ-CE2 3.76Å; F6-W306 HydrophobicContact CZ-CE3 4.33Å; F6-W306 AromaticContact CZ-CG 3.43Å; F6-W306 HydrophobicContact CZ-CG 3.43Å; F6-W306 VanDerWaalsContact CZ-CG 3.43Å; F6-W306 AromaticContact CZ-NE1 3.65Å; F11-W306 HydrophobicContact CD2-CD2 4.34Å; F11-W306 AromaticContact CD2-CE3 3.72Å; F11-W306 HydrophobicContact CD2-CE3 3.72Å; F11-W306 AromaticContact CD2-CZ3 3.88Å; F11-W306 HydrophobicContact CD2-CZ3 3.88Å; F11-W306 AromaticContact CE2-CE3 3.78Å; F11-W306 HydrophobicContact CE2-CE3 3.78Å; F11-W306 HydrophobicContact CE2-CZ3 4.25Å; F11-W306 HydrophobicContact CG-CZ3 4.48Å; T24-W306 HydrophobicContact CG2-CH2 4.26Å; T24-W306 HydrophobicContact CG2-CZ2 4.47Å; I297-W306 WeakPolarHBondContact CA-O 3.4Å; G298-W306 PolarHBondContact N-O 3.19Å; G298-W306 VanDerWaalsContact N-O 3.1Å; G298-W306 PolarHBondContact O-N 2.81Å; D300-W306 PolarHBondContact OD2-NE1 2.92Å; W306-L316 HydrophobicContact CE3-CD1 4.2Å; W306-L316 HydrophobicContact CE3-CD2 3.49Å; W306-L316 VanDerWaalsContact CE3-CD2 3.49Å; W306-L316 HydrophobicContact CE3-CG 3.93Å; W306-L316 HydrophobicContact CZ3-CD2 3.43Å; W306-L316 VanDerWaalsContact CZ3-CD2 3.43Å; W306-L316 HydrophobicContact CZ3-CG 4.31Å; W306-Q317 WeakPolarHBondContact CA-O 3.5Å; W306-I318 HydrophobicContact CD2-CD1 3.78Å; W306-I318 HydrophobicContact CD2-CG1 3.65Å; W306-I318 HydrophobicContact CE3-CD1 4.05Å; W306-I318 HydrophobicContact CE3-CG1 3.95Å; W306-I318 HydrophobicContact CG-CG1 4.07Å; W306-I318 HydrophobicContact CH2-CD1 3.65Å; W306-I318 HydrophobicContact CH2-CG1 4.45Å; W306-I318 HydrophobicContact CZ2-CD1 3.33Å; W306-I318 HydrophobicContact CZ2-CG1 4.19Å; W306-I318 HydrophobicContact CZ3-CD1 3.99Å; W306-I318 HydrophobicContact CZ3-CG1 4.34Å; W306-D334 HydrophobicContact CH2-CB 4.18Å; W306-D334 HydrophobicContact CZ2-CB 4.26Å; W306-V338 HydrophobicContact CH2-CB 4.43Å; W306-V338 HydrophobicContact CH2-CG2 3.98Å; W306-V338 HydrophobicContact CZ3-CB 4.06Å; W306-V338 HydrophobicContact CZ3-CG1 4.15Å; W306-V338 HydrophobicContact CZ3-CG2 4.03Å
307V97.1Very high92.6Very high0 Ų030.2 Ų30.20%017%0.17CC..EExtended strand (participates in β ladder)trans-127.2114.4-177-173.80000108.7I269 F290 P294 I297 L305 L309 L316 Q317I269-V307 HydrophobicContact CD1-CB 4.36Å; I269-V307 HydrophobicContact CD1-CG1 3.75Å; I269-V307 HydrophobicContact CD1-CG2 3.62Å; F290-V307 HydrophobicContact CD1-CG1 4.39Å; F290-V307 HydrophobicContact CE1-CB 4.17Å; F290-V307 HydrophobicContact CE1-CG1 3.94Å; F290-V307 HydrophobicContact CE1-CG2 4.07Å; F290-V307 HydrophobicContact CZ-CB 4.43Å; F290-V307 HydrophobicContact CZ-CG1 4.15Å; F290-V307 HydrophobicContact CZ-CG2 3.9Å; P294-V307 HydrophobicContact CB-CG1 3.82Å; P294-V307 HydrophobicContact CG-CG1 4.28Å; I297-V307 HydrophobicContact CG2-CG1 4.32Å; I297-V307 HydrophobicContact CG2-CG2 4.36Å; L305-V307 HydrophobicContact CD2-CG2 4.26Å; L305-V307 HydrophobicContact CG-CG2 4.09Å; V307-L309 HydrophobicContact CG1-CD2 3.78Å; V307-L309 HydrophobicContact CG1-CG 4.32Å; V307-L316 WeakPolarHBondContact O-CA 3.37Å; V307-Q317 PolarHBondContact N-O 2.89Å; V307-Q317 PolarHBondContact O-N 2.67Å
308L94.6Very high92.6Very high2 Ų230.2 Ų30.21%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-83.3127.7172.5-176.771.3000108.5A2 L4 P294 M295 D296 P315 L316A2-L308 HydrophobicContact CB-CD2 3.99Å; L4-L308 HydrophobicContact CD2-CB 3.79Å; P294-L308 CarbonylContact C-O 3.3Å; P294-L308 WeakPolarHBondContact CA-O 3.27Å; M295-L308 HydrophobicContact CB-CD2 4.37Å; M295-L308 HydrophobicContact CB-CG 4.4Å; M295-L308 PolarHBondContact N-O 3.34Å; D296-L308 HydrophobicContact CB-CB 4.41Å; D296-L308 HydrophobicContact CB-CD2 4.47Å; D296-L308 PolarHBondContact N-O 3.1Å; D296-L308 PolarHBondContact O-N 2.79Å; L308-P315 WeakPolarHBondContact CD1-O 3.23Å; L308-L316 HydrophobicContact CB-CD1 4.45Å; L308-L316 HydrophobicContact CD1-CD1 4.29Å
309L92.8Very high92.6Very high1 Ų130.5 Ų30.51%0.00517%0.17CC..EExtended strand (participates in β ladder)trans-115.4148-173.4-63172.9000111.4F290 H292 R293 P294 V307 S311 V314 P315 Q317F290-L309 HydrophobicContact CB-CD2 4.29Å; F290-L309 HydrophobicContact CD1-CD2 3.87Å; F290-L309 HydrophobicContact CG-CD2 4.24Å; H292-L309 HydrophobicContact CB-CB 4.24Å; R293-L309 WeakPolarHBondContact O-CA 3.39Å; P294-L309 HydrophobicContact CB-CD2 4.34Å; P294-L309 HydrophobicContact CG-CD2 4.17Å; V307-L309 HydrophobicContact CG1-CD2 3.78Å; V307-L309 HydrophobicContact CG1-CG 4.32Å; L309-S311 PolarHBondContact O-N 3.11Å; L309-V314 WeakPolarHBondContact CB-O 3.1Å; L309-V314 HydrophobicContact CD1-CG1 4.34Å; L309-V314 WeakPolarHBondContact CD1-O 3.38Å; L309-P315 PolarHBondContact N-O 2.86Å; L309-Q317 HydrophobicContact CD1-CB 4.42Å; L309-Q317 HydrophobicContact CD1-CG 3.7Å
310D87.8Confident92.5Very high58 Ų5830.7 Ų30.731%0.3117%0.172SC..SBendtrans-77.169.4171.2-168.117.6000110.7R293 M295R293-D310 HydrophobicContact CB-CB 4.21Å; R293-D310 PolarHBondContact O-N 3.04Å; M295-D310 HydrophobicContact CG-CB 3.82Å; M295-D310 HydrophobicContact SD-CB 3.96Å
311S87.2Confident92.5Very high12 Ų1233.6 Ų33.68%0.08419%0.185CC..  trans-156.9126.1178.9179.10000110.6H292 L309 D313 V314 P315H292-S311 PolarHBondContact NE2-OG 3.18Å; L309-S311 PolarHBondContact O-N 3.11Å; S311-D313 PolarHBondContact O-N 2.81Å; S311-D313 PolarHBondContact OG-N 2.77Å; S311-V314 CarbonylContact O-C 3.48Å; S311-V314 PolarHBondContact OG-N 3.36Å; S311-P315 WeakPolarHBondContact O-CA 3.46Å; S311-P315 WeakPolarHBondContact O-CB 3.44Å; S311-P315 VanDerWaalsContact O-N 3.17Å
312S81.8Confident92.5Very high72 Ų7235.5 Ų35.550%0.50318%0.183SC..SBendtrans-66.5-30.5172.553.70000112.4
313D85.4Confident92.2Very high115 Ų11539.5 Ų39.562%0.61520%0.2SC*.SBendtrans-80.2-41.2-175.7-64.1-21.6000111S311 R343S311-D313 PolarHBondContact O-N 2.81Å; S311-D313 PolarHBondContact OG-N 2.77Å; D313-R343 PolarHBondContact O-NH2 3.24Å
314V89Confident91.9Very high57 Ų5744.3 Ų44.335%0.34522%0.222SC..SBendtrans-130.875.5177.7-170.70000108.7L309 S311 L316 Q317L309-V314 WeakPolarHBondContact CB-O 3.1Å; L309-V314 HydrophobicContact CD1-CG1 4.34Å; L309-V314 WeakPolarHBondContact CD1-O 3.38Å; S311-V314 CarbonylContact O-C 3.48Å; S311-V314 PolarHBondContact OG-N 3.36Å; V314-L316 VanDerWaalsContact C-N 3.25Å; V314-L316 PolarHBondContact O-N 2.91Å; V314-Q317 HydrophobicContact CG1-CG 4.08Å
