B5X7M2_SALSA Loading...

Nuclear transport factor 2

Has a role in nuclear-cytoplasmic transport of proteins and mRNAs.

AlphaFold DB , UniProt , Accession B5X7M2, Species SALSA (Salmo salar, Atlantic salmon), Gene NTF2, Length 127 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
1M52.6Low90Very high248 Ų24896.1 Ų96.1100%1.22250%0.497SS*.  0123.80-80.7169.1164.500106.3
2G74.6Confident90.7Very high77 Ų7790.3 Ų90.379%0.79447%0.471SS*.PPolyproline II helixtrans-66.4155.1177.100000110.8
3E85.7Confident91.3Very high188 Ų18889 Ų8988%0.87947%0.474SS*.PPolyproline II helixtrans-60.6141.6171.3-71.2-174.8158.500110.2
4K92.4Very high91.8Very high120 Ų12083.9 Ų83.952%0.52245%0.446SS..PPolyproline II helixtrans-61.2143174.6-71.2179.5169.1-134.40109.6E8 Q9K4-E8 VanDerWaalsContact CD-OE1 3.24Å; K4-E8 WeakPolarHBondContact CD-OE1 3.5Å; K4-E8 VanDerWaalsContact CE-OE1 3.26Å; K4-E8 WeakPolarHBondContact CE-OE1 3.39Å; K4-E8 IonicContact NZ-OE1 3.74Å; K4-E8 PolarHBondContact NZ-OE1 2.79Å; K4-Q9 HydrophobicContact CB-CG 4.06Å; K4-Q9 PolarHBondContact O-NE2 2.78Å
5P97Very high92.3Very high49 Ų4978.3 Ų78.332%0.31842%0.417SS..PPolyproline II helixtrans-56.6149.4174.2-23.133.3000112.8W7 E8 Q9P5-W7 VanDerWaalsContact C-N 3.27Å; P5-W7 HydrophobicContact CB-CD2 3.61Å; P5-W7 HydrophobicContact CB-CE3 3.97Å; P5-W7 HydrophobicContact CB-CG 4.31Å; P5-W7 HydrophobicContact CB-CH2 3.63Å; P5-W7 HydrophobicContact CB-CZ2 3.24Å; P5-W7 HydrophobicContact CB-CZ3 3.97Å; P5-W7 HydrophobicContact CG-CH2 4.28Å; P5-W7 HydrophobicContact CG-CZ2 3.66Å; P5-W7 PolarHBondContact O-N 2.82Å; P5-E8 WeakPolarHBondContact CD-OE2 3.22Å; P5-E8 WeakPolarHBondContact O-CB 3.39Å; P5-E8 PolarHBondContact O-N 2.6Å; P5-Q9 PolarHBondContact O-N 2.92Å; P5-Q9 VanDerWaalsContact O-N 3.13Å
6I96.8Very high92.6Very high105 Ų10582.1 Ų82.154%0.53843%0.431SS..Hα-helixtrans-56.7-38.1-175.6-173.457.9000113.3E8 Q9 I10I6-E8 VanDerWaalsContact C-N 3.33Å; I6-E8 PolarHBondContact O-N 3.19Å; I6-Q9 PolarHBondContact O-N 2.63Å; I6-I10 HydrophobicContact CD1-CD1 4.05Å; I6-I10 HydrophobicContact CD1-CG1 4.37Å; I6-I10 HydrophobicContact CG1-CD1 3.81Å; I6-I10 WeakPolarHBondContact O-CD1 3.45Å; I6-I10 WeakPolarHBondContact O-CG1 3.37Å; I6-I10 PolarHBondContact O-N 3.25Å
7W98Very high93Very high92 Ų9282.4 Ų82.435%0.34843%0.429SS..Hα-helixtrans-67.2-33.3177.756.183.6000112.6P5 G11 P75 I81P5-W7 VanDerWaalsContact C-N 3.27Å; P5-W7 HydrophobicContact CB-CD2 3.61Å; P5-W7 HydrophobicContact CB-CE3 3.97Å; P5-W7 HydrophobicContact CB-CG 4.31Å; P5-W7 HydrophobicContact CB-CH2 3.63Å; P5-W7 HydrophobicContact CB-CZ2 3.24Å; P5-W7 HydrophobicContact CB-CZ3 3.97Å; P5-W7 HydrophobicContact CG-CH2 4.28Å; P5-W7 HydrophobicContact CG-CZ2 3.66Å; P5-W7 PolarHBondContact O-N 2.82Å; W7-G11 PolarHBondContact O-N 2.79Å; W7-P75 HydrophobicContact CB-CB 4.48Å; W7-P75 HydrophobicContact CD2-CB 4.31Å; W7-P75 HydrophobicContact CD2-CG 3.86Å; W7-P75 HydrophobicContact CE3-CB 4.24Å; W7-P75 HydrophobicContact CE3-CG 3.93Å; W7-P75 HydrophobicContact CG-CB 4.43Å; W7-P75 HydrophobicContact CG-CG 4.27Å; W7-P75 HydrophobicContact CZ2-CG 4.48Å; W7-P75 HydrophobicContact CZ3-CG 4.28Å; W7-I81 HydrophobicContact CB-CD1 4.09Å; W7-I81 HydrophobicContact CB-CG1 3.99Å; W7-I81 HydrophobicContact CB-CG2 4.4Å
8E98.3Very high93.3Very high56 Ų5677.8 Ų77.826%0.26241%0.405SS..Hα-helixtrans-69.2-42.1175.6-165.3-171.9141.200110.1K4 P5 I6 S12K4-E8 VanDerWaalsContact CD-OE1 3.24Å; K4-E8 WeakPolarHBondContact CD-OE1 3.5Å; K4-E8 VanDerWaalsContact CE-OE1 3.26Å; K4-E8 WeakPolarHBondContact CE-OE1 3.39Å; K4-E8 IonicContact NZ-OE1 3.74Å; K4-E8 PolarHBondContact NZ-OE1 2.79Å; P5-E8 WeakPolarHBondContact CD-OE2 3.22Å; P5-E8 WeakPolarHBondContact O-CB 3.39Å; P5-E8 PolarHBondContact O-N 2.6Å; I6-E8 VanDerWaalsContact C-N 3.33Å; I6-E8 PolarHBondContact O-N 3.19Å; E8-S12 VanDerWaalsContact O-CB 3.24Å; E8-S12 WeakPolarHBondContact O-CB 3.36Å; E8-S12 PolarHBondContact O-N 2.87Å; E8-S12 PolarHBondContact O-OG 3.24Å; E8-S12 VanDerWaalsContact O-OG 3.05Å
9Q98.1Very high93.5Very high88 Ų8874.3 Ų74.341%0.41139%0.386SS..Hα-helixtrans-61-47.4176.6-61.3-179.938.100112K4 P5 I6 S13K4-Q9 HydrophobicContact CB-CG 4.06Å; K4-Q9 PolarHBondContact O-NE2 2.78Å; P5-Q9 PolarHBondContact O-N 2.92Å; P5-Q9 VanDerWaalsContact O-N 3.13Å; I6-Q9 PolarHBondContact O-N 2.63Å; Q9-S13 WeakPolarHBondContact O-CB 3.33Å; Q9-S13 PolarHBondContact O-N 3.07Å; Q9-S13 VanDerWaalsContact O-N 3.09Å; Q9-S13 PolarHBondContact O-OG 2.7Å
10I98.1Very high93.7Very high34 Ų3476.2 Ų76.217%0.17439%0.393CS..Hα-helixtrans-68-48.3179.7-65.3160.8000110.7I6 S12 S13 F14 I81 W112I6-I10 HydrophobicContact CD1-CD1 4.05Å; I6-I10 HydrophobicContact CD1-CG1 4.37Å; I6-I10 HydrophobicContact CG1-CD1 3.81Å; I6-I10 WeakPolarHBondContact O-CD1 3.45Å; I6-I10 WeakPolarHBondContact O-CG1 3.37Å; I6-I10 PolarHBondContact O-N 3.25Å; I10-S12 PolarHBondContact O-N 3.24Å; I10-S13 PolarHBondContact O-N 3.31Å; I10-F14 WeakPolarHBondContact O-CB 3.45Å; I10-F14 PolarHBondContact O-N 3.26Å; I10-I81 HydrophobicContact CB-CD1 3.66Å; I10-I81 HydrophobicContact CD1-CD1 3.95Å; I10-I81 HydrophobicContact CG1-CD1 4.43Å; I10-I81 HydrophobicContact CG2-CD1 3.54Å; I10-W112 HydrophobicContact CD1-CZ2 3.74Å; I10-W112 HydrophobicContact CG2-CD2 3.85Å; I10-W112 HydrophobicContact CG2-CE3 4.45Å; I10-W112 HydrophobicContact CG2-CG 3.85Å
11G98.5Very high93.9Very high0 Ų073.5 Ų73.50%038%0.379CS..Hα-helixtrans-59.9-46.9-179.700000112.4W7 S13 F14 V15 H73W7-G11 PolarHBondContact O-N 2.79Å; G11-S13 PolarHBondContact O-N 3.04Å; G11-F14 PolarHBondContact O-N 3.48Å; G11-V15 WeakPolarHBondContact O-CG2 3.4Å; G11-V15 PolarHBondContact O-N 3.37Å; G11-H73 PolarHBondContact O-CE1 3.18Å
12S98.4Very high96Very high26 Ų2661.8 Ų61.818%0.18232%0.322CS..Hα-helixtrans-65.9-38.2177.8-64.80000112.4E8 I10 V15 Q16 H73E8-S12 VanDerWaalsContact O-CB 3.24Å; E8-S12 WeakPolarHBondContact O-CB 3.36Å; E8-S12 PolarHBondContact O-N 2.87Å; E8-S12 PolarHBondContact O-OG 3.24Å; E8-S12 VanDerWaalsContact O-OG 3.05Å; I10-S12 PolarHBondContact O-N 3.24Å; S12-V15 PolarHBondContact O-N 3.42Å; S12-Q16 WeakPolarHBondContact O-CB 3.48Å; S12-Q16 PolarHBondContact O-N 2.8Å; S12-H73 PolarHBondContact N-CE1 2.91Å; S12-H73 PolarHBondContact N-NE2 2.97Å; S12-H73 PolarHBondContact OG-CD2 3.03Å; S12-H73 PolarHBondContact OG-NE2 3.02Å
13S98.3Very high97.1Very high74 Ų7460.5 Ų60.552%0.51730%0.297SS..Hα-helixtrans-64.8-41.5175.6-59.10000111.7Q9 I10 G11 H17Q9-S13 WeakPolarHBondContact O-CB 3.33Å; Q9-S13 PolarHBondContact O-N 3.07Å; Q9-S13 VanDerWaalsContact O-N 3.09Å; Q9-S13 PolarHBondContact O-OG 2.7Å; I10-S13 PolarHBondContact O-N 3.31Å; G11-S13 PolarHBondContact O-N 3.04Å; S13-H17 WeakPolarHBondContact O-CB 3.24Å; S13-H17 PolarHBondContact O-N 3.16Å
14F98.6Very high97.6Very high17 Ų1756.6 Ų56.68%0.07529%0.286CS..Hα-helixtrans-62.2-48.6175174.5-87.5000111.4I10 G11 Q16 H17 Y18 I32 F103 L105 C114I10-F14 WeakPolarHBondContact O-CB 3.45Å; I10-F14 PolarHBondContact O-N 3.26Å; G11-F14 PolarHBondContact O-N 3.48Å; F14-Q16 VanDerWaalsContact C-N 3.35Å; F14-Q16 PolarHBondContact O-N 2.89Å; F14-H17 PolarHBondContact O-N 3.37Å; F14-Y18 HydrophobicContact CE1-CD2 4.41Å; F14-Y18 HydrophobicContact CZ-CD2 4.28Å; F14-Y18 WeakPolarHBondContact O-CB 3.37Å; F14-Y18 PolarHBondContact O-N 3Å; F14-I32 HydrophobicContact CE2-CB 4.17Å; F14-I32 HydrophobicContact CE2-CD1 4.12Å; F14-I32 HydrophobicContact CE2-CG2 4.36Å; F14-I32 HydrophobicContact CZ-CD1 3.95Å; F14-F103 HydrophobicContact CE1-CB 4.11Å; F14-F103 AromaticContact CE1-CD1 3.77Å; F14-F103 HydrophobicContact CE1-CD1 3.77Å; F14-F103 HydrophobicContact CE1-CD2 4.09Å; F14-F103 HydrophobicContact CE1-CE1 4.13Å; F14-F103 HydrophobicContact CE1-CE2 4.43Å; F14-F103 AromaticContact CE1-CG 3.73Å; F14-F103 HydrophobicContact CE1-CG 3.73Å; F14-F103 HydrophobicContact CE1-CZ 4.42Å; F14-F103 HydrophobicContact CZ-CD1 4.23Å; F14-L105 HydrophobicContact CB-CD1 3.61Å; F14-L105 HydrophobicContact CD1-CD1 3.94Å; F14-L105 HydrophobicContact CD1-CD2 3.69Å; F14-L105 HydrophobicContact CD1-CG 4.38Å; F14-L105 HydrophobicContact CD2-CD1 4.04Å; F14-L105 HydrophobicContact CD2-CD2 3.62Å; F14-L105 HydrophobicContact CD2-CG 4.49Å; F14-L105 HydrophobicContact CE1-CD2 3.63Å; F14-L105 HydrophobicContact CE2-CD2 3.54Å; F14-L105 HydrophobicContact CG-CD1 3.57Å; F14-L105 HydrophobicContact CG-CD2 3.7Å; F14-L105 HydrophobicContact CG-CG 4.28Å; F14-L105 HydrophobicContact CZ-CD2 3.55Å; F14-C114 HydrophobicContact CE2-CB 4.03Å; F14-C114 HydrophobicContact CZ-CB 3.74Å
15V98.6Very high97.6Very high1 Ų153.6 Ų53.61%0.00628%0.275CS..Hα-helixtrans-58.1-47.4178.71620000110.9G11 S12 H17 Y18 Y19 I68 Q71 V85G11-V15 WeakPolarHBondContact O-CG2 3.4Å; G11-V15 PolarHBondContact O-N 3.37Å; S12-V15 PolarHBondContact O-N 3.42Å; V15-H17 VanDerWaalsContact C-N 3.35Å; V15-H17 PolarHBondContact O-N 3.34Å; V15-Y18 PolarHBondContact O-N 3.29Å; V15-Y19 HydrophobicContact CG1-CD2 3.83Å; V15-Y19 HydrophobicContact CG1-CE2 3.82Å; V15-Y19 WeakPolarHBondContact O-CD2 3.24Å; V15-Y19 PolarHBondContact O-N 3.05Å; V15-Y19 VanDerWaalsContact O-N 3.12Å; V15-I68 HydrophobicContact CG1-CG1 4.45Å; V15-Q71 VanDerWaalsContact CG1-OE1 3.31Å; V15-V85 HydrophobicContact CG1-CG2 4.23Å; V15-V85 HydrophobicContact CG2-CG2 3.7Å
16Q98.3Very high97.4Very high138 Ų13853.3 Ų53.365%0.64527%0.268SS*.Hα-helixtrans-58.2-47.7176.2-178.6178.3-1.800111.6S12 F14 Q20S12-Q16 WeakPolarHBondContact O-CB 3.48Å; S12-Q16 PolarHBondContact O-N 2.8Å; F14-Q16 VanDerWaalsContact C-N 3.35Å; F14-Q16 PolarHBondContact O-N 2.89Å; Q16-Q20 VanDerWaalsContact O-CB 3.26Å; Q16-Q20 WeakPolarHBondContact O-CB 3.47Å; Q16-Q20 PolarHBondContact O-N 3.47Å
17H98.1Very high97Very high87 Ų8752.3 Ų52.340%0.40327%0.267SS..Hα-helixtrans-64.8-43.2-179.6-175.356000112.4S13 F14 V15 Q20 L21S13-H17 WeakPolarHBondContact O-CB 3.24Å; S13-H17 PolarHBondContact O-N 3.16Å; F14-H17 PolarHBondContact O-N 3.37Å; V15-H17 VanDerWaalsContact C-N 3.35Å; V15-H17 PolarHBondContact O-N 3.34Å; H17-Q20 PolarHBondContact O-N 2.94Å; H17-L21 WeakPolarHBondContact NE2-CD1 3.47Å; H17-L21 WeakPolarHBondContact O-CG 3.26Å; H17-L21 PolarHBondContact O-N 2.68Å