315P90.6Very high91.8Very high2 Ų245.6 Ų45.61%0.01323%0.234CC..  trans-74.4-16.8-174.129.6-35.9000113L308 L309 S311 T339 R343L308-P315 WeakPolarHBondContact CD1-O 3.23Å; L309-P315 PolarHBondContact N-O 2.86Å; S311-P315 WeakPolarHBondContact O-CA 3.46Å; S311-P315 WeakPolarHBondContact O-CB 3.44Å; S311-P315 VanDerWaalsContact O-N 3.17Å; P315-T339 HydrophobicContact CG-CG2 3.93Å; P315-R343 HydrophobicContact CG-CG 4.28Å
316L94.1Very high91.7Very high5 Ų546.6 Ų46.63%0.02624%0.237CC..EExtended strand (participates in β ladder)trans-145.4141-171.6-158.565.3000111.2F11 W306 V307 L308 V314 L335 V338 L342F11-L316 HydrophobicContact CE2-CD1 4.06Å; F11-L316 HydrophobicContact CE2-CD2 4.25Å; F11-L316 HydrophobicContact CZ-CD1 3.97Å; F11-L316 HydrophobicContact CZ-CD2 4.22Å; W306-L316 HydrophobicContact CE3-CD1 4.2Å; W306-L316 HydrophobicContact CE3-CD2 3.49Å; W306-L316 VanDerWaalsContact CE3-CD2 3.49Å; W306-L316 HydrophobicContact CE3-CG 3.93Å; W306-L316 HydrophobicContact CZ3-CD2 3.43Å; W306-L316 VanDerWaalsContact CZ3-CD2 3.43Å; W306-L316 HydrophobicContact CZ3-CG 4.31Å; V307-L316 WeakPolarHBondContact O-CA 3.37Å; L308-L316 HydrophobicContact CB-CD1 4.45Å; L308-L316 HydrophobicContact CD1-CD1 4.29Å; V314-L316 VanDerWaalsContact C-N 3.25Å; V314-L316 PolarHBondContact O-N 2.91Å; L316-L335 HydrophobicContact CB-CD1 3.84Å; L316-L335 HydrophobicContact CD2-CD1 3.91Å; L316-L335 HydrophobicContact CG-CD1 3.85Å; L316-V338 HydrophobicContact CD2-CB 4.13Å; L316-V338 HydrophobicContact CD2-CG1 3.58Å; L316-L342 HydrophobicContact CD2-CD1 4.11Å
317Q95.6Very high91.5Very high42 Ų4250.4 Ų50.420%0.19626%0.255CS..EExtended strand (participates in β ladder)trans-134.7150.8170.3-71-175.7-2.700110.4W306 V307 L309 V314W306-Q317 WeakPolarHBondContact CA-O 3.5Å; V307-Q317 PolarHBondContact N-O 2.89Å; V307-Q317 PolarHBondContact O-N 2.67Å; L309-Q317 HydrophobicContact CD1-CB 4.42Å; L309-Q317 HydrophobicContact CD1-CG 3.7Å; V314-Q317 HydrophobicContact CG1-CG 4.08Å
318I96.3Very high91.4Very high0 Ų053 Ų530%027%0.273CS..EExtended strand (participates in β ladder)trans-116.8131.3172.3-62.5-179.1000108.5R304 L305 W306 C328 D329 N332 L335R304-I318 HydrophobicContact CB-CG2 3.73Å; R304-I318 HydrophobicContact CG-CG2 4.38Å; L305-I318 CarbonylContact O-C 3.5Å; L305-I318 WeakPolarHBondContact O-CA 3.49Å; W306-I318 HydrophobicContact CD2-CD1 3.78Å; W306-I318 HydrophobicContact CD2-CG1 3.65Å; W306-I318 HydrophobicContact CE3-CD1 4.05Å; W306-I318 HydrophobicContact CE3-CG1 3.95Å; W306-I318 HydrophobicContact CG-CG1 4.07Å; W306-I318 HydrophobicContact CH2-CD1 3.65Å; W306-I318 HydrophobicContact CH2-CG1 4.45Å; W306-I318 HydrophobicContact CZ2-CD1 3.33Å; W306-I318 HydrophobicContact CZ2-CG1 4.19Å; W306-I318 HydrophobicContact CZ3-CD1 3.99Å; W306-I318 HydrophobicContact CZ3-CG1 4.34Å; I318-C328 CarbonylContact O-C 3.59Å; I318-C328 WeakPolarHBondContact O-CA 3.35Å; I318-D329 HydrophobicContact CB-CB 4.45Å; I318-D329 HydrophobicContact CG2-CB 4.37Å; I318-D329 PolarHBondContact O-N 3.22Å; I318-N332 HydrophobicContact CD1-CB 4.45Å; I318-L335 HydrophobicContact CD1-CB 3.69Å; I318-L335 HydrophobicContact CD1-CD1 4.48Å; I318-L335 HydrophobicContact CG1-CB 4.19Å; I318-L335 HydrophobicContact CG1-CD1 4.17Å; I318-L335 HydrophobicContact CG1-CD2 4.44Å; I318-L335 HydrophobicContact CG1-CG 4.49Å
319H96.6Very high91.2Very high15 Ų1554.2 Ų54.27%0.06928%0.279CS..EExtended strand (participates in β ladder)trans-114.4132.9170.9-69.8-109.1000110L288 F290 L305 W326 E327L288-H319 HydrophobicContact CD1-CB 4.44Å; F290-H319 AromaticContact CE1-NE2 3.3Å; F290-H319 VanDerWaalsContact CE1-NE2 3.3Å; F290-H319 WeakPolarHBondContact CE1-NE2 3.2Å; F290-H319 AromaticContact CZ-NE2 3.61Å; L305-H319 HydrophobicContact CB-CB 4.29Å; L305-H319 PolarHBondContact N-O 3.22Å; L305-H319 PolarHBondContact O-N 3.38Å; H319-W326 HydrophobicContact CB-CE3 4.09Å; H319-E327 CarbonylContact C-O 3.59Å; H319-E327 VanDerWaalsContact CA-O 3.26Å; H319-E327 WeakPolarHBondContact CA-O 3.48Å
320T94.8Very high90.8Very high23 Ų2359 Ų5914%0.14131%0.309CS..EExtended strand (participates in β ladder)trans-120.2139.4178.2-55.70000109.7R304 R322 E327R304-T320 HydrophobicContact CG-CG2 4.42Å; T320-R322 HydrophobicContact CG2-CG 4.03Å; T320-R322 PolarHBondContact O-N 2.78Å; T320-E327 PolarHBondContact N-O 2.83Å; T320-E327 PolarHBondContact O-N 3Å
321F92.9Very high90.7Very high69 Ų6963.4 Ų63.430%0.30333%0.327SS..EExtended strand (participates in β ladder)trans-76.6113.1173-167.5-111.9000110.9H285 N324 S325 W326H285-F321 AromaticContact CE1-CE2 3.66Å; H285-F321 AromaticContact NE2-CE2 3.45Å; H285-F321 WeakPolarHBondContact NE2-CE2 3.25Å; F321-N324 VanDerWaalsContact CE2-C 3.5Å; F321-N324 VanDerWaalsContact CZ-CA 3.47Å; F321-N324 HydrophobicContact CZ-CB 4.49Å; F321-S325 WeakPolarHBondContact CA-O 3.41Å; F321-W326 HydrophobicContact CB-CD2 4.17Å; F321-W326 HydrophobicContact CB-CE3 4.26Å; F321-W326 HydrophobicContact CB-CH2 3.94Å; F321-W326 HydrophobicContact CB-CZ2 3.88Å; F321-W326 HydrophobicContact CB-CZ3 4.16Å; F321-W326 AromaticContact CD2-CD1 3.7Å; F321-W326 HydrophobicContact CD2-CD2 4.07Å; F321-W326 AromaticContact CD2-CE2 3.68Å; F321-W326 HydrophobicContact CD2-CG 4.04Å; F321-W326 HydrophobicContact CD2-CZ2 4.2Å; F321-W326 AromaticContact CD2-NE1 3.46Å; F321-W326 AromaticContact CE2-NE1 3.97Å; F321-W326 HydrophobicContact CG-CZ2 4.31Å
322R90.2Very high90.8Very high119 Ų11963.9 Ų63.945%0.44933%0.329SS..EExtended strand (participates in β ladder)trans-135.4138.9178.9-60.8-175.6-175.3-170.98109.3T320 N324 S325 D329T320-R322 HydrophobicContact CG2-CG 4.03Å; T320-R322 PolarHBondContact O-N 2.78Å; R322-N324 PolarHBondContact O-N 2.94Å; R322-S325 PolarHBondContact N-O 2.87Å; R322-S325 PolarHBondContact O-N 3.08Å; R322-S325 PolarHBondContact O-OG 3.08Å; R322-D329 IonicContact NH2-OD1 3.87Å; R322-D329 IonicContact NH2-OD2 2.75Å; R322-D329 PolarHBondContact NH2-OD2 3.05Å
323K85.6Confident91.2Very high199 Ų19965.7 Ų65.787%0.86533%0.333SS*.THydrogen-bonded Turntrans48.639.7174.5-58.4177.9-178.31720114.3S325K323-S325 VanDerWaalsContact C-N 3.33Å
324N87.3Confident91.5Very high120 Ų12061.2 Ų61.264%0.64231%0.309SS*.THydrogen-bonded Turntrans70.719.7-179.9-157.153.8000115.7H285 F321 R322H285-N324 PolarHBondContact CE1-O 3.42Å; F321-N324 VanDerWaalsContact CE2-C 3.5Å; F321-N324 VanDerWaalsContact CZ-CA 3.47Å; F321-N324 HydrophobicContact CZ-CB 4.49Å; R322-N324 PolarHBondContact O-N 2.94Å
325S93.3Very high91.7Very high47 Ų4759.3 Ų59.333%0.32930%0.297SS..EExtended strand (participates in β ladder)trans-141.7155.4174.249.80000111.8F321 R322 K323F321-S325 WeakPolarHBondContact CA-O 3.41Å; R322-S325 PolarHBondContact N-O 2.87Å; R322-S325 PolarHBondContact O-N 3.08Å; R322-S325 PolarHBondContact O-OG 3.08Å; K323-S325 VanDerWaalsContact C-N 3.33Å