18Y98.6Very high96.8Very high0 Ų053 Ų530%027%0.274CS..Hα-helixtrans-55.5-56.9177.7177.2-86.2000111.1F14 V15 Q20 L21 F22 L29 I32 Y33 Q101 F103F14-Y18 HydrophobicContact CE1-CD2 4.41Å; F14-Y18 HydrophobicContact CZ-CD2 4.28Å; F14-Y18 WeakPolarHBondContact O-CB 3.37Å; F14-Y18 PolarHBondContact O-N 3Å; V15-Y18 PolarHBondContact O-N 3.29Å; Y18-Q20 PolarHBondContact O-N 3.31Å; Y18-L21 PolarHBondContact O-N 2.92Å; Y18-F22 HydrophobicContact CE1-CB 4.45Å; Y18-F22 AromaticContact CE1-CD2 3.78Å; Y18-F22 HydrophobicContact CE1-CD2 3.78Å; Y18-F22 HydrophobicContact CE1-CG 4.44Å; Y18-F22 AromaticContact CZ-CD2 3.71Å; Y18-F22 WeakPolarHBondContact O-CB 3.4Å; Y18-F22 PolarHBondContact O-N 2.95Å; Y18-F22 WeakPolarHBondContact OH-CD2 3.5Å; Y18-F22 WeakPolarHBondContact OH-CE2 3.43Å; Y18-L29 HydrophobicContact CD2-CD2 3.98Å; Y18-L29 HydrophobicContact CE2-CD2 4.07Å; Y18-I32 HydrophobicContact CD2-CD1 3.42Å; Y18-I32 VanDerWaalsContact CD2-CD1 3.42Å; Y18-I32 HydrophobicContact CE2-CD1 3.94Å; Y18-Y33 WeakPolarHBondContact CE2-OH 3.36Å; Y18-Q101 PolarHBondContact OH-NE2 3.45Å; Y18-F103 HydrophobicContact CD1-CE1 4.4Å; Y18-F103 AromaticContact CD1-CZ 3.78Å; Y18-F103 HydrophobicContact CD1-CZ 3.78Å; Y18-F103 AromaticContact CD2-CE1 3.83Å; Y18-F103 HydrophobicContact CD2-CE1 3.83Å; Y18-F103 HydrophobicContact CD2-CZ 4.01Å; Y18-F103 HydrophobicContact CE1-CE1 4.27Å; Y18-F103 AromaticContact CE1-CZ 3.79Å; Y18-F103 HydrophobicContact CE1-CZ 3.79Å; Y18-F103 AromaticContact CE2-CE1 3.69Å; Y18-F103 HydrophobicContact CE2-CE1 3.69Å; Y18-F103 HydrophobicContact CE2-CZ 4.03Å; Y18-F103 HydrophobicContact CG-CE1 4.22Å; Y18-F103 AromaticContact CG-CZ 3.92Å; Y18-F103 HydrophobicContact CG-CZ 3.92Å; Y18-F103 AromaticContact CZ-CE1 3.93Å; Y18-F103 AromaticContact CZ-CZ 3.94Å
19Y98.4Very high96.6Very high11 Ų1150.3 Ų50.34%0.04326%0.261CS..Hα-helixtrans-70.7-32.5-176.1-70-67.4000112.5V15 F22 D23 H66 I68 V85 F99 Q101V15-Y19 HydrophobicContact CG1-CD2 3.83Å; V15-Y19 HydrophobicContact CG1-CE2 3.82Å; V15-Y19 WeakPolarHBondContact O-CD2 3.24Å; V15-Y19 PolarHBondContact O-N 3.05Å; V15-Y19 VanDerWaalsContact O-N 3.12Å; Y19-F22 PolarHBondContact O-N 2.83Å; Y19-D23 WeakPolarHBondContact O-CB 3.24Å; Y19-D23 VanDerWaalsContact O-CG 3.25Å; Y19-D23 PolarHBondContact O-N 3.31Å; Y19-H66 HydrophobicContact CD1-CB 3.61Å; Y19-H66 AromaticContact CD1-CD2 3.72Å; Y19-H66 AromaticContact CD1-CG 3.43Å; Y19-H66 VanDerWaalsContact CD1-CG 3.43Å; Y19-H66 AromaticContact CD1-ND1 3.78Å; Y19-H66 HydrophobicContact CE1-CB 4.23Å; Y19-H66 AromaticContact CE1-CD2 3.64Å; Y19-H66 AromaticContact CE1-CG 3.85Å; Y19-H66 HydrophobicContact CG-CB 4.13Å; Y19-I68 HydrophobicContact CD1-CD1 4.46Å; Y19-I68 HydrophobicContact CD2-CD1 3.46Å; Y19-I68 VanDerWaalsContact CD2-CD1 3.46Å; Y19-I68 HydrophobicContact CD2-CG1 4.14Å; Y19-I68 HydrophobicContact CE1-CD1 4.44Å; Y19-I68 HydrophobicContact CE2-CD1 3.42Å; Y19-I68 VanDerWaalsContact CE2-CD1 3.42Å; Y19-I68 HydrophobicContact CE2-CG1 4.39Å; Y19-I68 HydrophobicContact CG-CD1 4.01Å; Y19-V85 HydrophobicContact CE2-CG1 3.94Å; Y19-V85 HydrophobicContact CE2-CG2 4.42Å; Y19-F99 HydrophobicContact CE1-CE2 4.11Å; Y19-F99 AromaticContact CE1-CZ 3.94Å; Y19-F99 HydrophobicContact CE1-CZ 3.94Å; Y19-F99 AromaticContact CZ-CE2 3.85Å; Y19-F99 AromaticContact CZ-CZ 3.86Å; Y19-F99 VanDerWaalsContact OH-CE2 3.23Å; Y19-F99 WeakPolarHBondContact OH-CE2 3.24Å; Y19-Q101 WeakPolarHBondContact OH-CB 3.24Å; Y19-Q101 PolarHBondContact OH-OE1 2.86Å
20Q97.8Very high96.5Very high113 Ų11346.4 Ų46.453%0.52825%0.245SC..Hα-helixtrans-59.6-48.3172.1-178179-4.300111.3Q16 H17 Y18 T24Q16-Q20 VanDerWaalsContact O-CB 3.26Å; Q16-Q20 WeakPolarHBondContact O-CB 3.47Å; Q16-Q20 PolarHBondContact O-N 3.47Å; H17-Q20 PolarHBondContact O-N 2.94Å; Y18-Q20 PolarHBondContact O-N 3.31Å; Q20-T24 WeakPolarHBondContact O-CB 3.41Å; Q20-T24 WeakPolarHBondContact O-CG2 3.47Å; Q20-T24 PolarHBondContact O-N 2.87Å; Q20-T24 PolarHBondContact O-OG1 3.31Å
21L96.5Very high96.3Very high19 Ų1948.5 Ų48.510%0.09927%0.267CS..Hα-helixtrans-64.4-42.8175.7-72.5-178.2000111.5H17 Y18 D23 T24 D25 R26 Q28 L29H17-L21 WeakPolarHBondContact NE2-CD1 3.47Å; H17-L21 WeakPolarHBondContact O-CG 3.26Å; H17-L21 PolarHBondContact O-N 2.68Å; Y18-L21 PolarHBondContact O-N 2.92Å; L21-D23 VanDerWaalsContact C-N 3.32Å; L21-D23 PolarHBondContact O-N 2.79Å; L21-T24 PolarHBondContact O-N 2.97Å; L21-D25 CarbonylContact O-C 3.55Å; L21-D25 WeakPolarHBondContact O-CA 3.45Å; L21-D25 PolarHBondContact O-N 3.46Å; L21-R26 PolarHBondContact O-N 3.04Å; L21-R26 VanDerWaalsContact O-N 3.16Å; L21-Q28 HydrophobicContact CD2-CB 4.14Å; L21-L29 HydrophobicContact CB-CD2 3.73Å; L21-L29 HydrophobicContact CB-CG 4.23Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å
22F97.5Very high96.3Very high2 Ų249 Ų491%0.00927%0.27CS..Hα-helixtrans-59-43.7-179.3-157.5-70.3000112.3Y18 Y19 L29 W41 L56 L59 F61 I64 H66Y18-F22 HydrophobicContact CE1-CB 4.45Å; Y18-F22 AromaticContact CE1-CD2 3.78Å; Y18-F22 HydrophobicContact CE1-CD2 3.78Å; Y18-F22 HydrophobicContact CE1-CG 4.44Å; Y18-F22 AromaticContact CZ-CD2 3.71Å; Y18-F22 WeakPolarHBondContact O-CB 3.4Å; Y18-F22 PolarHBondContact O-N 2.95Å; Y18-F22 WeakPolarHBondContact OH-CD2 3.5Å; Y18-F22 WeakPolarHBondContact OH-CE2 3.43Å; Y19-F22 PolarHBondContact O-N 2.83Å; F22-L29 HydrophobicContact CB-CD1 4.15Å; F22-L29 HydrophobicContact CD2-CD1 3.42Å; F22-L29 VanDerWaalsContact CD2-CD1 3.42Å; F22-L29 HydrophobicContact CE2-CD1 4.11Å; F22-L29 HydrophobicContact CG-CD1 4.05Å; F22-W41 HydrophobicContact CE2-CH2 4.11Å; F22-W41 HydrophobicContact CE2-CZ3 4.06Å; F22-W41 AromaticContact CZ-CH2 3.67Å; F22-W41 HydrophobicContact CZ-CH2 3.67Å; F22-W41 HydrophobicContact CZ-CZ3 4.1Å; F22-L56 HydrophobicContact CE2-CD1 4.5Å; F22-L56 HydrophobicContact CE2-CD2 3.91Å; F22-L56 HydrophobicContact CZ-CD2 4.38Å; F22-L59 HydrophobicContact CZ-CD1 3.78Å; F22-F61 HydrophobicContact CE1-CE2 4.16Å; F22-F61 AromaticContact CE1-CZ 3.74Å; F22-F61 HydrophobicContact CE1-CZ 3.74Å; F22-F61 HydrophobicContact CZ-CZ 4.21Å; F22-I64 HydrophobicContact CD1-CG2 3.76Å; F22-I64 HydrophobicContact CE1-CD1 4.09Å; F22-I64 HydrophobicContact CE1-CG2 3.95Å; F22-H66 AromaticContact CD1-CE1 3.5Å; F22-H66 VanDerWaalsContact CD1-CE1 3.5Å; F22-H66 WeakPolarHBondContact CD1-CE1 3.36Å; F22-H66 AromaticContact CE1-CE1 3.78Å
23D97.2Very high96.3Very high51 Ų5148 Ų4827%0.27326%0.262SS..Hα-helixtrans-76.8-26.5-176.8-69.4-3.4000113Y19 L21 A65 H66Y19-D23 WeakPolarHBondContact O-CB 3.24Å; Y19-D23 VanDerWaalsContact O-CG 3.25Å; Y19-D23 PolarHBondContact O-N 3.31Å; L21-D23 VanDerWaalsContact C-N 3.32Å; L21-D23 PolarHBondContact O-N 2.79Å; D23-A65 WeakPolarHBondContact OD2-CA 3.39Å; D23-H66 IonicContact OD1-CE1 3.52Å; D23-H66 IonicContact OD1-CG 2.73Å; D23-H66 IonicContact OD1-ND1 2.68Å; D23-H66 PolarHBondContact OD1-ND1 2.7Å; D23-H66 PolarHBondContact OD2-N 2.78Å; D23-H66 IonicContact OD2-ND1 3.93Å
24T95.6Very high96.3Very high105 Ų10546.8 Ų46.864%0.64425%0.249SC*.Hα-helixtrans-102.4-49.5-174.556.90000113.5Q20 L21Q20-T24 WeakPolarHBondContact O-CB 3.41Å; Q20-T24 WeakPolarHBondContact O-CG2 3.47Å; Q20-T24 PolarHBondContact O-N 2.87Å; Q20-T24 PolarHBondContact O-OG1 3.31Å; L21-T24 PolarHBondContact O-N 2.97Å
25D93.2Very high96.3Very high57 Ų5752.5 Ų52.531%0.30528%0.281SS..Hα-helixtrans-156.883.5-179.7-174.81.2000111.1L21 T27 Q28L21-D25 CarbonylContact O-C 3.55Å; L21-D25 WeakPolarHBondContact O-CA 3.45Å; L21-D25 PolarHBondContact O-N 3.46Å; D25-T27 PolarHBondContact O-N 3.4Å; D25-T27 WeakPolarHBondContact OD1-CB 2.95Å; D25-T27 PolarHBondContact OD1-N 2.85Å; D25-T27 PolarHBondContact OD1-OG1 2.99Å; D25-Q28 HydrophobicContact CB-CG 4.4Å; D25-Q28 PolarHBondContact O-N 3.42Å; D25-Q28 WeakPolarHBondContact OD2-CG 3.46Å; D25-Q28 PolarHBondContact OD2-NE2 3.47Å
26R91.9Very high96.2Very high44 Ų4455.7 Ų55.717%0.16631%0.307CS..G310 helixtrans-60.5-15.4-179.862.4-171.1176.2-110.49.9114.5L21 Q28 L29 L56 F61L21-R26 PolarHBondContact O-N 3.04Å; L21-R26 VanDerWaalsContact O-N 3.16Å; R26-Q28 PolarHBondContact O-N 3.23Å; R26-L29 HydrophobicContact CB-CD1 3.93Å; R26-L29 WeakPolarHBondContact O-CB 3.26Å; R26-L29 PolarHBondContact O-N 3.43Å; R26-L56 VanDerWaalsContact CD-O 3.24Å; R26-L56 WeakPolarHBondContact CD-O 3.44Å; R26-L56 PolarHBondContact NE-O 3.12Å; R26-F61 PolarHBondContact NH2-O 2.97Å
27T89.4Confident96.3Very high83 Ų8349.1 Ų49.151%0.50928%0.276SS..G310 helixtrans-66.9-23.9175.973.20000111.9D25 L29D25-T27 PolarHBondContact O-N 3.4Å; D25-T27 WeakPolarHBondContact OD1-CB 2.95Å; D25-T27 PolarHBondContact OD1-N 2.85Å; D25-T27 PolarHBondContact OD1-OG1 2.99Å; T27-L29 VanDerWaalsContact C-N 3.33Å
28Q93.3Very high96.3Very high107 Ų10747.2 Ų47.250%0.527%0.272SS..G310 helixtrans-81.1-9.9178.5-62.6-173.540.800113.7L21 D25 R26 G30 A31L21-Q28 HydrophobicContact CD2-CB 4.14Å; D25-Q28 HydrophobicContact CB-CG 4.4Å; D25-Q28 PolarHBondContact O-N 3.42Å; D25-Q28 WeakPolarHBondContact OD2-CG 3.46Å; D25-Q28 PolarHBondContact OD2-NE2 3.47Å; R26-Q28 PolarHBondContact O-N 3.23Å; Q28-G30 PolarHBondContact O-N 3.08Å; Q28-A31 WeakPolarHBondContact O-CB 3.45Å; Q28-A31 PolarHBondContact O-N 2.89Å
29L95Very high96.3Very high0 Ų047.2 Ų47.20%027%0.272CS..G310 helixtrans-61.1-16.1177-71.4169.4000112.7Y18 L21 F22 R26 T27 A31 I32 Y33 L56Y18-L29 HydrophobicContact CD2-CD2 3.98Å; Y18-L29 HydrophobicContact CE2-CD2 4.07Å; L21-L29 HydrophobicContact CB-CD2 3.73Å; L21-L29 HydrophobicContact CB-CG 4.23Å; L21-L29 HydrophobicContact CD1-CD2 4.26Å; F22-L29 HydrophobicContact CB-CD1 4.15Å; F22-L29 HydrophobicContact CD2-CD1 3.42Å; F22-L29 VanDerWaalsContact CD2-CD1 3.42Å; F22-L29 HydrophobicContact CE2-CD1 4.11Å; F22-L29 HydrophobicContact CG-CD1 4.05Å; R26-L29 HydrophobicContact CB-CD1 3.93Å; R26-L29 WeakPolarHBondContact O-CB 3.26Å; R26-L29 PolarHBondContact O-N 3.43Å; T27-L29 VanDerWaalsContact C-N 3.33Å; L29-A31 PolarHBondContact O-N 2.96Å; L29-A31 VanDerWaalsContact O-N 3.08Å; L29-I32 HydrophobicContact CD2-CD1 3.91Å; L29-I32 HydrophobicContact CD2-CG1 4.47Å; L29-I32 WeakPolarHBondContact O-CG1 2.98Å; L29-I32 PolarHBondContact O-N 3.19Å; L29-Y33 HydrophobicContact CB-CE2 4.22Å; L29-Y33 WeakPolarHBondContact O-CD2 3.11Å; L29-L56 HydrophobicContact CB-CD1 4.33Å; L29-L56 HydrophobicContact CD1-CD1 3.73Å