326W94.9Very high91.8Very high21 Ų2165.6 Ų65.68%0.0832%0.32CS..EExtended strand (participates in β ladder)trans-87.4117.3172.6-74.491.8000110D258 M271 H285 L288 F299 L305 H319 F321D258-W326 HydrophobicContact CB-CH2 4.4Å; D258-W326 HydrophobicContact CB-CZ2 3.87Å; M271-W326 HydrophobicContact CE-CD2 3.87Å; M271-W326 HydrophobicContact CE-CE3 4.29Å; M271-W326 HydrophobicContact CE-CH2 3.97Å; M271-W326 HydrophobicContact CE-CZ2 3.46Å; M271-W326 VanDerWaalsContact CE-CZ2 3.46Å; M271-W326 HydrophobicContact CE-CZ3 4.34Å; M271-W326 HydrophobicContact CG-CG 4.3Å; H285-W326 AromaticContact CD2-CD1 3.65Å; H285-W326 AromaticContact CD2-NE1 3.83Å; H285-W326 AromaticContact NE2-CD1 3.88Å; L288-W326 HydrophobicContact CD1-CB 4.2Å; L288-W326 HydrophobicContact CD2-CB 3.74Å; F299-W326 AromaticContact CE1-CH2 3.55Å; F299-W326 HydrophobicContact CE1-CH2 3.55Å; F299-W326 HydrophobicContact CE1-CZ2 4.46Å; F299-W326 AromaticContact CE1-CZ3 4Å; F299-W326 HydrophobicContact CE1-CZ3 4Å; F299-W326 HydrophobicContact CZ-CH2 4.03Å; L305-W326 HydrophobicContact CB-CE3 4.4Å; L305-W326 HydrophobicContact CB-CZ3 3.91Å; H319-W326 HydrophobicContact CB-CE3 4.09Å; F321-W326 HydrophobicContact CB-CD2 4.17Å; F321-W326 HydrophobicContact CB-CE3 4.26Å; F321-W326 HydrophobicContact CB-CH2 3.94Å; F321-W326 HydrophobicContact CB-CZ2 3.88Å; F321-W326 HydrophobicContact CB-CZ3 4.16Å; F321-W326 AromaticContact CD2-CD1 3.7Å; F321-W326 HydrophobicContact CD2-CD2 4.07Å; F321-W326 AromaticContact CD2-CE2 3.68Å; F321-W326 HydrophobicContact CD2-CG 4.04Å; F321-W326 HydrophobicContact CD2-CZ2 4.2Å; F321-W326 AromaticContact CD2-NE1 3.46Å; F321-W326 AromaticContact CE2-NE1 3.97Å; F321-W326 HydrophobicContact CG-CZ2 4.31Å
327E94.2Very high91.7Very high79 Ų7969 Ų6937%0.36933%0.333SS..EExtended strand (participates in β ladder)trans-114.3140.4-177.4-64.1176.3177.200110.2H319 T320H319-E327 CarbonylContact C-O 3.59Å; H319-E327 VanDerWaalsContact CA-O 3.26Å; H319-E327 WeakPolarHBondContact CA-O 3.48Å; T320-E327 PolarHBondContact N-O 2.83Å; T320-E327 PolarHBondContact O-N 3Å
328C94.1Very high91.6Very high56 Ų5667 Ų6738%0.37832%0.324SS..EExtended strand (participates in β ladder)trans-74.6128.8174.8-174.50000110.2I318I318-C328 CarbonylContact O-C 3.59Å; I318-C328 WeakPolarHBondContact O-CA 3.35Å
329D91.1Very high91.4Very high26 Ų2667.7 Ų67.714%0.13933%0.328CS..  trans-99.787.1-177.7-161.94.1000110.2I318 R322 N332 L335I318-D329 HydrophobicContact CB-CB 4.45Å; I318-D329 HydrophobicContact CG2-CB 4.37Å; I318-D329 PolarHBondContact O-N 3.22Å; R322-D329 IonicContact NH2-OD1 3.87Å; R322-D329 IonicContact NH2-OD2 2.75Å; R322-D329 PolarHBondContact NH2-OD2 3.05Å; D329-N332 HydrophobicContact CB-CB 4.48Å; D329-N332 PolarHBondContact OD2-ND2 3.28Å; D329-L335 WeakPolarHBondContact O-CD2 3.38Å
330T85Confident91.1Very high102 Ų10273.5 Ų73.563%0.62636%0.355SS*.THydrogen-bonded Turntrans-80.1-19-174.353.80000114
331E85Confident90.8Very high150 Ų15073.9 Ų73.970%0.70136%0.356SS*.THydrogen-bonded Turntrans-102.417.6-176-63.4-171.7169.200113.1D333E331-D333 PolarHBondContact O-N 2.86Å
332N89.4Confident90.6Very high22 Ų2270.8 Ų70.812%0.11834%0.342CS..  trans-78.7122.9-176.1-158-67.5000112.5R304 I318 D329 D334 L335 R336R304-N332 PolarHBondContact NH1-ND2 2.86Å; R304-N332 PolarHBondContact NH1-OD1 2.85Å; I318-N332 HydrophobicContact CD1-CB 4.45Å; D329-N332 HydrophobicContact CB-CB 4.48Å; D329-N332 PolarHBondContact OD2-ND2 3.28Å; N332-D334 VanDerWaalsContact C-N 3.32Å; N332-D334 PolarHBondContact O-N 3Å; N332-D334 VanDerWaalsContact OD1-CB 3.26Å; N332-D334 WeakPolarHBondContact OD1-CB 3.24Å; N332-D334 PolarHBondContact OD1-N 3.42Å; N332-L335 HydrophobicContact CB-CB 3.92Å; N332-L335 WeakPolarHBondContact O-CB 3.14Å; N332-L335 PolarHBondContact O-N 2.92Å; N332-R336 PolarHBondContact O-N 2.82Å
333D90Very high90.4Very high110 Ų11071 Ų7159%0.58834%0.343SS*.Hα-helixtrans-64.9-34.4178.6-70.4-31.3000112.8E331 L335 R336 R337E331-D333 PolarHBondContact O-N 2.86Å; D333-L335 VanDerWaalsContact C-N 3.32Å; D333-L335 PolarHBondContact O-N 2.97Å; D333-R336 PolarHBondContact O-N 2.81Å; D333-R336 IonicContact OD1-NH1 2.78Å; D333-R337 WeakPolarHBondContact O-CB 3.4Å; D333-R337 PolarHBondContact O-N 2.78Å
334D92.4Very high90.4Very high21 Ų2165.1 Ų65.111%0.11232%0.324CS..Hα-helixtrans-62.4-42.8175.4-55.6-25.3000109.7K302 R304 W306 N332 V338K302-D334 IonicContact NZ-OD2 2.99Å; R304-D334 IonicContact CZ-OD2 3.96Å; R304-D334 VanDerWaalsContact CZ-OD2 3.26Å; R304-D334 IonicContact NH1-OD2 3.73Å; R304-D334 PolarHBondContact NH1-OD2 2.82Å; R304-D334 IonicContact NH2-OD2 2.72Å; R304-D334 PolarHBondContact NH2-OD2 2.88Å; W306-D334 HydrophobicContact CH2-CB 4.18Å; W306-D334 HydrophobicContact CZ2-CB 4.26Å; N332-D334 VanDerWaalsContact C-N 3.32Å; N332-D334 PolarHBondContact O-N 3Å; N332-D334 VanDerWaalsContact OD1-CB 3.26Å; N332-D334 WeakPolarHBondContact OD1-CB 3.24Å; N332-D334 PolarHBondContact OD1-N 3.42Å; D334-V338 VanDerWaalsContact O-CG2 3.31Å; D334-V338 WeakPolarHBondContact O-CG2 3.47Å; D334-V338 PolarHBondContact O-N 3.03Å; D334-V338 VanDerWaalsContact O-N 3.11Å
335L93.3Very high89.9Confident17 Ų1761.4 Ų61.49%0.08930%0.303CS..Hα-helixtrans-62.6-48.1177.217557.9000111.4L316 I318 D329 N332 D333 R337 V338 T339L316-L335 HydrophobicContact CB-CD1 3.84Å; L316-L335 HydrophobicContact CD2-CD1 3.91Å; L316-L335 HydrophobicContact CG-CD1 3.85Å; I318-L335 HydrophobicContact CD1-CB 3.69Å; I318-L335 HydrophobicContact CD1-CD1 4.48Å; I318-L335 HydrophobicContact CG1-CB 4.19Å; I318-L335 HydrophobicContact CG1-CD1 4.17Å; I318-L335 HydrophobicContact CG1-CD2 4.44Å; I318-L335 HydrophobicContact CG1-CG 4.49Å; D329-L335 WeakPolarHBondContact O-CD2 3.38Å; N332-L335 HydrophobicContact CB-CB 3.92Å; N332-L335 WeakPolarHBondContact O-CB 3.14Å; N332-L335 PolarHBondContact O-N 2.92Å; D333-L335 VanDerWaalsContact C-N 3.32Å; D333-L335 PolarHBondContact O-N 2.97Å; L335-R337 VanDerWaalsContact C-N 3.35Å; L335-R337 PolarHBondContact O-N 2.86Å; L335-V338 PolarHBondContact O-N 2.86Å; L335-T339 WeakPolarHBondContact CD1-OG1 3.41Å; L335-T339 WeakPolarHBondContact O-CB 3.27Å; L335-T339 PolarHBondContact O-N 2.94Å; L335-T339 PolarHBondContact O-OG1 3.02Å
336R92.1Very high88.9Confident135 Ų13561 Ų6151%0.50929%0.294SS..Hα-helixtrans-58.8-47.5-179.4-72.1176.5-179.2166.5-0.7111.1N332 D333 T339 E340N332-R336 PolarHBondContact O-N 2.82Å; D333-R336 PolarHBondContact O-N 2.81Å; D333-R336 IonicContact OD1-NH1 2.78Å; R336-T339 PolarHBondContact O-N 2.86Å; R336-E340 WeakPolarHBondContact O-CB 3.48Å; R336-E340 PolarHBondContact O-N 2.99Å
337R91.6Very high86.9Confident76 Ų7664.7 Ų64.729%0.28732%0.323SS..Hα-helixtrans-58.1-52.6178.4-177.9-172.9-53-65.82112H23 T24 K25 D333 L335 T339 E340 I341H23-R337 VanDerWaalsContact O-CD 3.23Å; H23-R337 WeakPolarHBondContact O-CD 3.39Å; T24-R337 WeakPolarHBondContact O-CD 3.42Å; T24-R337 PolarHBondContact O-NE 3.34Å; T24-R337 VanDerWaalsContact O-NE 3.14Å; K25-R337 PolarHBondContact O-NE 2.94Å; K25-R337 PolarHBondContact O-NH2 3.2Å; D333-R337 WeakPolarHBondContact O-CB 3.4Å; D333-R337 PolarHBondContact O-N 2.78Å; L335-R337 VanDerWaalsContact C-N 3.35Å; L335-R337 PolarHBondContact O-N 2.86Å; R337-T339 VanDerWaalsContact C-N 3.35Å; R337-E340 PolarHBondContact O-N 3.45Å; R337-I341 HydrophobicContact CG-CD1 4.41Å; R337-I341 PolarHBondContact O-N 3.01Å
338V93.4Very high84.8Confident0 Ų065.5 Ų65.50%033%0.334CS..Hα-helixtrans-65.1-42.1-177.9176.30000110.8F11 V22 T24 W306 L316 D334 L335 E340 I341 L342F11-V338 HydrophobicContact CB-CG1 4.28Å; F11-V338 HydrophobicContact CB-CG2 4.1Å; F11-V338 HydrophobicContact CD1-CG1 3.41Å; F11-V338 VanDerWaalsContact CD1-CG1 3.41Å; F11-V338 HydrophobicContact CD2-CG1 4.31Å; F11-V338 HydrophobicContact CE1-CG1 3.72Å; F11-V338 HydrophobicContact CG-CG1 3.74Å; F11-V338 HydrophobicContact CG-CG2 4.4Å; F11-V338 HydrophobicContact CZ-CG1 4.3Å; V22-V338 HydrophobicContact CB-CG2 4.28Å; V22-V338 HydrophobicContact CG1-CG2 3.96Å; T24-V338 HydrophobicContact CG2-CG2 4.1Å; W306-V338 HydrophobicContact CH2-CB 4.43Å; W306-V338 HydrophobicContact CH2-CG2 3.98Å; W306-V338 HydrophobicContact CZ3-CB 4.06Å; W306-V338 HydrophobicContact CZ3-CG1 4.15Å; W306-V338 HydrophobicContact CZ3-CG2 4.03Å; L316-V338 HydrophobicContact CD2-CB 4.13Å; L316-V338 HydrophobicContact CD2-CG1 3.58Å; D334-V338 VanDerWaalsContact O-CG2 3.31Å; D334-V338 WeakPolarHBondContact O-CG2 3.47Å; D334-V338 PolarHBondContact O-N 3.03Å; D334-V338 VanDerWaalsContact O-N 3.11Å; L335-V338 PolarHBondContact O-N 2.86Å; V338-E340 PolarHBondContact O-N 2.88Å; V338-I341 PolarHBondContact O-N 3.19Å; V338-L342 HydrophobicContact CG1-CD1 3.77Å; V338-L342 HydrophobicContact CG1-CG 4.14Å; V338-L342 WeakPolarHBondContact O-CB 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.39Å; V338-L342 PolarHBondContact O-N 2.81Å
339T92.1Very high82.7Confident14 Ų1464.4 Ų64.49%0.08633%0.325CS..Hα-helixtrans-62.4-43.9179.9-60.20000112.2P315 L335 R336 R337 I341 L342 R343P315-T339 HydrophobicContact CG-CG2 3.93Å; L335-T339 WeakPolarHBondContact CD1-OG1 3.41Å; L335-T339 WeakPolarHBondContact O-CB 3.27Å; L335-T339 PolarHBondContact O-N 2.94Å; L335-T339 PolarHBondContact O-OG1 3.02Å; R336-T339 PolarHBondContact O-N 2.86Å; R337-T339 VanDerWaalsContact C-N 3.35Å; T339-I341 PolarHBondContact O-N 2.95Å; T339-L342 PolarHBondContact O-N 2.94Å; T339-R343 WeakPolarHBondContact O-CG 3.48Å; T339-R343 PolarHBondContact O-N 2.93Å
340E90.3Very high80.2Confident138 Ų13870.4 Ų70.465%0.64536%0.357SS*.Hα-helixtrans-59.3-48177.9-175174.6-168.800111R336 R337 V338 R343 T344R336-E340 WeakPolarHBondContact O-CB 3.48Å; R336-E340 PolarHBondContact O-N 2.99Å; R337-E340 PolarHBondContact O-N 3.45Å; V338-E340 PolarHBondContact O-N 2.88Å; E340-R343 PolarHBondContact O-N 2.85Å; E340-T344 WeakPolarHBondContact O-CG2 3.25Å; E340-T344 PolarHBondContact O-N 2.68Å
341I89.3Confident78.2Confident31 Ų3172 Ų7216%0.15936%0.362CS..Hα-helixtrans-64.9-46.2178.8-69168.3000111.2V22 P30 R337 V338 T339 R343 T344 Q345V22-I341 HydrophobicContact CG1-CB 4.4Å; V22-I341 HydrophobicContact CG1-CD1 3.47Å; V22-I341 VanDerWaalsContact CG1-CD1 3.47Å; V22-I341 HydrophobicContact CG1-CG1 4.5Å; V22-I341 HydrophobicContact CG2-CB 4.2Å; V22-I341 HydrophobicContact CG2-CG2 3.64Å; P30-I341 HydrophobicContact CB-CG2 3.73Å; P30-I341 HydrophobicContact CG-CG2 3.77Å; R337-I341 HydrophobicContact CG-CD1 4.41Å; R337-I341 PolarHBondContact O-N 3.01Å; V338-I341 PolarHBondContact O-N 3.19Å; T339-I341 PolarHBondContact O-N 2.95Å; I341-R343 VanDerWaalsContact C-N 3.31Å; I341-R343 PolarHBondContact O-N 2.88Å; I341-T344 PolarHBondContact O-N 3.07Å; I341-T344 VanDerWaalsContact O-N 3.12Å; I341-T344 PolarHBondContact O-OG1 3.21Å; I341-Q345 PolarHBondContact O-N 2.71Å
342L87.4Confident76.3Confident3 Ų368.6 Ų68.62%0.01635%0.345CS..Hα-helixtrans-58.8-41.6179.1-76.2175.7000112.2F11 I20 L316 V338 T339 T344 Q345 W346F11-L342 HydrophobicContact CE1-CD1 3.82Å; F11-L342 HydrophobicContact CE1-CD2 4.28Å; F11-L342 HydrophobicContact CE1-CG 4.43Å; F11-L342 HydrophobicContact CZ-CD1 4.23Å; I20-L342 HydrophobicContact CD1-CD2 4.42Å; I20-L342 HydrophobicContact CG2-CD2 4.35Å; L316-L342 HydrophobicContact CD2-CD1 4.11Å; V338-L342 HydrophobicContact CG1-CD1 3.77Å; V338-L342 HydrophobicContact CG1-CG 4.14Å; V338-L342 WeakPolarHBondContact O-CB 3.3Å; V338-L342 WeakPolarHBondContact O-CG 3.39Å; V338-L342 PolarHBondContact O-N 2.81Å; T339-L342 PolarHBondContact O-N 2.94Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 2.95Å; L342-Q345 PolarHBondContact O-N 2.95Å; L342-W346 PolarHBondContact O-N 3.08Å
343R87.3Confident73.9Confident123 Ų12372.8 Ų72.846%0.46437%0.372SS..Hα-helixtrans-60.2-37177-75.6-179.5-177.1149.11.4112.7D313 P315 T339 E340 I341 Q345 W346 S347D313-R343 PolarHBondContact O-NH2 3.24Å; P315-R343 HydrophobicContact CG-CG 4.28Å; T339-R343 WeakPolarHBondContact O-CG 3.48Å; T339-R343 PolarHBondContact O-N 2.93Å; E340-R343 PolarHBondContact O-N 2.85Å; I341-R343 VanDerWaalsContact C-N 3.31Å; I341-R343 PolarHBondContact O-N 2.88Å; R343-Q345 VanDerWaalsContact C-N 3.27Å; R343-Q345 PolarHBondContact O-N 2.83Å; R343-W346 PolarHBondContact O-N 3.34Å; R343-S347 PolarHBondContact O-N 3.2Å
344T84.3Confident71.7Confident76 Ų7671.7 Ų71.747%0.46637%0.372SS..Hα-helixtrans-65.6-31.1175.869.20000112.9E340 I341 L342 S347E340-T344 WeakPolarHBondContact O-CG2 3.25Å; E340-T344 PolarHBondContact O-N 2.68Å; I341-T344 PolarHBondContact O-N 3.07Å; I341-T344 VanDerWaalsContact O-N 3.12Å; I341-T344 PolarHBondContact O-OG1 3.21Å; L342-T344 VanDerWaalsContact C-N 3.29Å; L342-T344 PolarHBondContact O-N 2.95Å; T344-S347 PolarHBondContact O-OG 3.02Å