30G94.9Very high96.3Very high6 Ų648.7 Ų48.76%0.06228%0.282CS..G310 helixtrans-56.2-24.5170.600000114Q28 I32 K49Q28-G30 PolarHBondContact O-N 3.08Å; G30-I32 VanDerWaalsContact C-N 3.3Å; G30-I32 PolarHBondContact O-N 3.03Å; G30-K49 WeakPolarHBondContact O-CD 3.24Å; G30-K49 WeakPolarHBondContact O-CE 3.39Å; G30-K49 PolarHBondContact O-NZ 2.95Å
31A95.3Very high96.4Very high78 Ų7844.3 Ų44.365%0.64526%0.261SS*.G310 helixtrans-68.2-26.7-178.900000113.8Q28 L29Q28-A31 WeakPolarHBondContact O-CB 3.45Å; Q28-A31 PolarHBondContact O-N 2.89Å; L29-A31 PolarHBondContact O-N 2.96Å; L29-A31 VanDerWaalsContact O-N 3.08Å
32I97Very high96.4Very high11 Ų1146.2 Ų46.26%0.05627%0.269CS..THydrogen-bonded Turntrans-92.5-12.7-177.557.8159.1000113.4F14 Y18 L29 G30 C114F14-I32 HydrophobicContact CE2-CB 4.17Å; F14-I32 HydrophobicContact CE2-CD1 4.12Å; F14-I32 HydrophobicContact CE2-CG2 4.36Å; F14-I32 HydrophobicContact CZ-CD1 3.95Å; Y18-I32 HydrophobicContact CD2-CD1 3.42Å; Y18-I32 VanDerWaalsContact CD2-CD1 3.42Å; Y18-I32 HydrophobicContact CE2-CD1 3.94Å; L29-I32 HydrophobicContact CD2-CD1 3.91Å; L29-I32 HydrophobicContact CD2-CG1 4.47Å; L29-I32 WeakPolarHBondContact O-CG1 2.98Å; L29-I32 PolarHBondContact O-N 3.19Å; G30-I32 VanDerWaalsContact C-N 3.3Å; G30-I32 PolarHBondContact O-N 3.03Å; I32-C114 PolarHBondContact O-N 2.9Å
33Y98.4Very high96.3Very high5 Ų547.9 Ų47.92%0.0229%0.287CS..EExtended strand (participates in β ladder)trans-102.7158.9178.6-60.5-70.5000112Y18 L29 I52 L56 C114 D117Y18-Y33 WeakPolarHBondContact CE2-OH 3.36Å; L29-Y33 HydrophobicContact CB-CE2 4.22Å; L29-Y33 WeakPolarHBondContact O-CD2 3.11Å; Y33-I52 HydrophobicContact CD1-CD1 4.06Å; Y33-I52 HydrophobicContact CD1-CG2 4.36Å; Y33-I52 HydrophobicContact CD2-CG2 3.65Å; Y33-I52 HydrophobicContact CE1-CD1 4.42Å; Y33-I52 HydrophobicContact CE1-CG2 4.18Å; Y33-I52 HydrophobicContact CE2-CG2 3.45Å; Y33-I52 VanDerWaalsContact CE2-CG2 3.45Å; Y33-I52 HydrophobicContact CG-CD1 4.28Å; Y33-I52 HydrophobicContact CG-CG2 4.11Å; Y33-L56 HydrophobicContact CE2-CD1 4.11Å; Y33-C114 HydrophobicContact CD1-CB 3.96Å; Y33-C114 HydrophobicContact CE1-CB 3.99Å; Y33-D117 HydrophobicContact CE1-CB 4.16Å; Y33-D117 PolarHBondContact OH-OD2 3.24Å
34I98.4Very high96.4Very high48 Ų4850.6 Ų50.625%0.24630%0.298CS..EExtended strand (participates in β ladder)trans-123.1171.9175.758.8169.9000110.5A36 S37 K49 I108 V113 T115I34-A36 HydrophobicContact CD1-CB 4.09Å; I34-A36 HydrophobicContact CG1-CB 4.38Å; I34-A36 PolarHBondContact O-N 3.39Å; I34-S37 VanDerWaalsContact CG1-OG 3.29Å; I34-S37 WeakPolarHBondContact CG1-OG 3.37Å; I34-S37 PolarHBondContact N-OG 2.79Å; I34-S37 VanDerWaalsContact O-CB 3.27Å; I34-S37 WeakPolarHBondContact O-CB 3.35Å; I34-S37 PolarHBondContact O-N 3.2Å; I34-S37 PolarHBondContact O-OG 3.44Å; I34-K49 PolarHBondContact O-N 2.79Å; I34-I108 HydrophobicContact CD1-CD1 3.76Å; I34-V113 HydrophobicContact CD1-CG2 4.23Å; I34-V113 HydrophobicContact CG2-CB 4.01Å; I34-V113 HydrophobicContact CG2-CG1 4Å; I34-V113 HydrophobicContact CG2-CG2 3.94Å; I34-T115 HydrophobicContact CD1-CG2 4.32Å
35D98.3Very high96.5Very high137 Ų13753.5 Ų53.573%0.73330%0.304SS*.EExtended strand (participates in β ladder)trans-64.1-22.3-179.4-64.6-19.7000113.3G48D35-G48 WeakPolarHBondContact O-CA 3.37Å
36A98Very high96.8Very high67 Ų6752.9 Ų52.955%0.55430%0.299SS*.EExtended strand (participates in β ladder)trans-90.50.9175.200000113.9I34I34-A36 HydrophobicContact CD1-CB 4.09Å; I34-A36 HydrophobicContact CG1-CB 4.38Å; I34-A36 PolarHBondContact O-N 3.39Å
37S98.8Very high97.1Very high0 Ų057.9 Ų57.90%032%0.324CS..EExtended strand (participates in β ladder)trans-68.2146.1-178.4-63.70000111.8I34 G48 C114 T115I34-S37 VanDerWaalsContact CG1-OG 3.29Å; I34-S37 WeakPolarHBondContact CG1-OG 3.37Å; I34-S37 PolarHBondContact N-OG 2.79Å; I34-S37 VanDerWaalsContact O-CB 3.27Å; I34-S37 WeakPolarHBondContact O-CB 3.35Å; I34-S37 PolarHBondContact O-N 3.2Å; I34-S37 PolarHBondContact O-OG 3.44Å; S37-G48 PolarHBondContact O-N 2.94Å; S37-C114 WeakPolarHBondContact CB-O 3.33Å; S37-C114 PolarHBondContact OG-O 2.99Å; S37-T115 CarbonylContact C-O 3.46Å; S37-T115 VanDerWaalsContact CA-O 3.29Å; S37-T115 WeakPolarHBondContact CA-O 3.43Å
38C98.8Very high97.5Very high47 Ų4754.4 Ų54.432%0.31831%0.305SS..EExtended strand (participates in β ladder)trans-122.3127.1174.4-65.30000110.3T115 N116 D117C38-T115 PolarHBondContact N-O 3.44Å; C38-N116 CarbonylContact O-C 3.59Å; C38-N116 WeakPolarHBondContact O-CA 3.26Å; C38-D117 PolarHBondContact O-N 2.99Å
39L98.9Very high97.8Very high1 Ų153.2 Ų53.21%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-108.4135.7170.4171.165.3000109.6W41 Q45 F46 I52 K55 L56 D117L39-W41 HydrophobicContact CD1-CB 4.38Å; L39-W41 HydrophobicContact CD1-CE3 4.34Å; L39-W41 HydrophobicContact CD2-CB 4.18Å; L39-W41 HydrophobicContact CG-CB 4.19Å; L39-Q45 CarbonylContact O-C 3.49Å; L39-Q45 WeakPolarHBondContact O-CA 3.47Å; L39-F46 HydrophobicContact CB-CB 4.28Å; L39-F46 HydrophobicContact CD2-CD2 4.15Å; L39-F46 HydrophobicContact CG-CD2 4.28Å; L39-F46 PolarHBondContact N-O 3.43Å; L39-F46 PolarHBondContact O-N 2.97Å; L39-I52 HydrophobicContact CB-CD1 4.04Å; L39-I52 HydrophobicContact CB-CG1 3.72Å; L39-I52 HydrophobicContact CB-CG2 4.41Å; L39-I52 HydrophobicContact CD2-CG2 4.1Å; L39-K55 HydrophobicContact CD2-CG 4.31Å; L39-L56 HydrophobicContact CD2-CD2 4.14Å; L39-L56 HydrophobicContact CD2-CG 4.43Å; L39-D117 CarbonylContact C-O 3.49Å; L39-D117 VanDerWaalsContact CA-O 3.28Å; L39-D117 WeakPolarHBondContact CA-O 3.31Å; L39-D117 HydrophobicContact CD1-CB 3.82Å
40T98.8Very high97.9Very high41 Ų4157 Ų5725%0.25233%0.33SS..EExtended strand (participates in β ladder)trans-115.3111160.4-58.40000108.9Q44 D117 M118 F119T40-Q44 CarbonylContact C-O 3.5Å; T40-Q44 VanDerWaalsContact CA-O 3.27Å; T40-Q44 WeakPolarHBondContact CA-O 3.33Å; T40-D117 PolarHBondContact N-O 3.16Å; T40-M118 WeakPolarHBondContact O-CA 3.18Å; T40-F119 PolarHBondContact O-N 3.12Å
41W98.3Very high98Very high21 Ų2158.2 Ų58.28%0.0834%0.339CS..EExtended strand (participates in β ladder)trans-113.7113.9-179.5-174-78.4000109.7F22 L39 G43 Q44 F46 L56 L59 F119F22-W41 HydrophobicContact CE2-CH2 4.11Å; F22-W41 HydrophobicContact CE2-CZ3 4.06Å; F22-W41 AromaticContact CZ-CH2 3.67Å; F22-W41 HydrophobicContact CZ-CH2 3.67Å; F22-W41 HydrophobicContact CZ-CZ3 4.1Å; L39-W41 HydrophobicContact CD1-CB 4.38Å; L39-W41 HydrophobicContact CD1-CE3 4.34Å; L39-W41 HydrophobicContact CD2-CB 4.18Å; L39-W41 HydrophobicContact CG-CB 4.19Å; W41-G43 PolarHBondContact O-N 3.05Å; W41-G43 VanDerWaalsContact O-N 3.11Å; W41-Q44 PolarHBondContact N-O 3.09Å; W41-Q44 WeakPolarHBondContact O-CB 3.23Å; W41-Q44 PolarHBondContact O-N 2.71Å; W41-F46 HydrophobicContact CB-CE2 4.14Å; W41-L56 HydrophobicContact CE3-CD2 3.78Å; W41-L56 HydrophobicContact CH2-CD2 4.47Å; W41-L56 HydrophobicContact CZ3-CD2 3.75Å; W41-L59 HydrophobicContact CH2-CD1 3.78Å; W41-L59 HydrophobicContact CZ2-CD1 3.55Å; W41-L59 HydrophobicContact CZ2-CD2 3.91Å; W41-L59 HydrophobicContact CZ2-CG 4.41Å; W41-L59 HydrophobicContact CZ3-CD1 4.46Å; W41-F119 HydrophobicContact CD2-CB 4.28Å; W41-F119 AromaticContact CD2-CD1 3.71Å; W41-F119 HydrophobicContact CD2-CD1 3.71Å; W41-F119 HydrophobicContact CD2-CE1 4.41Å; W41-F119 HydrophobicContact CD2-CG 4.19Å; W41-F119 AromaticContact CE2-CD1 3.64Å; W41-F119 AromaticContact CE2-CE1 3.87Å; W41-F119 HydrophobicContact CE3-CB 3.69Å; W41-F119 AromaticContact CE3-CD1 3.77Å; W41-F119 HydrophobicContact CE3-CD1 3.77Å; W41-F119 AromaticContact CE3-CG 3.77Å; W41-F119 HydrophobicContact CE3-CG 3.77Å; W41-F119 HydrophobicContact CG-CD1 4.4Å; W41-F119 AromaticContact CH2-CD1 3.71Å; W41-F119 HydrophobicContact CH2-CD1 3.71Å; W41-F119 HydrophobicContact CH2-CD2 4.08Å; W41-F119 AromaticContact CH2-CE1 3.78Å; W41-F119 HydrophobicContact CH2-CE1 3.78Å; W41-F119 HydrophobicContact CH2-CE2 4.13Å; W41-F119 AromaticContact CH2-CG 3.87Å; W41-F119 HydrophobicContact CH2-CG 3.87Å; W41-F119 AromaticContact CH2-CZ 3.99Å; W41-F119 HydrophobicContact CH2-CZ 3.99Å; W41-F119 AromaticContact CZ2-CD1 3.66Å; W41-F119 HydrophobicContact CZ2-CD1 3.66Å; W41-F119 AromaticContact CZ2-CE1 3.55Å; W41-F119 HydrophobicContact CZ2-CE1 3.55Å; W41-F119 HydrophobicContact CZ2-CG 4.3Å; W41-F119 HydrophobicContact CZ2-CZ 4.08Å; W41-F119 HydrophobicContact CZ3-CB 3.88Å; W41-F119 AromaticContact CZ3-CD1 3.77Å; W41-F119 HydrophobicContact CZ3-CD1 3.77Å; W41-F119 AromaticContact CZ3-CD2 3.99Å; W41-F119 HydrophobicContact CZ3-CD2 3.99Å; W41-F119 HydrophobicContact CZ3-CE1 4.32Å; W41-F119 HydrophobicContact CZ3-CE2 4.49Å; W41-F119 AromaticContact CZ3-CG 3.59Å; W41-F119 HydrophobicContact CZ3-CG 3.59Å
42E97.1Very high98.2Very high60 Ų6054.5 Ų54.528%0.2831%0.308SS..THydrogen-bonded Turntrans53.531-177.1-73.7-58.6149.500114.1Q44 F119 R120 L121E42-Q44 VanDerWaalsContact C-N 3.32Å; E42-F119 PolarHBondContact N-O 3.32Å; E42-F119 VanDerWaalsContact N-O 3.09Å; E42-R120 VanDerWaalsContact C-CZ 3.44Å; E42-R120 PolarHBondContact O-NH1 2.89Å; E42-R120 IonicContact OE2-NH1 3.09Å; E42-R120 PolarHBondContact OE2-NH1 3.3Å; E42-R120 VanDerWaalsContact OE2-NH1 3.09Å; E42-L121 WeakPolarHBondContact OE1-CB 3.48Å; E42-L121 WeakPolarHBondContact OE1-CG 3.26Å; E42-L121 PolarHBondContact OE1-N 3.49Å
43G96.5Very high98.1Very high37 Ų3755.5 Ų55.538%0.38132%0.315SS..THydrogen-bonded Turntrans86.3-6.3-178.900000115W41 R120W41-G43 PolarHBondContact O-N 3.05Å; W41-G43 VanDerWaalsContact O-N 3.11Å; G43-R120 VanDerWaalsContact CA-NH2 3.34Å