345Q77.8Confident69.6Low42 Ų4276.3 Ų76.320%0.19640%0.401CS..Hα-helixtrans-84.4-25.6179.4-58.4-52.6-54.800112.1I20 I341 L342 R343 T348 T349I20-Q345 HydrophobicContact CD1-CB 3.69Å; I20-Q345 HydrophobicContact CD1-CG 4.06Å; I341-Q345 PolarHBondContact O-N 2.71Å; L342-Q345 PolarHBondContact O-N 2.95Å; R343-Q345 VanDerWaalsContact C-N 3.27Å; R343-Q345 PolarHBondContact O-N 2.83Å; Q345-T348 PolarHBondContact O-OG1 2.86Å; Q345-T349 PolarHBondContact O-OG1 2.73Å
346W71.8Confident67.8Low40 Ų4080.1 Ų80.115%0.15243%0.425CS..Hα-helixtrans-72.3-35.6-179.5-153-77.4000113.1L342 R343 T348 T349 F352L342-W346 PolarHBondContact O-N 3.08Å; R343-W346 PolarHBondContact O-N 3.34Å; W346-T348 PolarHBondContact O-N 2.75Å; W346-T349 WeakPolarHBondContact CA-OG1 3.38Å; W346-T349 PolarHBondContact O-N 3Å; W346-T349 PolarHBondContact O-OG1 2.68Å; W346-F352 AromaticContact CD2-CE2 3.95Å; W346-F352 HydrophobicContact CD2-CE2 3.95Å; W346-F352 HydrophobicContact CD2-CZ 4.42Å; W346-F352 AromaticContact CE2-CD2 3.66Å; W346-F352 AromaticContact CE2-CE2 3.15Å; W346-F352 AromaticContact CE2-CZ 3.61Å; W346-F352 HydrophobicContact CE3-CE2 4.46Å; W346-F352 AromaticContact CH2-CE1 3.81Å; W346-F352 HydrophobicContact CH2-CE1 3.81Å; W346-F352 AromaticContact CH2-CE2 3.72Å; W346-F352 HydrophobicContact CH2-CE2 3.72Å; W346-F352 AromaticContact CH2-CZ 3.2Å; W346-F352 HydrophobicContact CH2-CZ 3.2Å; W346-F352 HydrophobicContact CZ2-CD1 4.06Å; W346-F352 AromaticContact CZ2-CD2 3.69Å; W346-F352 HydrophobicContact CZ2-CD2 3.69Å; W346-F352 AromaticContact CZ2-CE1 3.49Å; W346-F352 HydrophobicContact CZ2-CE1 3.49Å; W346-F352 VanDerWaalsContact CZ2-CE1 3.49Å; W346-F352 AromaticContact CZ2-CE2 3.06Å; W346-F352 HydrophobicContact CZ2-CE2 3.06Å; W346-F352 HydrophobicContact CZ2-CG 4.17Å; W346-F352 AromaticContact CZ2-CZ 2.96Å; W346-F352 HydrophobicContact CZ2-CZ 2.96Å; W346-F352 HydrophobicContact CZ3-CE2 4.35Å; W346-F352 HydrophobicContact CZ3-CZ 4.03Å; W346-F352 AromaticContact NE1-CD2 3.44Å; W346-F352 AromaticContact NE1-CE2 3.41Å
347S52.8Low66.7Low98 Ų9877.2 Ų77.269%0.68542%0.42SS*.THydrogen-bonded Turntrans-67.9-13.4179.960.80000114.1R343 T344R343-S347 PolarHBondContact O-N 3.2Å; T344-S347 PolarHBondContact O-OG 3.02Å
348T51.2Low65.9Low96 Ų9675.9 Ų75.959%0.58942%0.417SS*.THydrogen-bonded Turntrans-95.3-0.9172.730.90000113.7Q345 W346Q345-T348 PolarHBondContact O-OG1 2.86Å; W346-T348 PolarHBondContact O-N 2.75Å
349T48.3Very low65.5Low32 Ų3277 Ų7720%0.19642%0.421CS..  trans-106.191.717720.40000109.4Q345 W346Q345-T349 PolarHBondContact O-OG1 2.73Å; W346-T349 WeakPolarHBondContact CA-OG1 3.38Å; W346-T349 PolarHBondContact O-N 3Å; W346-T349 PolarHBondContact O-OG1 2.68Å
350D39.7Very low65.1Low153 Ų15383.2 Ų83.282%0.81845%0.45SS*.  trans-65139.2167.3-86.4-34000110.6
351N42.8Very low64.9Low136 Ų13682.8 Ų82.873%0.72745%0.448SS*.  trans71.769171.3-56.6-28.4000117T353N351-T353 HydrophobicContact CB-CG2 4.48Å; N351-T353 PolarHBondContact O-N 2.94Å
352F44.6Very low64.8Low77 Ų7781.6 Ų81.634%0.33844%0.441SS..  trans-60.986.7142.2-93.3-97.4000107.8W346 S354W346-F352 AromaticContact CD2-CE2 3.95Å; W346-F352 HydrophobicContact CD2-CE2 3.95Å; W346-F352 HydrophobicContact CD2-CZ 4.42Å; W346-F352 AromaticContact CE2-CD2 3.66Å; W346-F352 AromaticContact CE2-CE2 3.15Å; W346-F352 AromaticContact CE2-CZ 3.61Å; W346-F352 HydrophobicContact CE3-CE2 4.46Å; W346-F352 AromaticContact CH2-CE1 3.81Å; W346-F352 HydrophobicContact CH2-CE1 3.81Å; W346-F352 AromaticContact CH2-CE2 3.72Å; W346-F352 HydrophobicContact CH2-CE2 3.72Å; W346-F352 AromaticContact CH2-CZ 3.2Å; W346-F352 HydrophobicContact CH2-CZ 3.2Å; W346-F352 HydrophobicContact CZ2-CD1 4.06Å; W346-F352 AromaticContact CZ2-CD2 3.69Å; W346-F352 HydrophobicContact CZ2-CD2 3.69Å; W346-F352 AromaticContact CZ2-CE1 3.49Å; W346-F352 HydrophobicContact CZ2-CE1 3.49Å; W346-F352 VanDerWaalsContact CZ2-CE1 3.49Å; W346-F352 AromaticContact CZ2-CE2 3.06Å; W346-F352 HydrophobicContact CZ2-CE2 3.06Å; W346-F352 HydrophobicContact CZ2-CG 4.17Å; W346-F352 AromaticContact CZ2-CZ 2.96Å; W346-F352 HydrophobicContact CZ2-CZ 2.96Å; W346-F352 HydrophobicContact CZ3-CE2 4.35Å; W346-F352 HydrophobicContact CZ3-CZ 4.03Å; W346-F352 AromaticContact NE1-CD2 3.44Å; W346-F352 AromaticContact NE1-CE2 3.41Å; F352-S354 VanDerWaalsContact C-N 3.32Å; F352-S354 PolarHBondContact O-N 2.86Å
353T40.3Very low64.6Low111 Ų11184.2 Ų84.268%0.68145%0.451SS*.  trans-74.296.7170.326.40000107.5N351N351-T353 HydrophobicContact CB-CG2 4.48Å; N351-T353 PolarHBondContact O-N 2.94Å
354S42.4Very low64.3Low86 Ų8683.8 Ų83.860%0.60145%0.453SS*.  trans4.1126.5148.867.30000116.5F352F352-S354 VanDerWaalsContact C-N 3.32Å; F352-S354 PolarHBondContact O-N 2.86Å
355V49.4Very low63.8Low118 Ų11885.4 Ų85.472%0.71546%0.462SS*.  trans54.367146.3-164.50000113.9
356T55.3Low63Low97 Ų9788.8 Ų88.860%0.59549%0.491SS*.  trans-112.5121.4159.549.70000108.5H358T356-H358 PolarHBondContact O-N 2.81Å
357N68.3Low62.9Low74 Ų7494.3 Ų94.340%0.39652%0.516SS..  trans-75.1119.8168.3-71.7-21.9000107D264 R293 F359 E360D264-N357 VanDerWaalsContact OD2-C 3.29Å; D264-N357 VanDerWaalsContact OD2-CA 3.31Å; D264-N357 WeakPolarHBondContact OD2-CA 3.4Å; R293-N357 PolarHBondContact NH2-OD1 3.22Å; N357-F359 PolarHBondContact O-N 2.95Å; N357-F359 VanDerWaalsContact O-N 3.08Å; N357-E360 HydrophobicContact CB-CB 4.35Å; N357-E360 PolarHBondContact O-N 2.87Å
358H76.1Confident63.8Low49 Ų4994.3 Ų94.323%0.22751%0.508CS..THydrogen-bonded Turntrans-57.6-28.9-173.1-6787.4000112.1F248 D264 T356 H361F248-H358 HydrophobicContact CD2-CB 4.38Å; F248-H358 HydrophobicContact CE2-CB 4.17Å; F248-H358 AromaticContact CE2-CD2 3.98Å; F248-H358 AromaticContact CE2-CG 3.76Å; F248-H358 AromaticContact CE2-ND1 3.9Å; D264-H358 IonicContact OD1-CE1 3.13Å; D264-H358 IonicContact OD1-CG 3.59Å; D264-H358 IonicContact OD1-ND1 3.49Å; D264-H358 PolarHBondContact OD1-ND1 2.82Å; D264-H358 PolarHBondContact OD2-N 3.43Å; D264-H358 IonicContact OD2-ND1 3.19Å; T356-H358 PolarHBondContact O-N 2.81Å; H358-H361 PolarHBondContact O-CE1 3.4Å; H358-H361 PolarHBondContact O-ND1 3.36Å
359F84.7Confident65Low22 Ų2295.5 Ų95.510%0.09651%0.511CS..THydrogen-bonded Turntrans-110.86-171-53.2-57.6000115.4F189 A246 F248 D264 N357 H361 L362 Y363F189-F359 HydrophobicContact CE1-CB 4.34Å; F189-F359 HydrophobicContact CE2-CB 3.83Å; F189-F359 AromaticContact CE2-CD1 3.96Å; F189-F359 HydrophobicContact CE2-CD1 3.96Å; F189-F359 HydrophobicContact CE2-CD2 4.21Å; F189-F359 AromaticContact CE2-CG 3.74Å; F189-F359 HydrophobicContact CE2-CG 3.74Å; F189-F359 HydrophobicContact CZ-CB 3.43Å; F189-F359 VanDerWaalsContact CZ-CB 3.43Å; F189-F359 HydrophobicContact CZ-CD1 4.45Å; F189-F359 HydrophobicContact CZ-CD2 4.38Å; F189-F359 AromaticContact CZ-CG 3.87Å; F189-F359 HydrophobicContact CZ-CG 3.87Å; A246-F359 HydrophobicContact CB-CB 4.39Å; A246-F359 HydrophobicContact CB-CD2 3.48Å; A246-F359 VanDerWaalsContact CB-CD2 3.48Å; A246-F359 HydrophobicContact CB-CE2 4.05Å; A246-F359 HydrophobicContact CB-CG 4.27Å; F248-F359 HydrophobicContact CB-CE2 4.05Å; F248-F359 AromaticContact CD2-CE2 3.62Å; F248-F359 HydrophobicContact CD2-CE2 3.62Å; F248-F359 AromaticContact CD2-CZ 3.59Å; F248-F359 HydrophobicContact CD2-CZ 3.59Å; F248-F359 HydrophobicContact CE2-CZ 4.28Å; F248-F359 HydrophobicContact CG-CE2 4.32Å; F248-F359 HydrophobicContact CG-CZ 4.48Å; D264-F359 HydrophobicContact CB-CD2 3.88Å; D264-F359 HydrophobicContact CB-CE2 4.07Å; N357-F359 PolarHBondContact O-N 2.95Å; N357-F359 VanDerWaalsContact O-N 3.08Å; F359-H361 PolarHBondContact O-N 2.8Å; F359-H361 VanDerWaalsContact O-N 3.13Å; F359-L362 HydrophobicContact CB-CD1 4.28Å; F359-L362 HydrophobicContact CD1-CD1 3.54Å; F359-L362 HydrophobicContact CE1-CD1 4.33Å; F359-L362 HydrophobicContact CG-CD1 4.32Å; F359-L362 WeakPolarHBondContact O-CB 3.34Å; F359-L362 PolarHBondContact O-N 2.79Å; F359-Y363 HydrophobicContact CB-CE2 4.42Å; F359-Y363 VanDerWaalsContact O-CD2 3.27Å; F359-Y363 WeakPolarHBondContact O-CD2 3.41Å
360E83.3Confident66.4Low145 Ų14598.7 Ų98.768%0.67853%0.53SS*.G310 helixtrans-53.1-41.2-176.9-172.6177.6176.200112.3N357 L362N357-E360 HydrophobicContact CB-CB 4.35Å; N357-E360 PolarHBondContact O-N 2.87Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.04Å
361H85.6Confident68.2Low130 Ų13093.2 Ų93.260%0.60250%0.504SS*.G310 helixtrans-74.9-13179.967.1-82.8000114.6R164 H358 F359R164-H361 PolarHBondContact NH2-O 2.8Å; H358-H361 PolarHBondContact O-CE1 3.4Å; H358-H361 PolarHBondContact O-ND1 3.36Å; F359-H361 PolarHBondContact O-N 2.8Å; F359-H361 VanDerWaalsContact O-N 3.13Å
362L87.4Confident70Confident5 Ų589.9 Ų89.93%0.02649%0.489CS..G310 helixtrans-84.8-27.2-179.5-63.7-175.3000112.5M146 L148 R164 F189 F359 E360 K364M146-L362 HydrophobicContact SD-CD2 3.9Å; L148-L362 HydrophobicContact CD1-CD1 3.87Å; L148-L362 HydrophobicContact CD2-CD1 3.81Å; L148-L362 HydrophobicContact CD2-CD2 4.3Å; R164-L362 HydrophobicContact CG-CD2 4.45Å; R164-L362 PolarHBondContact NE-O 3.22Å; R164-L362 PolarHBondContact NH2-O 3.03Å; F189-L362 HydrophobicContact CD1-CB 3.68Å; F189-L362 HydrophobicContact CD2-CB 4.44Å; F189-L362 HydrophobicContact CD2-CD1 3.88Å; F189-L362 HydrophobicContact CE1-CB 3.76Å; F189-L362 HydrophobicContact CE2-CD1 4.02Å; F189-L362 HydrophobicContact CG-CB 4.06Å; F189-L362 HydrophobicContact CG-CD1 4.19Å; F189-L362 HydrophobicContact CZ-CB 4.22Å; F189-L362 HydrophobicContact CZ-CD1 4.45Å; F359-L362 HydrophobicContact CB-CD1 4.28Å; F359-L362 HydrophobicContact CD1-CD1 3.54Å; F359-L362 HydrophobicContact CE1-CD1 4.33Å; F359-L362 HydrophobicContact CG-CD1 4.32Å; F359-L362 WeakPolarHBondContact O-CB 3.34Å; F359-L362 PolarHBondContact O-N 2.79Å; E360-L362 VanDerWaalsContact C-N 3.3Å; E360-L362 PolarHBondContact O-N 3.04Å; L362-K364 PolarHBondContact O-N 3.2Å
363Y83.7Confident71.8Confident58 Ų5892.3 Ų92.323%0.22750%0.497CS..SBendtrans-58.5135.5177.7-71.1-82.2000111.3Q188 F189 G208 F359 V365Q188-Y363 VanDerWaalsContact OE1-CE1 3.27Å; F189-Y363 HydrophobicContact CE1-CD1 4.03Å; F189-Y363 HydrophobicContact CE1-CD2 4.11Å; F189-Y363 AromaticContact CE1-CE1 3.92Å; F189-Y363 HydrophobicContact CE1-CE1 3.92Å; F189-Y363 HydrophobicContact CE1-CE2 4Å; F189-Y363 HydrophobicContact CE1-CG 4.13Å; F189-Y363 AromaticContact CE1-CZ 3.91Å; F189-Y363 HydrophobicContact CZ-CE1 4.46Å; F189-Y363 HydrophobicContact CZ-CE2 4.13Å; G208-Y363 PolarHBondContact O-OH 3.36Å; F359-Y363 HydrophobicContact CB-CE2 4.42Å; F359-Y363 VanDerWaalsContact O-CD2 3.27Å; F359-Y363 WeakPolarHBondContact O-CD2 3.41Å; Y363-V365 PolarHBondContact O-N 3.36Å
364K80Confident74Confident114 Ų11491.6 Ų91.650%0.49649%0.488SS..  trans-74.1119.6178.9-67.6174.4179.6173.90108.4D165 E166 L362 S366D165-K364 VanDerWaalsContact OD1-CE 3.28Å; D165-K364 WeakPolarHBondContact OD1-CE 3.44Å; D165-K364 IonicContact OD1-NZ 2.95Å; D165-K364 PolarHBondContact OD1-NZ 3.17Å; E166-K364 IonicContact OE1-NZ 3.98Å; E166-K364 PolarHBondContact OE1-NZ 3.41Å; L362-K364 PolarHBondContact O-N 3.2Å; K364-S366 PolarHBondContact O-N 3.45Å
365V74.9Confident76.2Confident110 Ų11093.4 Ų93.467%0.66749%0.487SS*.  trans-73.8113.7170.7-177.20000108.1Y363 F367Y363-V365 PolarHBondContact O-N 3.36Å; V365-F367 HydrophobicContact CB-CE2 4.09Å; V365-F367 HydrophobicContact CG1-CD2 4.28Å; V365-F367 HydrophobicContact CG1-CE1 4.42Å; V365-F367 HydrophobicContact CG1-CE2 3.78Å; V365-F367 HydrophobicContact CG1-CZ 3.87Å; V365-F367 PolarHBondContact O-N 3.3Å
366S61.5Low78.1Confident114 Ų11493.8 Ų93.880%0.79748%0.479SS*.  trans-78.6115.8174.253.50000109.6K364K364-S366 PolarHBondContact O-N 3.45Å
367F69.4Low79.7Confident156 Ų15693.8 Ų93.868%0.68447%0.471SS*.  trans-93.7115.1168.3-69.3-83.6000108.6V365 N369V365-F367 HydrophobicContact CB-CE2 4.09Å; V365-F367 HydrophobicContact CG1-CD2 4.28Å; V365-F367 HydrophobicContact CG1-CE1 4.42Å; V365-F367 HydrophobicContact CG1-CE2 3.78Å; V365-F367 HydrophobicContact CG1-CZ 3.87Å; V365-F367 PolarHBondContact O-N 3.3Å; F367-N369 PolarHBondContact O-N 3.44Å
368D70.1Confident80.8Confident97 Ų9795 Ų9552%0.51947%0.474SS..  trans-76.774.9174.7-171.60.6000111V370 S371 V372D368-V370 PolarHBondContact O-N 3.44Å; D368-V370 PolarHBondContact OD1-N 3.14Å; D368-S371 PolarHBondContact OD1-N 3.21Å; D368-S371 PolarHBondContact OD1-OG 2.97Å; D368-S371 WeakPolarHBondContact OD2-CB 3.42Å; D368-S371 PolarHBondContact OD2-OG 3.31Å; D368-V372 VanDerWaalsContact O-CG2 3.31Å; D368-V372 WeakPolarHBondContact O-CG2 3.33Å
369N76.4Confident81.6Confident121 Ų12198 Ų9865%0.64749%0.488SS*.Hα-helixtrans-69.1-20.3175.6-67.6-38.8000111.7F367 Y373F367-N369 PolarHBondContact O-N 3.44Å; N369-Y373 WeakPolarHBondContact O-CB 3.43Å; N369-Y373 PolarHBondContact O-N 2.94Å
370V77.8Confident81.9Confident99 Ų99103.6 Ų103.660%0.651%0.509SS*.Hα-helixtrans-79.5-48.8-173.7179.40000110.9D368 V372 Y373 L374D368-V370 PolarHBondContact O-N 3.44Å; D368-V370 PolarHBondContact OD1-N 3.14Å; V370-V372 VanDerWaalsContact C-N 3.35Å; V370-V372 PolarHBondContact O-N 3.32Å; V370-Y373 WeakPolarHBondContact O-CB 3.29Å; V370-Y373 PolarHBondContact O-N 2.76Å; V370-L374 HydrophobicContact CG1-CD1 3.97Å; V370-L374 HydrophobicContact CG1-CG 4.38Å; V370-L374 WeakPolarHBondContact O-CB 3.33Å; V370-L374 VanDerWaalsContact O-CG 3.26Å; V370-L374 WeakPolarHBondContact O-CG 3.13Å; V370-L374 PolarHBondContact O-N 2.84Å