44Q98.2Very high98.1Very high107 Ų10761.7 Ų61.750%0.534%0.344SS..EExtended strand (participates in β ladder)trans-85134.9170.8-62.7179.9-18.600110T40 W41 E42 F46 K55T40-Q44 CarbonylContact C-O 3.5Å; T40-Q44 VanDerWaalsContact CA-O 3.27Å; T40-Q44 WeakPolarHBondContact CA-O 3.33Å; W41-Q44 PolarHBondContact N-O 3.09Å; W41-Q44 WeakPolarHBondContact O-CB 3.23Å; W41-Q44 PolarHBondContact O-N 2.71Å; E42-Q44 VanDerWaalsContact C-N 3.32Å; Q44-F46 HydrophobicContact CB-CE2 3.53Å; Q44-F46 HydrophobicContact CB-CZ 3.74Å; Q44-F46 WeakPolarHBondContact O-CE2 3.24Å; Q44-K55 VanDerWaalsContact OE1-NZ 3.15Å
45Q98.5Very high98Very high167 Ų16761.2 Ų61.278%0.7834%0.34SS*.EExtended strand (participates in β ladder)trans-101.5136.8-177.3-64.2178.738.500111.5L39L39-Q45 CarbonylContact O-C 3.49Å; L39-Q45 WeakPolarHBondContact O-CA 3.47Å
46F98.6Very high97.9Very high44 Ų4454.7 Ų54.719%0.19331%0.305CS..EExtended strand (participates in β ladder)trans-133.8125178.2-53.5-91.9000108.6L39 W41 Q44 A51 I52 K55L39-F46 HydrophobicContact CB-CB 4.28Å; L39-F46 HydrophobicContact CD2-CD2 4.15Å; L39-F46 HydrophobicContact CG-CD2 4.28Å; L39-F46 PolarHBondContact N-O 3.43Å; L39-F46 PolarHBondContact O-N 2.97Å; W41-F46 HydrophobicContact CB-CE2 4.14Å; Q44-F46 HydrophobicContact CB-CE2 3.53Å; Q44-F46 HydrophobicContact CB-CZ 3.74Å; Q44-F46 WeakPolarHBondContact O-CE2 3.24Å; F46-A51 HydrophobicContact CB-CB 4.35Å; F46-I52 HydrophobicContact CB-CG1 4.34Å; F46-K55 HydrophobicContact CD1-CB 3.85Å; F46-K55 HydrophobicContact CD1-CG 4.22Å; F46-K55 HydrophobicContact CD2-CB 4.3Å; F46-K55 HydrophobicContact CD2-CG 3.96Å; F46-K55 HydrophobicContact CE1-CB 3.85Å; F46-K55 HydrophobicContact CE1-CD 3.84Å; F46-K55 HydrophobicContact CE1-CG 3.9Å; F46-K55 HydrophobicContact CE2-CB 4.31Å; F46-K55 HydrophobicContact CE2-CD 3.84Å; F46-K55 HydrophobicContact CE2-CG 3.62Å; F46-K55 HydrophobicContact CG-CB 4.09Å; F46-K55 HydrophobicContact CG-CG 4.27Å; F46-K55 HydrophobicContact CZ-CB 4.11Å; F46-K55 HydrophobicContact CZ-CD 3.4Å; F46-K55 VanDerWaalsContact CZ-CD 3.4Å; F46-K55 HydrophobicContact CZ-CG 3.61Å
47Q98.6Very high97.7Very high149 Ų14953.6 Ų53.670%0.69629%0.294SS*.EExtended strand (participates in β ladder)trans-111.5134.2-179.3-172.4176.911.200110.5A51Q47-A51 WeakPolarHBondContact O-CB 3.5Å
48G98.3Very high97.5Very high10 Ų1058.1 Ų58.110%0.10332%0.321CS..SBendtrans84148178.100000113.9D35 S37 A50 A51 I52D35-G48 WeakPolarHBondContact O-CA 3.37Å; S37-G48 PolarHBondContact O-N 2.94Å; G48-A50 VanDerWaalsContact C-N 3.27Å; G48-A50 PolarHBondContact O-N 3.46Å; G48-A50 VanDerWaalsContact O-N 3.15Å; G48-A51 PolarHBondContact O-N 2.96Å; G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.22Å; G48-I52 PolarHBondContact O-N 2.89Å; G48-I52 VanDerWaalsContact O-N 3.08Å
49K98.1Very high97.3Very high81 Ų8156.5 Ų56.535%0.35231%0.309SS..Hα-helixtrans-46.2-45.5-177.9172.4174.7171.3155.60113.9G30 I34 I52 V53G30-K49 WeakPolarHBondContact O-CD 3.24Å; G30-K49 WeakPolarHBondContact O-CE 3.39Å; G30-K49 PolarHBondContact O-NZ 2.95Å; I34-K49 PolarHBondContact O-N 2.79Å; K49-I52 PolarHBondContact O-N 3.15Å; K49-V53 HydrophobicContact CG-CG2 4.44Å; K49-V53 VanDerWaalsContact O-CG2 3.32Å; K49-V53 WeakPolarHBondContact O-CG2 3.34Å; K49-V53 PolarHBondContact O-N 3.43Å
50A97.3Very high97.1Very high81 Ų8162.6 Ų62.667%0.66935%0.349SS*.Hα-helixtrans-61.9-50.4-177.400000112.4G48 I52 V53 E54G48-A50 VanDerWaalsContact C-N 3.27Å; G48-A50 PolarHBondContact O-N 3.46Å; G48-A50 VanDerWaalsContact O-N 3.15Å; A50-I52 VanDerWaalsContact C-N 3.32Å; A50-I52 PolarHBondContact O-N 2.88Å; A50-V53 PolarHBondContact O-N 3.09Å; A50-E54 WeakPolarHBondContact O-CB 3.32Å; A50-E54 PolarHBondContact O-N 3.19Å
51A98.3Very high96.9Very high31 Ų3161.8 Ų61.826%0.25634%0.342SS..Hα-helixtrans-65.9-35.7179.700000112.1F46 Q47 G48 K55F46-A51 HydrophobicContact CB-CB 4.35Å; Q47-A51 WeakPolarHBondContact O-CB 3.5Å; G48-A51 PolarHBondContact O-N 2.96Å; A51-K55 WeakPolarHBondContact O-CB 3.26Å; A51-K55 PolarHBondContact O-N 2.73Å
52I98.4Very high96.6Very high0 Ų068.1 Ų68.10%038%0.377CS..Hα-helixtrans-62.6-53175.3-67.2173.4000110.5Y33 L39 F46 G48 K49 A50 E54 K55 L56Y33-I52 HydrophobicContact CD1-CD1 4.06Å; Y33-I52 HydrophobicContact CD1-CG2 4.36Å; Y33-I52 HydrophobicContact CD2-CG2 3.65Å; Y33-I52 HydrophobicContact CE1-CD1 4.42Å; Y33-I52 HydrophobicContact CE1-CG2 4.18Å; Y33-I52 HydrophobicContact CE2-CG2 3.45Å; Y33-I52 VanDerWaalsContact CE2-CG2 3.45Å; Y33-I52 HydrophobicContact CG-CD1 4.28Å; Y33-I52 HydrophobicContact CG-CG2 4.11Å; L39-I52 HydrophobicContact CB-CD1 4.04Å; L39-I52 HydrophobicContact CB-CG1 3.72Å; L39-I52 HydrophobicContact CB-CG2 4.41Å; L39-I52 HydrophobicContact CD2-CG2 4.1Å; F46-I52 HydrophobicContact CB-CG1 4.34Å; G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.22Å; G48-I52 PolarHBondContact O-N 2.89Å; G48-I52 VanDerWaalsContact O-N 3.08Å; K49-I52 PolarHBondContact O-N 3.15Å; A50-I52 VanDerWaalsContact C-N 3.32Å; A50-I52 PolarHBondContact O-N 2.88Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 3.38Å; I52-K55 PolarHBondContact O-N 3.21Å; I52-L56 HydrophobicContact CG2-CD1 4.04Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 3.08Å
53V96.6Very high96.4Very high31 Ų3173 Ų7319%0.18840%0.397CS..Hα-helixtrans-62.4-40.4-179.3172.30000111.4K49 A50 L56 S57K49-V53 HydrophobicContact CG-CG2 4.44Å; K49-V53 VanDerWaalsContact O-CG2 3.32Å; K49-V53 WeakPolarHBondContact O-CG2 3.34Å; K49-V53 PolarHBondContact O-N 3.43Å; A50-V53 PolarHBondContact O-N 3.09Å; V53-L56 PolarHBondContact O-N 2.99Å; V53-S57 VanDerWaalsContact O-CB 3.24Å; V53-S57 WeakPolarHBondContact O-CB 3.44Å; V53-S57 PolarHBondContact O-N 2.94Å; V53-S57 PolarHBondContact O-OG 2.82Å
54E96.7Very high96.5Very high135 Ų13572 Ų7263%0.63138%0.382SS*.Hα-helixtrans-59-48.5174.3-178.3179.2-16800111.3A50 I52 L56 S57 T58A50-E54 WeakPolarHBondContact O-CB 3.32Å; A50-E54 PolarHBondContact O-N 3.19Å; I52-E54 VanDerWaalsContact C-N 3.32Å; I52-E54 PolarHBondContact O-N 3.38Å; E54-L56 PolarHBondContact O-N 3.44Å; E54-S57 PolarHBondContact O-N 3.15Å; E54-T58 HydrophobicContact CG-CG2 4.49Å; E54-T58 WeakPolarHBondContact O-CB 3.32Å; E54-T58 VanDerWaalsContact O-CG2 3.26Å; E54-T58 WeakPolarHBondContact O-CG2 3.43Å; E54-T58 PolarHBondContact O-N 2.96Å; E54-T58 PolarHBondContact O-OG1 3.43Å
55K97.1Very high96.5Very high38 Ų3869.5 Ų69.517%0.16538%0.381CS..Hα-helixtrans-59.1-48.5177.9174.657.3-179-171.20112L39 Q44 F46 A51 I52 S57 T58L39-K55 HydrophobicContact CD2-CG 4.31Å; Q44-K55 VanDerWaalsContact OE1-NZ 3.15Å; F46-K55 HydrophobicContact CD1-CB 3.85Å; F46-K55 HydrophobicContact CD1-CG 4.22Å; F46-K55 HydrophobicContact CD2-CB 4.3Å; F46-K55 HydrophobicContact CD2-CG 3.96Å; F46-K55 HydrophobicContact CE1-CB 3.85Å; F46-K55 HydrophobicContact CE1-CD 3.84Å; F46-K55 HydrophobicContact CE1-CG 3.9Å; F46-K55 HydrophobicContact CE2-CB 4.31Å; F46-K55 HydrophobicContact CE2-CD 3.84Å; F46-K55 HydrophobicContact CE2-CG 3.62Å; F46-K55 HydrophobicContact CG-CB 4.09Å; F46-K55 HydrophobicContact CG-CG 4.27Å; F46-K55 HydrophobicContact CZ-CB 4.11Å; F46-K55 HydrophobicContact CZ-CD 3.4Å; F46-K55 VanDerWaalsContact CZ-CD 3.4Å; F46-K55 HydrophobicContact CZ-CG 3.61Å; A51-K55 WeakPolarHBondContact O-CB 3.26Å; A51-K55 PolarHBondContact O-N 2.73Å; I52-K55 PolarHBondContact O-N 3.21Å; K55-S57 VanDerWaalsContact C-N 3.32Å; K55-S57 PolarHBondContact O-N 3.35Å; K55-T58 PolarHBondContact O-N 2.6Å; K55-T58 PolarHBondContact O-OG1 3.36Å
56L96.2Very high96.5Very high0 Ų062.8 Ų62.80%035%0.349CS..Hα-helixtrans-66.2-36.1-179-63.1-178.1000111.8F22 R26 L29 Y33 L39 W41 I52 V53 E54 T58 L59F22-L56 HydrophobicContact CE2-CD1 4.5Å; F22-L56 HydrophobicContact CE2-CD2 3.91Å; F22-L56 HydrophobicContact CZ-CD2 4.38Å; R26-L56 VanDerWaalsContact CD-O 3.24Å; R26-L56 WeakPolarHBondContact CD-O 3.44Å; R26-L56 PolarHBondContact NE-O 3.12Å; L29-L56 HydrophobicContact CB-CD1 4.33Å; L29-L56 HydrophobicContact CD1-CD1 3.73Å; Y33-L56 HydrophobicContact CE2-CD1 4.11Å; L39-L56 HydrophobicContact CD2-CD2 4.14Å; L39-L56 HydrophobicContact CD2-CG 4.43Å; W41-L56 HydrophobicContact CE3-CD2 3.78Å; W41-L56 HydrophobicContact CH2-CD2 4.47Å; W41-L56 HydrophobicContact CZ3-CD2 3.75Å; I52-L56 HydrophobicContact CG2-CD1 4.04Å; I52-L56 HydrophobicContact CG2-CG 4.44Å; I52-L56 WeakPolarHBondContact O-CG 3.36Å; I52-L56 PolarHBondContact O-N 3.08Å; V53-L56 PolarHBondContact O-N 2.99Å; E54-L56 PolarHBondContact O-N 3.44Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.89Å; L56-L59 HydrophobicContact CD2-CD1 4.2Å; L56-L59 WeakPolarHBondContact O-CG 3.4Å
57S93.1Very high96.4Very high45 Ų4564.1 Ų64.132%0.31536%0.364SS..Hα-helixtrans-69.7-31.1178.9-58.40000112.8V53 E54 K55 L59V53-S57 VanDerWaalsContact O-CB 3.24Å; V53-S57 WeakPolarHBondContact O-CB 3.44Å; V53-S57 PolarHBondContact O-N 2.94Å; V53-S57 PolarHBondContact O-OG 2.82Å; E54-S57 PolarHBondContact O-N 3.15Å; K55-S57 VanDerWaalsContact C-N 3.32Å; K55-S57 PolarHBondContact O-N 3.35Å; S57-L59 VanDerWaalsContact C-N 3.35Å
58T94.4Very high96.4Very high95 Ų9559.7 Ų59.758%0.58334%0.344SS*.THydrogen-bonded Turntrans-88.23.7-177.153.60000114.2E54 K55 L56E54-T58 HydrophobicContact CG-CG2 4.49Å; E54-T58 WeakPolarHBondContact O-CB 3.32Å; E54-T58 VanDerWaalsContact O-CG2 3.26Å; E54-T58 WeakPolarHBondContact O-CG2 3.43Å; E54-T58 PolarHBondContact O-N 2.96Å; E54-T58 PolarHBondContact O-OG1 3.43Å; K55-T58 PolarHBondContact O-N 2.6Å; K55-T58 PolarHBondContact O-OG1 3.36Å; L56-T58 VanDerWaalsContact C-N 3.34Å; L56-T58 PolarHBondContact O-N 2.89Å
59L95.6Very high96.4Very high13 Ų1363.9 Ų63.97%0.06837%0.368CS..  trans-62.2136.6176.9-65.4172.6000111.1F22 W41 L56 S57 F61F22-L59 HydrophobicContact CZ-CD1 3.78Å; W41-L59 HydrophobicContact CH2-CD1 3.78Å; W41-L59 HydrophobicContact CZ2-CD1 3.55Å; W41-L59 HydrophobicContact CZ2-CD2 3.91Å; W41-L59 HydrophobicContact CZ2-CG 4.41Å; W41-L59 HydrophobicContact CZ3-CD1 4.46Å; L56-L59 HydrophobicContact CD2-CD1 4.2Å; L56-L59 WeakPolarHBondContact O-CG 3.4Å; S57-L59 VanDerWaalsContact C-N 3.35Å; L59-F61 HydrophobicContact CB-CD1 3.95Å; L59-F61 HydrophobicContact CB-CE1 3.32Å; L59-F61 HydrophobicContact CB-CE2 4.38Å; L59-F61 HydrophobicContact CB-CZ 3.55Å; L59-F61 HydrophobicContact CD1-CE1 3.7Å; L59-F61 HydrophobicContact CD1-CZ 3.52Å; L59-F61 HydrophobicContact CG-CE1 4.05Å; L59-F61 HydrophobicContact CG-CZ 4.16Å; L59-F61 PolarHBondContact O-N 3.09Å
60P94.6Very high96.4Very high128 Ų12862.2 Ų62.283%0.83137%0.369SS*.SBendtrans-83.553.4-167.136.3-38.9000112.8
61F93.8Very high96.5Very high24 Ų2461.6 Ų61.611%0.10535%0.353CS..  trans-142149.9173.351.5-103.5000111.4F22 R26 L59 I64 A91 D92F22-F61 HydrophobicContact CE1-CE2 4.16Å; F22-F61 AromaticContact CE1-CZ 3.74Å; F22-F61 HydrophobicContact CE1-CZ 3.74Å; F22-F61 HydrophobicContact CZ-CZ 4.21Å; R26-F61 PolarHBondContact NH2-O 2.97Å; L59-F61 HydrophobicContact CB-CD1 3.95Å; L59-F61 HydrophobicContact CB-CE1 3.32Å; L59-F61 HydrophobicContact CB-CE2 4.38Å; L59-F61 HydrophobicContact CB-CZ 3.55Å; L59-F61 HydrophobicContact CD1-CE1 3.7Å; L59-F61 HydrophobicContact CD1-CZ 3.52Å; L59-F61 HydrophobicContact CG-CE1 4.05Å; L59-F61 HydrophobicContact CG-CZ 4.16Å; L59-F61 PolarHBondContact O-N 3.09Å; F61-I64 HydrophobicContact CD1-CD1 4.47Å; F61-I64 HydrophobicContact CD2-CB 3.88Å; F61-I64 HydrophobicContact CD2-CD1 4.48Å; F61-I64 HydrophobicContact CD2-CG2 4.13Å; F61-I64 HydrophobicContact CE1-CD1 3.97Å; F61-I64 HydrophobicContact CE2-CB 3.77Å; F61-I64 HydrophobicContact CE2-CD1 4Å; F61-I64 HydrophobicContact CE2-CG2 3.61Å; F61-I64 HydrophobicContact CZ-CB 4.41Å; F61-I64 HydrophobicContact CZ-CD1 3.75Å; F61-I64 HydrophobicContact CZ-CG2 4.31Å; F61-A91 HydrophobicContact CB-CB 4.02Å; F61-A91 HydrophobicContact CD1-CB 4.29Å; F61-A91 HydrophobicContact CG-CB 4.24Å; F61-D92 VanDerWaalsContact CA-OD2 3.22Å; F61-D92 WeakPolarHBondContact CA-OD2 3.44Å; F61-D92 WeakPolarHBondContact CB-OD2 3.34Å
62L92Very high96.5Very high155 Ų15564.5 Ų64.581%0.81236%0.364SS*.SBendtrans-87.7-47.8177.3-62.8177.2000110.9D92L62-D92 PolarHBondContact N-OD1 3.11Å; L62-D92 PolarHBondContact N-OD2 3.12Å
63K94.4Very high96.6Very high162 Ų16265.4 Ų65.470%0.70437%0.368SS*.  trans-122.1144.4179.1-65-179.1-177.7176.60110A91 D92K63-A91 WeakPolarHBondContact O-CA 3.49Å; K63-D92 PolarHBondContact N-OD1 2.77Å; K63-D92 PolarHBondContact O-N 3.18Å
64I97.3Very high96.7Very high15 Ų1569.4 Ų69.48%0.07739%0.385CS..EExtended strand (participates in β ladder)trans-141.6147.2172.2-168.2162.4000108.7F22 F61 L89 K90 A91F22-I64 HydrophobicContact CD1-CG2 3.76Å; F22-I64 HydrophobicContact CE1-CD1 4.09Å; F22-I64 HydrophobicContact CE1-CG2 3.95Å; F61-I64 HydrophobicContact CD1-CD1 4.47Å; F61-I64 HydrophobicContact CD2-CB 3.88Å; F61-I64 HydrophobicContact CD2-CD1 4.48Å; F61-I64 HydrophobicContact CD2-CG2 4.13Å; F61-I64 HydrophobicContact CE1-CD1 3.97Å; F61-I64 HydrophobicContact CE2-CB 3.77Å; F61-I64 HydrophobicContact CE2-CD1 4Å; F61-I64 HydrophobicContact CE2-CG2 3.61Å; F61-I64 HydrophobicContact CZ-CB 4.41Å; F61-I64 HydrophobicContact CZ-CD1 3.75Å; F61-I64 HydrophobicContact CZ-CG2 4.31Å; I64-L89 HydrophobicContact CD1-CD1 4.38Å; I64-K90 CarbonylContact C-O 3.56Å; I64-K90 WeakPolarHBondContact CA-O 3.46Å; I64-A91 HydrophobicContact CD1-CB 4.43Å; I64-A91 HydrophobicContact CG1-CB 4.44Å
65A98.1Very high96.7Very high56 Ų5666.2 Ų66.246%0.46338%0.376SS..EExtended strand (participates in β ladder)trans-134.2126.2173.100000109.2D23 L89 K90D23-A65 WeakPolarHBondContact OD2-CA 3.39Å; A65-L89 CarbonylContact O-C 3.59Å; A65-L89 VanDerWaalsContact O-CA 3.24Å; A65-L89 WeakPolarHBondContact O-CA 3.35Å; A65-K90 PolarHBondContact N-O 2.67Å; A65-K90 PolarHBondContact O-N 2.96Å
66H98.5Very high96.8Very high26 Ų2666.2 Ų66.212%0.1238%0.379CS..EExtended strand (participates in β ladder)trans-101.5139.5174.3-6482.9000111Y19 F22 D23 F99Y19-H66 HydrophobicContact CD1-CB 3.61Å; Y19-H66 AromaticContact CD1-CD2 3.72Å; Y19-H66 AromaticContact CD1-CG 3.43Å; Y19-H66 VanDerWaalsContact CD1-CG 3.43Å; Y19-H66 AromaticContact CD1-ND1 3.78Å; Y19-H66 HydrophobicContact CE1-CB 4.23Å; Y19-H66 AromaticContact CE1-CD2 3.64Å; Y19-H66 AromaticContact CE1-CG 3.85Å; Y19-H66 HydrophobicContact CG-CB 4.13Å; F22-H66 AromaticContact CD1-CE1 3.5Å; F22-H66 VanDerWaalsContact CD1-CE1 3.5Å; F22-H66 WeakPolarHBondContact CD1-CE1 3.36Å; F22-H66 AromaticContact CE1-CE1 3.78Å; D23-H66 IonicContact OD1-CE1 3.52Å; D23-H66 IonicContact OD1-CG 2.73Å; D23-H66 IonicContact OD1-ND1 2.68Å; D23-H66 PolarHBondContact OD1-ND1 2.7Å; D23-H66 PolarHBondContact OD2-N 2.78Å; D23-H66 IonicContact OD2-ND1 3.93Å; H66-F99 AromaticContact CD2-CE1 3.68Å; H66-F99 AromaticContact CD2-CZ 3.9Å
67S98.2Very high96.9Very high71 Ų7172.6 Ų72.650%0.49742%0.42SS..EExtended strand (participates in β ladder)trans-123.4115.7171.8179.70000109T69 G87 Q88S67-T69 PolarHBondContact O-N 3.09Å; S67-G87 CarbonylContact O-C 3.57Å; S67-G87 VanDerWaalsContact O-CA 3.24Å; S67-G87 WeakPolarHBondContact O-CA 3.48Å; S67-Q88 PolarHBondContact N-O 3.46Å; S67-Q88 PolarHBondContact O-N 2.98Å
68I98.5Very high97.1Very high56 Ų5676.8 Ų76.829%0.28744%0.439SS..EExtended strand (participates in β ladder)trans-82.1118.1-177-49.8-49.9000109.3V15 Y19 Q71 V85 F99V15-I68 HydrophobicContact CG1-CG1 4.45Å; Y19-I68 HydrophobicContact CD1-CD1 4.46Å; Y19-I68 HydrophobicContact CD2-CD1 3.46Å; Y19-I68 VanDerWaalsContact CD2-CD1 3.46Å; Y19-I68 HydrophobicContact CD2-CG1 4.14Å; Y19-I68 HydrophobicContact CE1-CD1 4.44Å; Y19-I68 HydrophobicContact CE2-CD1 3.42Å; Y19-I68 VanDerWaalsContact CE2-CD1 3.42Å; Y19-I68 HydrophobicContact CE2-CG1 4.39Å; Y19-I68 HydrophobicContact CG-CD1 4.01Å; I68-Q71 HydrophobicContact CG2-CB 4.28Å; I68-V85 HydrophobicContact CD1-CG1 3.83Å; I68-V85 HydrophobicContact CG2-CG1 4Å; I68-F99 HydrophobicContact CD1-CZ 3.99Å
69T98.1Very high97.2Very high99 Ų9976.8 Ų76.861%0.60744%0.443SS*.EExtended strand (participates in β ladder)trans-85-45177.1-56.90000110.4S67 V86S67-T69 PolarHBondContact O-N 3.09Å; T69-V86 WeakPolarHBondContact CA-O 3.24Å; T69-V86 WeakPolarHBondContact CB-O 3.47Å; T69-V86 PolarHBondContact N-O 3.04Å
70A98.4Very high97.3Very high45 Ų4576.8 Ų76.837%0.37244%0.444SS..EExtended strand (participates in β ladder)trans-148.7149.7178.500000110.3V86A70-V86 PolarHBondContact N-O 3.13Å; A70-V86 PolarHBondContact O-N 3.32Å; A70-V86 VanDerWaalsContact O-O 3.11Å
71Q98.7Very high97.5Very high69 Ų6971 Ų7132%0.32241%0.406SS..EExtended strand (participates in β ladder)trans-143.7134.5171.261.6-172.4-53.300109V15 I68 H73 M84 V85V15-Q71 VanDerWaalsContact CG1-OE1 3.31Å; I68-Q71 HydrophobicContact CG2-CB 4.28Å; Q71-H73 PolarHBondContact OE1-CE1 3.46Å; Q71-H73 PolarHBondContact OE1-NE2 3.5Å; Q71-H73 VanDerWaalsContact OE1-NE2 3.15Å; Q71-M84 CarbonylContact C-O 3.58Å; Q71-M84 VanDerWaalsContact CA-O 3.26Å; Q71-M84 WeakPolarHBondContact CA-O 3.26Å; Q71-V85 HydrophobicContact CB-CG2 4.42Å
72D98.8Very high97.7Very high92 Ų9273.8 Ų73.849%0.49242%0.42SS..EExtended strand (participates in β ladder)trans-123.9137.8179.5-63.5-63.5000109S83 M84D72-S83 CarbonylContact O-C 3.56Å; D72-S83 VanDerWaalsContact O-CA 3.31Å; D72-S83 WeakPolarHBondContact O-CA 3.38Å; D72-M84 PolarHBondContact N-O 2.9Å; D72-M84 PolarHBondContact O-N 2.79Å
73H98.8Very high98.1Very high18 Ų1866.4 Ų66.48%0.08338%0.382CS..EExtended strand (participates in β ladder)trans-130.3132.3-176.2-50-71.7000110.6G11 S12 Q71 I81 M82 S83G11-H73 PolarHBondContact O-CE1 3.18Å; S12-H73 PolarHBondContact N-CE1 2.91Å; S12-H73 PolarHBondContact N-NE2 2.97Å; S12-H73 PolarHBondContact OG-CD2 3.03Å; S12-H73 PolarHBondContact OG-NE2 3.02Å; Q71-H73 PolarHBondContact OE1-CE1 3.46Å; Q71-H73 PolarHBondContact OE1-NE2 3.5Å; Q71-H73 VanDerWaalsContact OE1-NE2 3.15Å; H73-I81 HydrophobicContact CB-CG2 4.49Å; H73-M82 WeakPolarHBondContact CA-O 3.33Å; H73-S83 WeakPolarHBondContact ND1-CB 3.49Å; H73-S83 PolarHBondContact ND1-OG 3.33Å
74Q98.7Very high98.3Very high116 Ų11662.8 Ų62.854%0.54237%0.368SS..EExtended strand (participates in β ladder)trans-134141.2177.8-67.9-176.1-9.800111.1I81 M82Q74-I81 WeakPolarHBondContact O-CA 3.38Å; Q74-M82 PolarHBondContact N-O 2.92Å; Q74-M82 PolarHBondContact O-N 3.41Å
75P98.4Very high98.4Very high68 Ų6862.1 Ų62.144%0.44237%0.365SS..EExtended strand (participates in β ladder)trans-72.3143.9166.232.7-31.9000109.4W7 C80W7-P75 HydrophobicContact CB-CB 4.48Å; W7-P75 HydrophobicContact CD2-CB 4.31Å; W7-P75 HydrophobicContact CD2-CG 3.86Å; W7-P75 HydrophobicContact CE3-CB 4.24Å; W7-P75 HydrophobicContact CE3-CG 3.93Å; W7-P75 HydrophobicContact CG-CB 4.43Å; W7-P75 HydrophobicContact CG-CG 4.27Å; W7-P75 HydrophobicContact CZ2-CG 4.48Å; W7-P75 HydrophobicContact CZ3-CG 4.28Å; P75-C80 WeakPolarHBondContact CA-O 3.39Å
76T98.3Very high98.4Very high38 Ų3861.6 Ų61.623%0.23336%0.356CS..  trans-99.3161.2171.778.50000110.6D78 S79 C80 M82T76-D78 PolarHBondContact O-N 3.47Å; T76-D78 VanDerWaalsContact O-N 3.16Å; T76-D78 PolarHBondContact OG1-N 2.86Å; T76-S79 PolarHBondContact O-N 2.9Å; T76-S79 VanDerWaalsContact O-N 3.17Å; T76-C80 HydrophobicContact CG2-CB 4.06Å; T76-C80 PolarHBondContact N-O 3.27Å; T76-C80 VanDerWaalsContact OG1-CB 3.26Å; T76-C80 WeakPolarHBondContact OG1-CB 3.42Å; T76-C80 PolarHBondContact OG1-N 2.9Å; T76-C80 VanDerWaalsContact OG1-N 3.14Å; T76-M82 HydrophobicContact CG2-CB 4.14Å
77P97.8Very high98.4Very high133 Ų13360.5 Ų60.586%0.86435%0.352SS*.THydrogen-bonded Turntrans-55.2-31175.4-27.636.6000114.2S79P77-S79 VanDerWaalsContact C-N 3.25Å; P77-S79 PolarHBondContact O-N 2.74Å
78D96.9Very high98.4Very high133 Ų13361.8 Ų61.871%0.71135%0.35SS*.THydrogen-bonded Turntrans-8922.9-178-61.9-42.7000113.6T76 C80T76-D78 PolarHBondContact O-N 3.47Å; T76-D78 VanDerWaalsContact O-N 3.16Å; T76-D78 PolarHBondContact OG1-N 2.86Å; D78-C80 PolarHBondContact O-N 2.8Å
79S96.8Very high98.3Very high95 Ų9559.5 Ų59.566%0.66434%0.338SS*.SBendtrans59.128.7-179.1-52.90000114.2T76 P77T76-S79 PolarHBondContact O-N 2.9Å; T76-S79 VanDerWaalsContact O-N 3.17Å; P77-S79 VanDerWaalsContact C-N 3.25Å; P77-S79 PolarHBondContact O-N 2.74Å