371S77.9Confident82.2Confident38 Ų38100.1 Ų100.127%0.26649%0.494SS..Hα-helixtrans-65-40.7177680000111.7D368 Y373 L374 Q375D368-S371 PolarHBondContact OD1-N 3.21Å; D368-S371 PolarHBondContact OD1-OG 2.97Å; D368-S371 WeakPolarHBondContact OD2-CB 3.42Å; D368-S371 PolarHBondContact OD2-OG 3.31Å; S371-Y373 VanDerWaalsContact C-N 3.31Å; S371-Y373 PolarHBondContact O-N 2.95Å; S371-L374 PolarHBondContact O-N 3.38Å; S371-Q375 WeakPolarHBondContact O-CB 3.45Å; S371-Q375 WeakPolarHBondContact O-CG 3.26Å; S371-Q375 PolarHBondContact O-N 3.21Å
372V80.1Confident82.4Confident67 Ų6798.7 Ų98.741%0.40649%0.488SS..Hα-helixtrans-60.1-43.1173.9174.80000110.7D368 V370 K376D368-V372 VanDerWaalsContact O-CG2 3.31Å; D368-V372 WeakPolarHBondContact O-CG2 3.33Å; V370-V372 VanDerWaalsContact C-N 3.35Å; V370-V372 PolarHBondContact O-N 3.32Å; V372-K376 HydrophobicContact CG1-CD 4.42Å; V372-K376 WeakPolarHBondContact O-CG 3.44Å; V372-K376 PolarHBondContact O-N 3.03Å; V372-K376 VanDerWaalsContact O-N 3.09Å
373Y83.9Confident82.5Confident128 Ų128103.8 Ų103.850%0.50251%0.511SS..Hα-helixtrans-63.8-44.5174.8172.5-92.6000112.4N369 V370 S371 K376 K377N369-Y373 WeakPolarHBondContact O-CB 3.43Å; N369-Y373 PolarHBondContact O-N 2.94Å; V370-Y373 WeakPolarHBondContact O-CB 3.29Å; V370-Y373 PolarHBondContact O-N 2.76Å; S371-Y373 VanDerWaalsContact C-N 3.31Å; S371-Y373 PolarHBondContact O-N 2.95Å; Y373-K376 PolarHBondContact O-N 2.89Å; Y373-K377 HydrophobicContact CE1-CD 4.18Å; Y373-K377 WeakPolarHBondContact O-CB 3.41Å; Y373-K377 PolarHBondContact O-N 3.39Å
374L86.3Confident82.6Confident95 Ų95106.5 Ų106.550%0.49753%0.526SS..Hα-helixtrans-64.9-41.3179.9-73.2172.3000111.7V370 S371 K377 Q378V370-L374 HydrophobicContact CG1-CD1 3.97Å; V370-L374 HydrophobicContact CG1-CG 4.38Å; V370-L374 WeakPolarHBondContact O-CB 3.33Å; V370-L374 VanDerWaalsContact O-CG 3.26Å; V370-L374 WeakPolarHBondContact O-CG 3.13Å; V370-L374 PolarHBondContact O-N 2.84Å; S371-L374 PolarHBondContact O-N 3.38Å; L374-K377 WeakPolarHBondContact O-CB 2.9Å; L374-K377 PolarHBondContact O-N 3.05Å; L374-Q378 WeakPolarHBondContact O-CB 3.35Å; L374-Q378 PolarHBondContact O-N 3.48Å
375Q88.4Confident82.7Confident124 Ų124106.6 Ų106.658%0.57953%0.528SS*.Hα-helixtrans-60.9-47.1173.5-74.5175.9-1.400111.5S371 K377 Q378 Q379S371-Q375 WeakPolarHBondContact O-CB 3.45Å; S371-Q375 WeakPolarHBondContact O-CG 3.26Å; S371-Q375 PolarHBondContact O-N 3.21Å; Q375-K377 VanDerWaalsContact C-N 3.27Å; Q375-K377 PolarHBondContact O-N 3.11Å; Q375-Q378 PolarHBondContact O-N 3.37Å; Q375-Q379 WeakPolarHBondContact O-CG 3.44Å; Q375-Q379 PolarHBondContact O-N 3.49Å
376K89.2Confident83.1Confident126 Ų126106.1 Ų106.155%0.54852%0.521SS..Hα-helixtrans-62.8-33174.8-73.8177.9179.3178.20112.5V372 Y373 R380V372-K376 HydrophobicContact CG1-CD 4.42Å; V372-K376 WeakPolarHBondContact O-CG 3.44Å; V372-K376 PolarHBondContact O-N 3.03Å; V372-K376 VanDerWaalsContact O-N 3.09Å; Y373-K376 PolarHBondContact O-N 2.89Å; K376-R380 WeakPolarHBondContact O-CG 3.49Å; K376-R380 PolarHBondContact O-N 3.49Å; K376-R380 PolarHBondContact O-NE 3.42Å
377K89.5Confident84Confident97 Ų97107.5 Ų107.542%0.42251%0.513SS..Hα-helixtrans-69.1-43.2174.4-173.5179177.1-177.60111Y373 L374 Q375 R380 I381Y373-K377 HydrophobicContact CE1-CD 4.18Å; Y373-K377 WeakPolarHBondContact O-CB 3.41Å; Y373-K377 PolarHBondContact O-N 3.39Å; L374-K377 WeakPolarHBondContact O-CB 2.9Å; L374-K377 PolarHBondContact O-N 3.05Å; Q375-K377 VanDerWaalsContact C-N 3.27Å; Q375-K377 PolarHBondContact O-N 3.11Å; K377-R380 PolarHBondContact O-N 3.5Å; K377-I381 HydrophobicContact CG-CD1 4.31Å; K377-I381 WeakPolarHBondContact O-CG1 3.26Å; K377-I381 PolarHBondContact O-N 2.71Å; K377-I381 VanDerWaalsContact O-N 3.14Å
378Q91.3Very high84.2Confident99 Ų99107.9 Ų107.946%0.46351%0.51SS..Hα-helixtrans-63.1-46.1178.4-172.660.825.700111.7L374 Q375 R380 I381 E382L374-Q378 WeakPolarHBondContact O-CB 3.35Å; L374-Q378 PolarHBondContact O-N 3.48Å; Q375-Q378 PolarHBondContact O-N 3.37Å; Q378-R380 VanDerWaalsContact C-N 3.32Å; Q378-R380 PolarHBondContact O-N 2.98Å; Q378-I381 WeakPolarHBondContact O-CB 3.36Å; Q378-I381 PolarHBondContact O-N 2.89Å; Q378-E382 WeakPolarHBondContact CG-OE1 3.23Å; Q378-E382 PolarHBondContact NE2-OE1 3.06Å; Q378-E382 PolarHBondContact O-N 3.3Å
379Q92Very high84.3Confident114 Ų114107.1 Ų107.153%0.53351%0.509SS..Hα-helixtrans-57.1-43.2174.9-74.7175.5-11.100112.3Q375 I381 E382 E383Q375-Q379 WeakPolarHBondContact O-CG 3.44Å; Q375-Q379 PolarHBondContact O-N 3.49Å; Q379-I381 VanDerWaalsContact C-N 3.31Å; Q379-I381 PolarHBondContact O-N 3.42Å; Q379-E382 PolarHBondContact O-N 3.41Å; Q379-E383 WeakPolarHBondContact O-CG 3.44Å; Q379-E383 PolarHBondContact O-N 3.32Å
380R91.1Very high84.1Confident139 Ų139108.6 Ų108.653%0.52551%0.509SS..Hα-helixtrans-62.1-37.6176.1-76-177.6-69.9171.5-1.2112.7K376 K377 Q378 H384K376-R380 WeakPolarHBondContact O-CG 3.49Å; K376-R380 PolarHBondContact O-N 3.49Å; K376-R380 PolarHBondContact O-NE 3.42Å; K377-R380 PolarHBondContact O-N 3.5Å; Q378-R380 VanDerWaalsContact C-N 3.32Å; Q378-R380 PolarHBondContact O-N 2.98Å; R380-H384 WeakPolarHBondContact O-CB 3.17Å; R380-H384 PolarHBondContact O-N 2.9Å; R380-H384 VanDerWaalsContact O-N 3.14Å
381I89.9Confident83.4Confident72 Ų72108 Ų10837%0.36952%0.515SS..Hα-helixtrans-67.6-45177.7-67.6166.4000110.2K377 Q378 Q379 H384 Q385K377-I381 HydrophobicContact CG-CD1 4.31Å; K377-I381 WeakPolarHBondContact O-CG1 3.26Å; K377-I381 PolarHBondContact O-N 2.71Å; K377-I381 VanDerWaalsContact O-N 3.14Å; Q378-I381 WeakPolarHBondContact O-CB 3.36Å; Q378-I381 PolarHBondContact O-N 2.89Å; Q379-I381 VanDerWaalsContact C-N 3.31Å; Q379-I381 PolarHBondContact O-N 3.42Å; I381-H384 PolarHBondContact O-N 3.12Å; I381-Q385 WeakPolarHBondContact O-CG 3.2Å; I381-Q385 PolarHBondContact O-N 3.43Å
382E90.6Very high82.5Confident100 Ų100113.6 Ų113.647%0.46754%0.537SS..Hα-helixtrans-64.9-42.8179.2-73170.1-167.400112.3Q378 Q379 H384 Q385 L386Q378-E382 WeakPolarHBondContact CG-OE1 3.23Å; Q378-E382 PolarHBondContact NE2-OE1 3.06Å; Q378-E382 PolarHBondContact O-N 3.3Å; Q379-E382 PolarHBondContact O-N 3.41Å; E382-H384 VanDerWaalsContact C-N 3.31Å; E382-H384 PolarHBondContact O-N 3.36Å; E382-Q385 PolarHBondContact O-N 3.02Å; E382-L386 WeakPolarHBondContact O-CB 3.31Å; E382-L386 PolarHBondContact O-N 3.41Å