80C98.5Very high98.3Very high14 Ų1458.4 Ų58.410%0.09533%0.325CS..EExtended strand (participates in β ladder)trans-93.1169167-57.60000110.2P75 T76 D78 I104 L105P75-C80 WeakPolarHBondContact CA-O 3.39Å; T76-C80 HydrophobicContact CG2-CB 4.06Å; T76-C80 PolarHBondContact N-O 3.27Å; T76-C80 VanDerWaalsContact OG1-CB 3.26Å; T76-C80 WeakPolarHBondContact OG1-CB 3.42Å; T76-C80 PolarHBondContact OG1-N 2.9Å; T76-C80 VanDerWaalsContact OG1-N 3.14Å; D78-C80 PolarHBondContact O-N 2.8Å; C80-I104 HydrophobicContact CB-CG2 3.88Å; C80-L105 CarbonylContact C-O 3.55Å; C80-L105 WeakPolarHBondContact CA-O 3.41Å; C80-L105 WeakPolarHBondContact CB-O 3.27Å
81I98.8Very high98.2Very high5 Ų556.5 Ų56.53%0.02631%0.309CS..EExtended strand (participates in β ladder)trans-116.9121.6168.8-61.5167000108W7 I10 H73 Q74 I104 L105 W112W7-I81 HydrophobicContact CB-CD1 4.09Å; W7-I81 HydrophobicContact CB-CG1 3.99Å; W7-I81 HydrophobicContact CB-CG2 4.4Å; I10-I81 HydrophobicContact CB-CD1 3.66Å; I10-I81 HydrophobicContact CD1-CD1 3.95Å; I10-I81 HydrophobicContact CG1-CD1 4.43Å; I10-I81 HydrophobicContact CG2-CD1 3.54Å; H73-I81 HydrophobicContact CB-CG2 4.49Å; Q74-I81 WeakPolarHBondContact O-CA 3.38Å; I81-I104 WeakPolarHBondContact O-CA 3.28Å; I81-L105 HydrophobicContact CB-CB 4.26Å; I81-L105 PolarHBondContact N-O 2.86Å; I81-L105 PolarHBondContact O-N 2.8Å; I81-W112 HydrophobicContact CD1-CE3 4.23Å; I81-W112 HydrophobicContact CD1-CH2 3.65Å; I81-W112 HydrophobicContact CD1-CZ2 4.02Å; I81-W112 HydrophobicContact CD1-CZ3 3.77Å; I81-W112 HydrophobicContact CG1-CH2 3.94Å; I81-W112 HydrophobicContact CG1-CZ3 3.91Å
82M98.8Very high98.1Very high84 Ų8455.8 Ų55.841%0.41431%0.308SS..EExtended strand (participates in β ladder)trans-91.6126.9169.5-175.4173.976.800108.5H73 Q74 T76 F103H73-M82 WeakPolarHBondContact CA-O 3.33Å; Q74-M82 PolarHBondContact N-O 2.92Å; Q74-M82 PolarHBondContact O-N 3.41Å; T76-M82 HydrophobicContact CG2-CB 4.14Å; M82-F103 CarbonylContact C-O 3.58Å; M82-F103 WeakPolarHBondContact CA-O 3.37Å
83S98.8Very high97.9Very high0 Ų059.7 Ų59.70%032%0.323CS..EExtended strand (participates in β ladder)trans-118.5130.1174.9-57.60000109.6D72 H73 S102 F103D72-S83 CarbonylContact O-C 3.56Å; D72-S83 VanDerWaalsContact O-CA 3.31Å; D72-S83 WeakPolarHBondContact O-CA 3.38Å; H73-S83 WeakPolarHBondContact ND1-CB 3.49Å; H73-S83 PolarHBondContact ND1-OG 3.33Å; S83-S102 CarbonylContact O-C 3.51Å; S83-S102 VanDerWaalsContact O-CA 3.27Å; S83-S102 WeakPolarHBondContact O-CA 3.39Å; S83-F103 PolarHBondContact N-O 2.85Å; S83-F103 PolarHBondContact O-N 2.9Å
84M98.8Very high97.7Very high86 Ų8663 Ų6342%0.42434%0.341SS..EExtended strand (participates in β ladder)trans-114.2133.7171.4-174.8179.469.900108.4Q71 D72Q71-M84 CarbonylContact C-O 3.58Å; Q71-M84 VanDerWaalsContact CA-O 3.26Å; Q71-M84 WeakPolarHBondContact CA-O 3.26Å; D72-M84 PolarHBondContact N-O 2.9Å; D72-M84 PolarHBondContact O-N 2.79Å
85V98.9Very high97.5Very high0 Ų062.3 Ų62.30%035%0.347CS..EExtended strand (participates in β ladder)trans-125.6132.2-176-177.60000108.7V15 Y19 I68 Q71 F99 H100 Q101 F103V15-V85 HydrophobicContact CG1-CG2 4.23Å; V15-V85 HydrophobicContact CG2-CG2 3.7Å; Y19-V85 HydrophobicContact CE2-CG1 3.94Å; Y19-V85 HydrophobicContact CE2-CG2 4.42Å; I68-V85 HydrophobicContact CD1-CG1 3.83Å; I68-V85 HydrophobicContact CG2-CG1 4Å; Q71-V85 HydrophobicContact CB-CG2 4.42Å; V85-F99 HydrophobicContact CG1-CE2 4.01Å; V85-F99 HydrophobicContact CG1-CZ 4.13Å; V85-H100 WeakPolarHBondContact O-CA 3.47Å; V85-Q101 HydrophobicContact CB-CB 4.46Å; V85-Q101 PolarHBondContact N-O 3.29Å; V85-Q101 PolarHBondContact O-N 2.82Å; V85-F103 HydrophobicContact CG2-CD2 4.32Å; V85-F103 HydrophobicContact CG2-CE2 4.04Å
86V98.6Very high97.4Very high46 Ų4664.1 Ų64.128%0.27935%0.352SS..EExtended strand (participates in β ladder)trans-123.2131.3168.7-178.20000107.7T69 A70T69-V86 WeakPolarHBondContact CA-O 3.24Å; T69-V86 WeakPolarHBondContact CB-O 3.47Å; T69-V86 PolarHBondContact N-O 3.04Å; A70-V86 PolarHBondContact N-O 3.13Å; A70-V86 PolarHBondContact O-N 3.32Å; A70-V86 VanDerWaalsContact O-O 3.11Å
87G98.3Very high97.3Very high3 Ų364.6 Ų64.63%0.03135%0.352CS..EExtended strand (participates in β ladder)trans-159.9-170.1-176.400000113.2S67 G98 F99S67-G87 CarbonylContact O-C 3.57Å; S67-G87 VanDerWaalsContact O-CA 3.24Å; S67-G87 WeakPolarHBondContact O-CA 3.48Å; G87-G98 CarbonylContact O-C 3.6Å; G87-G98 WeakPolarHBondContact O-CA 3.19Å; G87-F99 VanDerWaalsContact C-CD1 3.45Å; G87-F99 VanDerWaalsContact C-CE1 3.43Å; G87-F99 PolarHBondContact N-O 3.05Å; G87-F99 VanDerWaalsContact N-O 3.09Å; G87-F99 PolarHBondContact O-N 2.89Å
88Q98.1Very high97.3Very high97 Ų9759.4 Ų59.445%0.45332%0.323SS..EExtended strand (participates in β ladder)trans-123.1149.6172-65.5-178.2-46.300109.3S67 I96 M97S67-Q88 PolarHBondContact N-O 3.46Å; S67-Q88 PolarHBondContact O-N 2.98Å; Q88-I96 HydrophobicContact CB-CG2 3.78Å; Q88-I96 HydrophobicContact CG-CG2 4.2Å; Q88-M97 CarbonylContact C-O 3.57Å; Q88-M97 VanDerWaalsContact CA-O 3.22Å; Q88-M97 WeakPolarHBondContact CA-O 3.29Å
89L97.6Very high97.3Very high8 Ų853.1 Ų53.14%0.04229%0.289CS..EExtended strand (participates in β ladder)trans-133.6153.5172.662.782.5000110.9I64 A65 I96 M97 F99 F119 L121I64-L89 HydrophobicContact CD1-CD1 4.38Å; A65-L89 CarbonylContact O-C 3.59Å; A65-L89 VanDerWaalsContact O-CA 3.24Å; A65-L89 WeakPolarHBondContact O-CA 3.35Å; L89-I96 WeakPolarHBondContact O-CA 3.27Å; L89-M97 HydrophobicContact CD1-CB 4.34Å; L89-M97 HydrophobicContact CD1-CE 3.96Å; L89-M97 PolarHBondContact N-O 2.89Å; L89-M97 PolarHBondContact O-N 2.94Å; L89-F99 HydrophobicContact CB-CD1 4.13Å; L89-F99 HydrophobicContact CB-CE1 4.46Å; L89-F99 HydrophobicContact CD2-CB 3.95Å; L89-F99 HydrophobicContact CD2-CD1 3.79Å; L89-F99 HydrophobicContact CD2-CG 3.98Å; L89-F99 HydrophobicContact CG-CD1 4.1Å; L89-F119 HydrophobicContact CD2-CE2 4.02Å; L89-F119 HydrophobicContact CD2-CZ 3.78Å; L89-L121 HydrophobicContact CD1-CD2 4.2Å; L89-L121 HydrophobicContact CD2-CD2 3.86Å; L89-L121 HydrophobicContact CG-CD2 4.29Å
90K97.6Very high97.4Very high76 Ų7653 Ų5333%0.3328%0.278SS..EExtended strand (participates in β ladder)trans-127.2117.1169.7-177.7173.6172.263.70108.3I64 A65 D92 D94 I96I64-K90 CarbonylContact C-O 3.56Å; I64-K90 WeakPolarHBondContact CA-O 3.46Å; A65-K90 PolarHBondContact N-O 2.67Å; A65-K90 PolarHBondContact O-N 2.96Å; K90-D92 VanDerWaalsContact CE-O 3.24Å; K90-D92 WeakPolarHBondContact CE-O 3.4Å; K90-D92 PolarHBondContact NZ-O 2.78Å; K90-D94 PolarHBondContact NZ-O 3.15Å; K90-I96 HydrophobicContact CB-CG1 4.37Å; K90-I96 HydrophobicContact CD-CG1 4.47Å
91A96.8Very high97.4Very high6 Ų652.4 Ų52.45%0.0527%0.273CS..EExtended strand (participates in β ladder)trans-98.9124.1171.700000108.6F61 K63 I64 E93 D94F61-A91 HydrophobicContact CB-CB 4.02Å; F61-A91 HydrophobicContact CD1-CB 4.29Å; F61-A91 HydrophobicContact CG-CB 4.24Å; K63-A91 WeakPolarHBondContact O-CA 3.49Å; I64-A91 HydrophobicContact CD1-CB 4.43Å; I64-A91 HydrophobicContact CG1-CB 4.44Å; A91-E93 PolarHBondContact O-N 3.39Å; A91-D94 VanDerWaalsContact O-CB 3.24Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 2.97Å
92D96.4Very high97.4Very high54 Ų5453.9 Ų53.929%0.28928%0.284SS..THydrogen-bonded Turntrans43.9-123.8-178.9-62-40.3000112.9F61 L62 K63 K90F61-D92 VanDerWaalsContact CA-OD2 3.22Å; F61-D92 WeakPolarHBondContact CA-OD2 3.44Å; F61-D92 WeakPolarHBondContact CB-OD2 3.34Å; L62-D92 PolarHBondContact N-OD1 3.11Å; L62-D92 PolarHBondContact N-OD2 3.12Å; K63-D92 PolarHBondContact N-OD1 2.77Å; K63-D92 PolarHBondContact O-N 3.18Å; K90-D92 VanDerWaalsContact CE-O 3.24Å; K90-D92 WeakPolarHBondContact CE-O 3.4Å; K90-D92 PolarHBondContact NZ-O 2.78Å
93E94.6Very high97.4Very high174 Ų17449.9 Ų49.981%0.81327%0.265SS*.THydrogen-bonded Turntrans-94.63.7178.1-61.9-54.9146.100113.4A91A91-E93 PolarHBondContact O-N 3.39Å
94D93.4Very high97.4Very high86 Ų8652.4 Ų52.446%0.4628%0.277SS..SBendtrans-64.8158-179.4-67.3-23.3000111.6K90 A91K90-D94 PolarHBondContact NZ-O 3.15Å; A91-D94 VanDerWaalsContact O-CB 3.24Å; A91-D94 WeakPolarHBondContact O-CB 3.29Å; A91-D94 PolarHBondContact O-N 2.97Å
95P94.9Very high97.4Very high102 Ų10248.3 Ų48.366%0.66226%0.257SS*.PPolyproline II helixtrans-55.7150.9172-24.534.8000112.2M97P95-M97 PolarHBondContact O-N 2.63Å
96I96.3Very high97.4Very high106 Ų10652.8 Ų52.854%0.54428%0.277SS..PPolyproline II helixtrans-63.7127.4171.2-62.6173.8000108.4Q88 L89 K90Q88-I96 HydrophobicContact CB-CG2 3.78Å; Q88-I96 HydrophobicContact CG-CG2 4.2Å; L89-I96 WeakPolarHBondContact O-CA 3.27Å; K90-I96 HydrophobicContact CB-CG1 4.37Å; K90-I96 HydrophobicContact CD-CG1 4.47Å
97M96.4Very high97.4Very high49 Ų4953.5 Ų53.524%0.24128%0.279CS..EExtended strand (participates in β ladder)trans-115.9141.6178.5-67.8-178.1-76.200110.2Q88 L89 P95 L121 L123Q88-M97 CarbonylContact C-O 3.57Å; Q88-M97 VanDerWaalsContact CA-O 3.22Å; Q88-M97 WeakPolarHBondContact CA-O 3.29Å; L89-M97 HydrophobicContact CD1-CB 4.34Å; L89-M97 HydrophobicContact CD1-CE 3.96Å; L89-M97 PolarHBondContact N-O 2.89Å; L89-M97 PolarHBondContact O-N 2.94Å; P95-M97 PolarHBondContact O-N 2.63Å; M97-L121 HydrophobicContact CB-CD2 4.17Å; M97-L121 HydrophobicContact CE-CD1 4.28Å; M97-L121 HydrophobicContact CE-CD2 4.38Å; M97-L121 HydrophobicContact SD-CD1 4Å; M97-L121 HydrophobicContact SD-CD2 4.37Å; M97-L123 HydrophobicContact SD-CD2 4.47Å
98G97.6Very high97.3Very high24 Ų2456.3 Ų56.325%0.24729%0.293CS..EExtended strand (participates in β ladder)trans-71.4153.6165.900000110.5G87 A122G87-G98 CarbonylContact O-C 3.6Å; G87-G98 WeakPolarHBondContact O-CA 3.19Å; G98-A122 WeakPolarHBondContact O-CB 3.4Å; G98-A122 PolarHBondContact O-N 3Å
99F98.4Very high97.1Very high1 Ų159 Ų590%0.00431%0.31CS..EExtended strand (participates in β ladder)trans-145.2159.9171.878.3-88.7000111.2Y19 H66 I68 V85 G87 L89 Q101 F119 R120 L121Y19-F99 HydrophobicContact CE1-CE2 4.11Å; Y19-F99 AromaticContact CE1-CZ 3.94Å; Y19-F99 HydrophobicContact CE1-CZ 3.94Å; Y19-F99 AromaticContact CZ-CE2 3.85Å; Y19-F99 AromaticContact CZ-CZ 3.86Å; Y19-F99 VanDerWaalsContact OH-CE2 3.23Å; Y19-F99 WeakPolarHBondContact OH-CE2 3.24Å; H66-F99 AromaticContact CD2-CE1 3.68Å; H66-F99 AromaticContact CD2-CZ 3.9Å; I68-F99 HydrophobicContact CD1-CZ 3.99Å; V85-F99 HydrophobicContact CG1-CE2 4.01Å; V85-F99 HydrophobicContact CG1-CZ 4.13Å; G87-F99 VanDerWaalsContact C-CD1 3.45Å; G87-F99 VanDerWaalsContact C-CE1 3.43Å; G87-F99 PolarHBondContact N-O 3.05Å; G87-F99 VanDerWaalsContact N-O 3.09Å; G87-F99 PolarHBondContact O-N 2.89Å; L89-F99 HydrophobicContact CB-CD1 4.13Å; L89-F99 HydrophobicContact CB-CE1 4.46Å; L89-F99 HydrophobicContact CD2-CB 3.95Å; L89-F99 HydrophobicContact CD2-CD1 3.79Å; L89-F99 HydrophobicContact CD2-CG 3.98Å; L89-F99 HydrophobicContact CG-CD1 4.1Å; F99-Q101 HydrophobicContact CD2-CB 4.2Å; F99-Q101 HydrophobicContact CE2-CB 4.09Å; F99-F119 HydrophobicContact CB-CE2 3.84Å; F99-F119 HydrophobicContact CB-CZ 4.08Å; F99-F119 HydrophobicContact CD2-CD2 4.24Å; F99-F119 AromaticContact CD2-CE2 3.8Å; F99-F119 HydrophobicContact CD2-CE2 3.8Å; F99-F119 AromaticContact CG-CE2 3.96Å; F99-F119 HydrophobicContact CG-CE2 3.96Å; F99-R120 CarbonylContact C-O 3.6Å; F99-R120 WeakPolarHBondContact CA-O 3.27Å; F99-L121 HydrophobicContact CB-CD2 4.3Å
100H98.3Very high97Very high92 Ų9266 Ų6643%0.42635%0.347SS..EExtended strand (participates in β ladder)trans-125.3135.8171.1-57.3-101.1000108.3V85 R120V85-H100 WeakPolarHBondContact O-CA 3.47Å; H100-R120 PolarHBondContact N-O 2.84Å; H100-R120 PolarHBondContact O-N 2.86Å
101Q98.8Very high96.8Very high1 Ų164.7 Ų64.71%0.00535%0.351CS..EExtended strand (participates in β ladder)trans-140.4138.1174.2-160.8167.66.100111.3Y18 Y19 V85 F99 F103 D117 M118 F119Y18-Q101 PolarHBondContact OH-NE2 3.45Å; Y19-Q101 WeakPolarHBondContact OH-CB 3.24Å; Y19-Q101 PolarHBondContact OH-OE1 2.86Å; V85-Q101 HydrophobicContact CB-CB 4.46Å; V85-Q101 PolarHBondContact N-O 3.29Å; V85-Q101 PolarHBondContact O-N 2.82Å; F99-Q101 HydrophobicContact CD2-CB 4.2Å; F99-Q101 HydrophobicContact CE2-CB 4.09Å; Q101-F103 HydrophobicContact CB-CE2 4.28Å; Q101-F103 HydrophobicContact CB-CZ 4.38Å; Q101-F103 HydrophobicContact CG-CE1 4.04Å; Q101-F103 HydrophobicContact CG-CE2 3.87Å; Q101-F103 HydrophobicContact CG-CZ 3.56Å; Q101-F103 VanDerWaalsContact NE2-CZ 3.32Å; Q101-D117 PolarHBondContact NE2-OD1 3.27Å; Q101-D117 PolarHBondContact NE2-OD2 3.14Å; Q101-M118 CarbonylContact C-O 3.55Å; Q101-M118 WeakPolarHBondContact CA-O 3.37Å; Q101-M118 WeakPolarHBondContact CG-O 3.29Å; Q101-F119 HydrophobicContact CB-CD2 4.29Å; Q101-F119 HydrophobicContact CG-CB 4.15Å; Q101-F119 HydrophobicContact CG-CD2 4.21Å
102S98.8Very high96.9Very high37 Ų3768.5 Ų68.526%0.25936%0.364SS..EExtended strand (participates in β ladder)trans-125135.5177-63.90000110.8S83 D117 M118S83-S102 CarbonylContact O-C 3.51Å; S83-S102 VanDerWaalsContact O-CA 3.27Å; S83-S102 WeakPolarHBondContact O-CA 3.39Å; S102-D117 CarbonylContact O-C 3.51Å; S102-D117 WeakPolarHBondContact O-CA 3.44Å; S102-M118 PolarHBondContact N-O 2.86Å; S102-M118 PolarHBondContact O-N 3.37Å
103F98.9Very high97Very high0 Ų066.7 Ų66.70%036%0.355CS..EExtended strand (participates in β ladder)trans-121.8143.4179.2-54.4-80.9000110.9F14 Y18 M82 S83 V85 Q101 L105 N116 D117F14-F103 HydrophobicContact CE1-CB 4.11Å; F14-F103 AromaticContact CE1-CD1 3.77Å; F14-F103 HydrophobicContact CE1-CD1 3.77Å; F14-F103 HydrophobicContact CE1-CD2 4.09Å; F14-F103 HydrophobicContact CE1-CE1 4.13Å; F14-F103 HydrophobicContact CE1-CE2 4.43Å; F14-F103 AromaticContact CE1-CG 3.73Å; F14-F103 HydrophobicContact CE1-CG 3.73Å; F14-F103 HydrophobicContact CE1-CZ 4.42Å; F14-F103 HydrophobicContact CZ-CD1 4.23Å; Y18-F103 HydrophobicContact CD1-CE1 4.4Å; Y18-F103 AromaticContact CD1-CZ 3.78Å; Y18-F103 HydrophobicContact CD1-CZ 3.78Å; Y18-F103 AromaticContact CD2-CE1 3.83Å; Y18-F103 HydrophobicContact CD2-CE1 3.83Å; Y18-F103 HydrophobicContact CD2-CZ 4.01Å; Y18-F103 HydrophobicContact CE1-CE1 4.27Å; Y18-F103 AromaticContact CE1-CZ 3.79Å; Y18-F103 HydrophobicContact CE1-CZ 3.79Å; Y18-F103 AromaticContact CE2-CE1 3.69Å; Y18-F103 HydrophobicContact CE2-CE1 3.69Å; Y18-F103 HydrophobicContact CE2-CZ 4.03Å; Y18-F103 HydrophobicContact CG-CE1 4.22Å; Y18-F103 AromaticContact CG-CZ 3.92Å; Y18-F103 HydrophobicContact CG-CZ 3.92Å; Y18-F103 AromaticContact CZ-CE1 3.93Å; Y18-F103 AromaticContact CZ-CZ 3.94Å; M82-F103 CarbonylContact C-O 3.58Å; M82-F103 WeakPolarHBondContact CA-O 3.37Å; S83-F103 PolarHBondContact N-O 2.85Å; S83-F103 PolarHBondContact O-N 2.9Å; V85-F103 HydrophobicContact CG2-CD2 4.32Å; V85-F103 HydrophobicContact CG2-CE2 4.04Å; Q101-F103 HydrophobicContact CB-CE2 4.28Å; Q101-F103 HydrophobicContact CB-CZ 4.38Å; Q101-F103 HydrophobicContact CG-CE1 4.04Å; Q101-F103 HydrophobicContact CG-CE2 3.87Å; Q101-F103 HydrophobicContact CG-CZ 3.56Å; Q101-F103 VanDerWaalsContact NE2-CZ 3.32Å; F103-L105 HydrophobicContact CB-CD2 4.23Å; F103-N116 CarbonylContact C-O 3.52Å; F103-N116 VanDerWaalsContact CA-O 3.26Å; F103-N116 WeakPolarHBondContact CA-O 3.19Å; F103-D117 HydrophobicContact CD1-CB 4.23Å; F103-D117 HydrophobicContact CE1-CB 4.45Å
104I98.8Very high97.2Very high52 Ų5258.4 Ų58.427%0.26732%0.316SS..EExtended strand (participates in β ladder)trans-114.2121162.6-58.1-179.9000107.8C80 I81 T115 N116C80-I104 HydrophobicContact CB-CG2 3.88Å; I81-I104 WeakPolarHBondContact O-CA 3.28Å; I104-T115 PolarHBondContact O-N 2.88Å; I104-T115 PolarHBondContact O-OG1 3.21Å; I104-N116 HydrophobicContact CB-CB 3.95Å; I104-N116 HydrophobicContact CD1-CB 4.01Å; I104-N116 HydrophobicContact CG1-CB 4.02Å; I104-N116 PolarHBondContact N-O 2.87Å
105L98.8Very high97.4Very high0 Ų055.2 Ų55.20%030%0.3CS..EExtended strand (participates in β ladder)trans-104.2135.8178.7-47-179.5000109.8F14 C80 I81 F103 W112 V113 C114F14-L105 HydrophobicContact CB-CD1 3.61Å; F14-L105 HydrophobicContact CD1-CD1 3.94Å; F14-L105 HydrophobicContact CD1-CD2 3.69Å; F14-L105 HydrophobicContact CD1-CG 4.38Å; F14-L105 HydrophobicContact CD2-CD1 4.04Å; F14-L105 HydrophobicContact CD2-CD2 3.62Å; F14-L105 HydrophobicContact CD2-CG 4.49Å; F14-L105 HydrophobicContact CE1-CD2 3.63Å; F14-L105 HydrophobicContact CE2-CD2 3.54Å; F14-L105 HydrophobicContact CG-CD1 3.57Å; F14-L105 HydrophobicContact CG-CD2 3.7Å; F14-L105 HydrophobicContact CG-CG 4.28Å; F14-L105 HydrophobicContact CZ-CD2 3.55Å; C80-L105 CarbonylContact C-O 3.55Å; C80-L105 WeakPolarHBondContact CA-O 3.41Å; C80-L105 WeakPolarHBondContact CB-O 3.27Å; I81-L105 HydrophobicContact CB-CB 4.26Å; I81-L105 PolarHBondContact N-O 2.86Å; I81-L105 PolarHBondContact O-N 2.8Å; F103-L105 HydrophobicContact CB-CD2 4.23Å; L105-W112 HydrophobicContact CB-CE3 3.92Å; L105-W112 HydrophobicContact CB-CZ3 4.42Å; L105-V113 CarbonylContact C-O 3.59Å; L105-V113 VanDerWaalsContact CA-O 3.29Å; L105-V113 WeakPolarHBondContact CA-O 3.49Å; L105-C114 HydrophobicContact CD2-CB 4.18Å
106K98.6Very high97.6Very high95 Ų9553.3 Ų53.341%0.41328%0.284SS..EExtended strand (participates in β ladder)trans-126.8138.1175.1-170.7169-175.9170.70109.7I108 V113 T115K106-I108 HydrophobicContact CB-CG1 4.44Å; K106-I108 HydrophobicContact CD-CD1 4.43Å; K106-I108 HydrophobicContact CD-CG1 4.36Å; K106-I108 HydrophobicContact CG-CG1 4.06Å; K106-V113 PolarHBondContact N-O 2.93Å; K106-V113 WeakPolarHBondContact O-CG2 3.4Å; K106-V113 PolarHBondContact O-N 2.81Å; K106-T115 HydrophobicContact CB-CG2 3.72Å; K106-T115 HydrophobicContact CD-CG2 4.45Å
107N97.9Very high97.7Very high61 Ų6148.3 Ų48.333%0.32626%0.259SS..EExtended strand (participates in β ladder)trans-80.2121.4169.7-167.2-69.8000109.3D110 A111 W112N107-D110 WeakPolarHBondContact OD1-CA 3.15Å; N107-D110 PolarHBondContact OD1-N 2.87Å; N107-A111 CarbonylContact C-O 2.95Å; N107-A111 WeakPolarHBondContact CA-O 3.17Å; N107-W112 HydrophobicContact CB-CD2 4Å; N107-W112 HydrophobicContact CB-CE3 4.07Å; N107-W112 HydrophobicContact CB-CH2 4.03Å; N107-W112 HydrophobicContact CB-CZ2 3.95Å; N107-W112 HydrophobicContact CB-CZ3 4.09Å; N107-W112 PolarHBondContact ND2-NE1 2.83Å
108I96.5Very high97.9Very high61 Ų6150.7 Ų50.731%0.31327%0.27SS..EExtended strand (participates in β ladder)trans-133.3120.4177.2-56.4-178.5000107.2I34 K106 D110 A111 V113I34-I108 HydrophobicContact CD1-CD1 3.76Å; K106-I108 HydrophobicContact CB-CG1 4.44Å; K106-I108 HydrophobicContact CD-CD1 4.43Å; K106-I108 HydrophobicContact CD-CG1 4.36Å; K106-I108 HydrophobicContact CG-CG1 4.06Å; I108-D110 VanDerWaalsContact C-N 3.32Å; I108-D110 PolarHBondContact O-N 3.06Å; I108-A111 PolarHBondContact N-O 2.85Å; I108-A111 PolarHBondContact O-N 2.88Å; I108-A111 VanDerWaalsContact O-N 3.12Å; I108-V113 HydrophobicContact CB-CG2 4.42Å; I108-V113 HydrophobicContact CD1-CG2 3.76Å; I108-V113 HydrophobicContact CG1-CG2 4.06Å
109N94.6Very high97.9Very high154 Ų15449.8 Ų49.882%0.82426%0.26SS*.THydrogen-bonded Turntrans51.649.2-177.6-54.4-35.7000112.4A111N109-A111 PolarHBondContact O-N 2.81Å; N109-A111 VanDerWaalsContact O-N 3.12Å
110D93.7Very high97.9Very high154 Ų15455.7 Ų55.782%0.82428%0.282SS*.THydrogen-bonded Turntrans63.89.3-179.4-57.6-43000115.7N107 I108N107-D110 WeakPolarHBondContact OD1-CA 3.15Å; N107-D110 PolarHBondContact OD1-N 2.87Å; I108-D110 VanDerWaalsContact C-N 3.32Å; I108-D110 PolarHBondContact O-N 3.06Å
111A95.2Very high97.8Very high49 Ų4953.2 Ų53.241%0.40527%0.271SS..EExtended strand (participates in β ladder)trans-114.3133.7175.700000111.6N107 I108 N109N107-A111 CarbonylContact C-O 2.95Å; N107-A111 WeakPolarHBondContact CA-O 3.17Å; I108-A111 PolarHBondContact N-O 2.85Å; I108-A111 PolarHBondContact O-N 2.88Å; I108-A111 VanDerWaalsContact O-N 3.12Å; N109-A111 PolarHBondContact O-N 2.81Å; N109-A111 VanDerWaalsContact O-N 3.12Å
112W97.9Very high97.5Very high86 Ų8655 Ų5533%0.32629%0.286SS..EExtended strand (participates in β ladder)trans-81.6119.3172.6-71.897.8000110.3I10 I81 L105 N107I10-W112 HydrophobicContact CD1-CZ2 3.74Å; I10-W112 HydrophobicContact CG2-CD2 3.85Å; I10-W112 HydrophobicContact CG2-CE3 4.45Å; I10-W112 HydrophobicContact CG2-CG 3.85Å; I81-W112 HydrophobicContact CD1-CE3 4.23Å; I81-W112 HydrophobicContact CD1-CH2 3.65Å; I81-W112 HydrophobicContact CD1-CZ2 4.02Å; I81-W112 HydrophobicContact CD1-CZ3 3.77Å; I81-W112 HydrophobicContact CG1-CH2 3.94Å; I81-W112 HydrophobicContact CG1-CZ3 3.91Å; L105-W112 HydrophobicContact CB-CE3 3.92Å; L105-W112 HydrophobicContact CB-CZ3 4.42Å; N107-W112 HydrophobicContact CB-CD2 4Å; N107-W112 HydrophobicContact CB-CE3 4.07Å; N107-W112 HydrophobicContact CB-CH2 4.03Å; N107-W112 HydrophobicContact CB-CZ2 3.95Å; N107-W112 HydrophobicContact CB-CZ3 4.09Å; N107-W112 PolarHBondContact ND2-NE1 2.83Å