383E88.8Confident81.1Confident111 Ų111118.8 Ų118.852%0.51955%0.554SS.*Hα-helixtrans-60.2-41.5173.7-76.6-178-176.800112.1Q379 L386 K387Q379-E383 WeakPolarHBondContact O-CG 3.44Å; Q379-E383 PolarHBondContact O-N 3.32Å; E383-L386 PolarHBondContact O-N 2.64Å; E383-K387 WeakPolarHBondContact O-CB 3.4Å; E383-K387 VanDerWaalsContact O-CG 3.3Å; E383-K387 WeakPolarHBondContact O-CG 3.48Å; E383-K387 PolarHBondContact O-N 3.34Å
384H84.7Confident79.5Confident115 Ų115118.3 Ų118.353%0.53257%0.567SS.*Hα-helixtrans-67.6-39.5178.4-167.9-97.7000111.5R380 I381 E382 R388R380-H384 WeakPolarHBondContact O-CB 3.17Å; R380-H384 PolarHBondContact O-N 2.9Å; R380-H384 VanDerWaalsContact O-N 3.14Å; I381-H384 PolarHBondContact O-N 3.12Å; E382-H384 VanDerWaalsContact C-N 3.31Å; E382-H384 PolarHBondContact O-N 3.36Å; H384-R388 WeakPolarHBondContact O-CG 3.41Å; H384-R388 PolarHBondContact O-N 3.34Å; H384-R388 VanDerWaalsContact O-N 3.09Å
385Q83.9Confident77.8Confident117 Ų117124.1 Ų124.155%0.54759%0.588SS.*Hα-helixtrans-63.2-47.6172.8-72.2179.56.700111.2I381 E382 K387 R388 T389I381-Q385 WeakPolarHBondContact O-CG 3.2Å; I381-Q385 PolarHBondContact O-N 3.43Å; E382-Q385 PolarHBondContact O-N 3.02Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.94Å; Q385-R388 WeakPolarHBondContact O-CB 3.47Å; Q385-R388 PolarHBondContact O-N 3.42Å; Q385-R388 VanDerWaalsContact O-N 3.1Å; Q385-T389 PolarHBondContact O-N 2.66Å; Q385-T389 PolarHBondContact O-OG1 3.17Å
386L81.9Confident75.3Confident99 Ų99124.5 Ų124.552%0.51860%0.603SS.*Hα-helixtrans-61.3-39.3179.4-167.872.4000112.3E382 E383 T389 K390E382-L386 WeakPolarHBondContact O-CB 3.31Å; E382-L386 PolarHBondContact O-N 3.41Å; E383-L386 PolarHBondContact O-N 2.64Å; L386-T389 PolarHBondContact O-N 3.06Å; L386-K390 WeakPolarHBondContact O-CB 3.5Å; L386-K390 WeakPolarHBondContact O-CG 3.37Å; L386-K390 PolarHBondContact O-N 3.42Å
387K81.3Confident73Confident144 Ų144126.1 Ų126.163%0.62662%0.617SS**Hα-helixtrans-62.8-42.9173.7-76.8173.7-178.5171.40111.7E383 Q385 K390 A391E383-K387 WeakPolarHBondContact O-CB 3.4Å; E383-K387 VanDerWaalsContact O-CG 3.3Å; E383-K387 WeakPolarHBondContact O-CG 3.48Å; E383-K387 PolarHBondContact O-N 3.34Å; Q385-K387 VanDerWaalsContact C-N 3.32Å; Q385-K387 PolarHBondContact O-N 2.94Å; K387-K390 PolarHBondContact O-N 2.72Å; K387-A391 PolarHBondContact O-N 2.75Å; K387-A391 VanDerWaalsContact O-N 3.09Å
388R73.6Confident70.8Confident164 Ų164131.1 Ų131.162%0.61964%0.639SS**Hα-helixtrans-64-42.6175.4-70.9177.198178.16.8112.1H384 Q385 A391 Q392H384-R388 WeakPolarHBondContact O-CG 3.41Å; H384-R388 PolarHBondContact O-N 3.34Å; H384-R388 VanDerWaalsContact O-N 3.09Å; Q385-R388 WeakPolarHBondContact O-CB 3.47Å; Q385-R388 PolarHBondContact O-N 3.42Å; Q385-R388 VanDerWaalsContact O-N 3.1Å; R388-A391 PolarHBondContact O-N 2.89Å; R388-Q392 PolarHBondContact O-N 3.04Å
389T72.2Confident68.2Low81 Ų81136.9 Ų136.950%0.49766%0.663SS.*Hα-helixtrans-68.5-35.2179.4-41.10000112.3Q385 L386 Q392Q385-T389 PolarHBondContact O-N 2.66Å; Q385-T389 PolarHBondContact O-OG1 3.17Å; L386-T389 PolarHBondContact O-N 3.06Å; T389-Q392 PolarHBondContact O-N 3.46Å
390K71.7Confident65.8Low151 Ų151137 Ų13766%0.65768%0.677SS**Hα-helixtrans-68.6-34173.7-78.2-179.3179.7178.60112.7L386 K387 Q392L386-K390 WeakPolarHBondContact O-CB 3.5Å; L386-K390 WeakPolarHBondContact O-CG 3.37Å; L386-K390 PolarHBondContact O-N 3.42Å; K387-K390 PolarHBondContact O-N 2.72Å; K390-Q392 PolarHBondContact O-N 3.43Å
391A63.4Low63.2Low88 Ų88140.8 Ų140.873%0.72770%0.697SS**Hα-helixtrans-70.3-17.9175.800000113.6K387 R388K387-A391 PolarHBondContact O-N 2.75Å; K387-A391 VanDerWaalsContact O-N 3.09Å; R388-A391 PolarHBondContact O-N 2.89Å
392Q58.5Low60.7Low155 Ų155147.3 Ų147.372%0.72472%0.722SS**THydrogen-bonded Turntrans-98.1-2.6-176.2-76.2178.6-11.700115.3R388 T389 K390 P394R388-Q392 PolarHBondContact O-N 3.04Å; T389-Q392 PolarHBondContact O-N 3.46Å; K390-Q392 PolarHBondContact O-N 3.43Å; Q392-P394 WeakPolarHBondContact O-CD 3.46Å
393K51.7Low58.3Low175 Ų175150.7 Ų150.776%0.76174%0.738SS**  trans-86118.7176.8-79.4-173.5176.1-177.80111.8
394P50Low56.2Low119 Ų119151.4 Ų151.477%0.77375%0.753SS**  trans-78.5144.5175.830.9-31000111.7Q392 C396Q392-P394 WeakPolarHBondContact O-CD 3.46Å; P394-C396 PolarHBondContact O-N 3.49Å
395K49.3Very low54.1Low216 Ų216152.9 Ų152.994%0.93976%0.764SS**  trans-65.6114.6175.6-74.2178.4176.3176.20110.3
396C36.6Very low51.9Low132 Ų132156.2 Ų156.289%0.89278%0.78SS**  trans-106.1120.1169.7-158.20000110P394P394-C396 PolarHBondContact O-N 3.49Å
397N40Very low50.1Low160 Ų160157.5 Ų157.586%0.85679%0.792SS**  trans-91.2141.6-177.2-103.6-12.1000112.1
398K43.6Very low48.3Very low203 Ų203157.8 Ų157.888%0.88380%0.799SS**  trans-55.4141.2-179.7-70.2170.6171.8176.60114.2
399K37.5Very low46.6Very low219 Ų219156.7 Ų156.795%0.95281%0.811SS**  trans-132.1122.7145.8-97.2-176.4173.4175.70110
400S41.2Very low45.2Very low118 Ų118163.5 Ų163.583%0.82583%0.828SS**  trans-80.7144.7-179.449.20000112.8
401K37.6Very low44Very low218 Ų218161.6 Ų161.695%0.94883%0.831SS**  trans-141136.4151.5-111.6-178.7178.2-177.80110.1
402K37.6Very low42.8Very low208 Ų208163 Ų16390%0.90484%0.835SS**  trans-68.2151.1-168.3-75.4171.8163.9-178.40114.3
403E38.8Very low42.1Very low171 Ų171165.7 Ų165.780%0.79986%0.862SS**  trans-63.6170.7161.6-72.4169.5147.600112.7
404P45.8Very low41.6Very low127 Ų127165.3 Ų165.383%0.82587%0.867SS**  -133.5154.4111.633-19.7000115.2
405D40.3Very low41.2Very low146 Ų146167.7 Ų167.778%0.78187%0.872SS**  trans-55.2149179.4-63-67.4000115.9
406E38.3Very low40.7Very low187 Ų187165 Ų16587%0.87487%0.869SS**  -160.4109.9129.1-119.7175.3-177.700113.6
407V42.9Very low41Very low126 Ų126166.9 Ų166.976%0.76487%0.867SS**  61.8115.7129.7-177.50000120.4
408L42.9Very low41Very low149 Ų149167.4 Ų167.478%0.7887%0.868SS**  trans-55.4138.2163.2-75.593.7000113.5
409T39.2Very low40.8Very low142 Ų142165 Ų16587%0.87187%0.867SS**  trans-133.8127.3139.8370000109.4
410R43.1Very low41.1Very low224 Ų224161.1 Ų161.185%0.84586%0.861SS**  trans-117.4177.5164.6-76.8-171.5175.5-170.8-0.1106.5
411P46.8Very low41.1Very low111 Ų111164.5 Ų164.572%0.72186%0.864SS**  -130.1-174.7-60.938.4-21.9000110
412S36.9Very low41.4Very low117 Ų117160 Ų16082%0.81886%0.857SS**  trans134.8129.5160.856.40000108
413T43.8Very low41.7Very low212 Ų212155.6 Ų155.6100%1.30185%0.853SS**  cis-142.2028.340.50000111.7

Retrieved 413 of 413 residues in 590.6 ms (Link to these results)

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