113V98.4Very high96.8Very high16 Ų1658.1 Ų58.110%0.09730%0.3CS..EExtended strand (participates in β ladder)trans-123.2153.1179.5-62.50000111I34 L105 K106 I108I34-V113 HydrophobicContact CD1-CG2 4.23Å; I34-V113 HydrophobicContact CG2-CB 4.01Å; I34-V113 HydrophobicContact CG2-CG1 4Å; I34-V113 HydrophobicContact CG2-CG2 3.94Å; L105-V113 CarbonylContact C-O 3.59Å; L105-V113 VanDerWaalsContact CA-O 3.29Å; L105-V113 WeakPolarHBondContact CA-O 3.49Å; K106-V113 PolarHBondContact N-O 2.93Å; K106-V113 WeakPolarHBondContact O-CG2 3.4Å; K106-V113 PolarHBondContact O-N 2.81Å; I108-V113 HydrophobicContact CB-CG2 4.42Å; I108-V113 HydrophobicContact CD1-CG2 3.76Å; I108-V113 HydrophobicContact CG1-CG2 4.06Å
114C98.7Very high95.4Very high0 Ų065.2 Ų65.20%033%0.332CS..EExtended strand (participates in β ladder)trans-86.9112.4178.1-175.80000110.8F14 I32 Y33 S37 L105 N116F14-C114 HydrophobicContact CE2-CB 4.03Å; F14-C114 HydrophobicContact CZ-CB 3.74Å; I32-C114 PolarHBondContact O-N 2.9Å; Y33-C114 HydrophobicContact CD1-CB 3.96Å; Y33-C114 HydrophobicContact CE1-CB 3.99Å; S37-C114 WeakPolarHBondContact CB-O 3.33Å; S37-C114 PolarHBondContact OG-O 2.99Å; L105-C114 HydrophobicContact CD2-CB 4.18Å; C114-N116 PolarHBondContact SG-O 2.91Å; C114-N116 VanDerWaalsContact SG-O 3.35Å
115T98.7Very high93.3Very high20 Ų2070.2 Ų70.212%0.12336%0.36CS..EExtended strand (participates in β ladder)trans-89.8-30.7177.761.60000112.3I34 S37 C38 I104 K106I34-T115 HydrophobicContact CD1-CG2 4.32Å; S37-T115 CarbonylContact C-O 3.46Å; S37-T115 VanDerWaalsContact CA-O 3.29Å; S37-T115 WeakPolarHBondContact CA-O 3.43Å; C38-T115 PolarHBondContact N-O 3.44Å; I104-T115 PolarHBondContact O-N 2.88Å; I104-T115 PolarHBondContact O-OG1 3.21Å; K106-T115 HydrophobicContact CB-CG2 3.72Å; K106-T115 HydrophobicContact CD-CG2 4.45Å
116N98.9Very high91.1Very high61 Ų6178.8 Ų78.833%0.32640%0.398SS..EExtended strand (participates in β ladder)trans-138.6134.2-179.3-57.880.4000109.9C38 F103 I104 C114C38-N116 CarbonylContact O-C 3.59Å; C38-N116 WeakPolarHBondContact O-CA 3.26Å; F103-N116 CarbonylContact C-O 3.52Å; F103-N116 VanDerWaalsContact CA-O 3.26Å; F103-N116 WeakPolarHBondContact CA-O 3.19Å; I104-N116 HydrophobicContact CB-CB 3.95Å; I104-N116 HydrophobicContact CD1-CB 4.01Å; I104-N116 HydrophobicContact CG1-CB 4.02Å; I104-N116 PolarHBondContact N-O 2.87Å; C114-N116 PolarHBondContact SG-O 2.91Å; C114-N116 VanDerWaalsContact SG-O 3.35Å
117D98.8Very high88.5Confident1 Ų181.2 Ų81.21%0.00545%0.45CS..EExtended strand (participates in β ladder)trans-136.1128.5179.2-174.9-11.8000108.8Y33 C38 L39 T40 Q101 S102 F103Y33-D117 HydrophobicContact CE1-CB 4.16Å; Y33-D117 PolarHBondContact OH-OD2 3.24Å; C38-D117 PolarHBondContact O-N 2.99Å; L39-D117 CarbonylContact C-O 3.49Å; L39-D117 VanDerWaalsContact CA-O 3.28Å; L39-D117 WeakPolarHBondContact CA-O 3.31Å; L39-D117 HydrophobicContact CD1-CB 3.82Å; T40-D117 PolarHBondContact N-O 3.16Å; Q101-D117 PolarHBondContact NE2-OD1 3.27Å; Q101-D117 PolarHBondContact NE2-OD2 3.14Å; S102-D117 CarbonylContact O-C 3.51Å; S102-D117 WeakPolarHBondContact O-CA 3.44Å; F103-D117 HydrophobicContact CD1-CB 4.23Å; F103-D117 HydrophobicContact CE1-CB 4.45Å
118M98.9Very high88.1Confident99 Ų9982.3 Ų82.349%0.48846%0.456SS..EExtended strand (participates in β ladder)trans-132.7118.9177-65.4-178.1-72.700109.6T40 Q101 S102T40-M118 WeakPolarHBondContact O-CA 3.18Å; Q101-M118 CarbonylContact C-O 3.55Å; Q101-M118 WeakPolarHBondContact CA-O 3.37Å; Q101-M118 WeakPolarHBondContact CG-O 3.29Å; S102-M118 PolarHBondContact N-O 2.86Å; S102-M118 PolarHBondContact O-N 3.37Å
119F98.7Very high87.6Confident5 Ų583.4 Ų83.42%0.02246%0.463CS..EExtended strand (participates in β ladder)trans-118.9135.9-179.1175.4-87.7000111.8T40 W41 E42 L89 F99 Q101 L121T40-F119 PolarHBondContact O-N 3.12Å; W41-F119 HydrophobicContact CD2-CB 4.28Å; W41-F119 AromaticContact CD2-CD1 3.71Å; W41-F119 HydrophobicContact CD2-CD1 3.71Å; W41-F119 HydrophobicContact CD2-CE1 4.41Å; W41-F119 HydrophobicContact CD2-CG 4.19Å; W41-F119 AromaticContact CE2-CD1 3.64Å; W41-F119 AromaticContact CE2-CE1 3.87Å; W41-F119 HydrophobicContact CE3-CB 3.69Å; W41-F119 AromaticContact CE3-CD1 3.77Å; W41-F119 HydrophobicContact CE3-CD1 3.77Å; W41-F119 AromaticContact CE3-CG 3.77Å; W41-F119 HydrophobicContact CE3-CG 3.77Å; W41-F119 HydrophobicContact CG-CD1 4.4Å; W41-F119 AromaticContact CH2-CD1 3.71Å; W41-F119 HydrophobicContact CH2-CD1 3.71Å; W41-F119 HydrophobicContact CH2-CD2 4.08Å; W41-F119 AromaticContact CH2-CE1 3.78Å; W41-F119 HydrophobicContact CH2-CE1 3.78Å; W41-F119 HydrophobicContact CH2-CE2 4.13Å; W41-F119 AromaticContact CH2-CG 3.87Å; W41-F119 HydrophobicContact CH2-CG 3.87Å; W41-F119 AromaticContact CH2-CZ 3.99Å; W41-F119 HydrophobicContact CH2-CZ 3.99Å; W41-F119 AromaticContact CZ2-CD1 3.66Å; W41-F119 HydrophobicContact CZ2-CD1 3.66Å; W41-F119 AromaticContact CZ2-CE1 3.55Å; W41-F119 HydrophobicContact CZ2-CE1 3.55Å; W41-F119 HydrophobicContact CZ2-CG 4.3Å; W41-F119 HydrophobicContact CZ2-CZ 4.08Å; W41-F119 HydrophobicContact CZ3-CB 3.88Å; W41-F119 AromaticContact CZ3-CD1 3.77Å; W41-F119 HydrophobicContact CZ3-CD1 3.77Å; W41-F119 AromaticContact CZ3-CD2 3.99Å; W41-F119 HydrophobicContact CZ3-CD2 3.99Å; W41-F119 HydrophobicContact CZ3-CE1 4.32Å; W41-F119 HydrophobicContact CZ3-CE2 4.49Å; W41-F119 AromaticContact CZ3-CG 3.59Å; W41-F119 HydrophobicContact CZ3-CG 3.59Å; E42-F119 PolarHBondContact N-O 3.32Å; E42-F119 VanDerWaalsContact N-O 3.09Å; L89-F119 HydrophobicContact CD2-CE2 4.02Å; L89-F119 HydrophobicContact CD2-CZ 3.78Å; F99-F119 HydrophobicContact CB-CE2 3.84Å; F99-F119 HydrophobicContact CB-CZ 4.08Å; F99-F119 HydrophobicContact CD2-CD2 4.24Å; F99-F119 AromaticContact CD2-CE2 3.8Å; F99-F119 HydrophobicContact CD2-CE2 3.8Å; F99-F119 AromaticContact CG-CE2 3.96Å; F99-F119 HydrophobicContact CG-CE2 3.96Å; Q101-F119 HydrophobicContact CB-CD2 4.29Å; Q101-F119 HydrophobicContact CG-CB 4.15Å; Q101-F119 HydrophobicContact CG-CD2 4.21Å; F119-L121 HydrophobicContact CE1-CD2 4.2Å; F119-L121 HydrophobicContact CE1-CG 4.02Å; F119-L121 HydrophobicContact CZ-CD2 3.81Å; F119-L121 HydrophobicContact CZ-CG 4.15Å
120R98Very high87.2Confident126 Ų12679.4 Ų79.448%0.47544%0.443SS..EExtended strand (participates in β ladder)trans-143.8134.9172.7-77.6-69.7-168.6-179.51.7111.1E42 G43 F99 H100E42-R120 VanDerWaalsContact C-CZ 3.44Å; E42-R120 PolarHBondContact O-NH1 2.89Å; E42-R120 IonicContact OE2-NH1 3.09Å; E42-R120 PolarHBondContact OE2-NH1 3.3Å; E42-R120 VanDerWaalsContact OE2-NH1 3.09Å; G43-R120 VanDerWaalsContact CA-NH2 3.34Å; F99-R120 CarbonylContact C-O 3.6Å; F99-R120 WeakPolarHBondContact CA-O 3.27Å; H100-R120 PolarHBondContact N-O 2.84Å; H100-R120 PolarHBondContact O-N 2.86Å
121L96.9Very high86.9Confident39 Ų3975.1 Ų75.120%0.20442%0.421CS..EExtended strand (participates in β ladder)trans-70140.5162.3-67.1173.6000109.7E42 L89 M97 F99 F119 L123E42-L121 WeakPolarHBondContact OE1-CB 3.48Å; E42-L121 WeakPolarHBondContact OE1-CG 3.26Å; E42-L121 PolarHBondContact OE1-N 3.49Å; L89-L121 HydrophobicContact CD1-CD2 4.2Å; L89-L121 HydrophobicContact CD2-CD2 3.86Å; L89-L121 HydrophobicContact CG-CD2 4.29Å; M97-L121 HydrophobicContact CB-CD2 4.17Å; M97-L121 HydrophobicContact CE-CD1 4.28Å; M97-L121 HydrophobicContact CE-CD2 4.38Å; M97-L121 HydrophobicContact SD-CD1 4Å; M97-L121 HydrophobicContact SD-CD2 4.37Å; F99-L121 HydrophobicContact CB-CD2 4.3Å; F119-L121 HydrophobicContact CE1-CD2 4.2Å; F119-L121 HydrophobicContact CE1-CG 4.02Å; F119-L121 HydrophobicContact CZ-CD2 3.81Å; F119-L121 HydrophobicContact CZ-CG 4.15Å; L121-L123 HydrophobicContact CB-CD1 4.34Å; L121-L123 HydrophobicContact CB-CD2 4.38Å; L121-L123 HydrophobicContact CB-CG 3.9Å; L121-L123 PolarHBondContact O-N 3.3Å
122A91.4Very high86.3Confident38 Ų3876.7 Ų76.731%0.31442%0.422SS..  trans-78.867.8173.800000109.7G98G98-A122 WeakPolarHBondContact O-CB 3.4Å; G98-A122 PolarHBondContact O-N 3Å
123L84.7Confident85.6Confident103 Ų10376.1 Ų76.154%0.53943%0.428SS..  trans-86.3121.2173.5-59.3176.7000108.7M97 L121 N125M97-L123 HydrophobicContact SD-CD2 4.47Å; L121-L123 HydrophobicContact CB-CD1 4.34Å; L121-L123 HydrophobicContact CB-CD2 4.38Å; L121-L123 HydrophobicContact CB-CG 3.9Å; L121-L123 PolarHBondContact O-N 3.3Å; L123-N125 PolarHBondContact O-N 3.17Å
124H69.9Low84.7Confident149 Ų14980.4 Ų80.469%0.6945%0.452SS*.  trans-76.2109.4168.6-76.1-123.8000108.5F126H124-F126 HydrophobicContact CB-CD2 3.67Å; H124-F126 HydrophobicContact CB-CE2 3.39Å; H124-F126 HydrophobicContact CB-CZ 4.08Å; H124-F126 AromaticContact CG-CE2 3.81Å; H124-F126 AromaticContact ND1-CE2 3.65Å; H124-F126 AromaticContact ND1-CZ 3.48Å; H124-F126 WeakPolarHBondContact ND1-CZ 3.47Å; H124-F126 PolarHBondContact O-N 3.45Å
125N55Low83.6Confident158 Ų15886.5 Ų86.585%0.84549%0.487SS*.  trans-73.882.5163.8-67.9-21.8000108L123 G127L123-N125 PolarHBondContact O-N 3.17Å; N125-G127 VanDerWaalsContact C-N 3.31Å; N125-G127 PolarHBondContact O-N 3.16Å; N125-G127 VanDerWaalsContact O-N 3.16Å
126F51.1Low82.3Confident180 Ų18092.1 Ų92.179%0.78952%0.517SS*.  trans-76.994159.5-65.1-72.7000106.8H124H124-F126 HydrophobicContact CB-CD2 3.67Å; H124-F126 HydrophobicContact CB-CE2 3.39Å; H124-F126 HydrophobicContact CB-CZ 4.08Å; H124-F126 AromaticContact CG-CE2 3.81Å; H124-F126 AromaticContact ND1-CE2 3.65Å; H124-F126 AromaticContact ND1-CZ 3.48Å; H124-F126 WeakPolarHBondContact ND1-CZ 3.47Å; H124-F126 PolarHBondContact O-N 3.45Å
127G45.5Very low80.8Confident146 Ų14694.9 Ų94.9100%1.50553%0.534SS*.  trans-80.20160.800000111.2N125N125-G127 VanDerWaalsContact C-N 3.31Å; N125-G127 PolarHBondContact O-N 3.16Å; N125-G127 VanDerWaalsContact O-N 3.16Å

Retrieved 127 of 127 residues in 56.4 ms (Link to these results)

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