A0A3Q0KN96_SCHMA Loading...

Pyroglutamyl-peptidase I (C15 family)

AlphaFold DB , UniProt , Accession A0A3Q0KN96, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 202 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
1M95.4Very high95.1Very high41 Ų4124.5 Ų24.520%0.20212%0.122CC..  0118.10-165172.3-162.800109.9I3 G40 I41 K42 D69 L70 T192 K195 V197M1-I3 HydrophobicContact CG-CG1 4.09Å; M1-I3 HydrophobicContact SD-CD1 4.34Å; M1-I3 HydrophobicContact SD-CG1 4.36Å; M1-G40 PolarHBondContact N-O 2.78Å; M1-I41 HydrophobicContact CB-CG1 4.4Å; M1-I41 CarbonylContact O-C 3.47Å; M1-I41 WeakPolarHBondContact O-CA 3.49Å; M1-K42 PolarHBondContact O-N 3.41Å; M1-D69 VanDerWaalsContact C-OD2 3.3Å; M1-D69 WeakPolarHBondContact CA-OD2 3.44Å; M1-D69 HydrophobicContact CE-CB 4.15Å; M1-D69 HydrophobicContact CG-CB 3.73Å; M1-L70 HydrophobicContact CE-CB 4.02Å; M1-L70 HydrophobicContact CE-CD2 4.44Å; M1-T192 HydrophobicContact CE-CG2 3.84Å; M1-T192 HydrophobicContact SD-CG2 3.58Å; M1-T192 VanDerWaalsContact SD-CG2 3.58Å; M1-K195 HydrophobicContact CE-CB 4.07Å; M1-K195 HydrophobicContact CE-CD 3.81Å; M1-K195 HydrophobicContact CE-CG 4.32Å; M1-V197 HydrophobicContact CB-CG1 4.47Å; M1-V197 HydrophobicContact CB-CG2 4.44Å; M1-V197 HydrophobicContact SD-CB 3.66Å; M1-V197 HydrophobicContact SD-CG1 3.83Å; M1-V197 HydrophobicContact SD-CG2 3.75Å
2H97.9Very high93.4Very high26 Ų2626.7 Ų26.712%0.1216%0.155CC..EExtended strand (participates in β ladder)trans-101.7115.1174.8-174.9-155.8000109.7K42 E66 D69 L70H2-K42 PolarHBondContact NE2-NZ 3.29Å; H2-E66 IonicContact CE1-OE2 3.07Å; H2-E66 PolarHBondContact CE1-OE2 3.21Å; H2-E66 VanDerWaalsContact CE1-OE2 3.28Å; H2-E66 IonicContact NE2-OE2 3.66Å; H2-D69 PolarHBondContact N-OD2 3.35Å; H2-D69 PolarHBondContact O-N 3.24Å; H2-L70 PolarHBondContact O-N 2.93Å
3I98.5Very high91.6Very high0 Ų031.2 Ų31.20%021%0.211CC..EExtended strand (participates in β ladder)trans-111.1124.2-179.4-52.4171.9000107.5M1 I41 K42 L43 H44 L70 I72 I188 T192M1-I3 HydrophobicContact CG-CG1 4.09Å; M1-I3 HydrophobicContact SD-CD1 4.34Å; M1-I3 HydrophobicContact SD-CG1 4.36Å; I3-I41 HydrophobicContact CD1-CG2 3.7Å; I3-I41 HydrophobicContact CG1-CG2 4.35Å; I3-K42 PolarHBondContact N-O 3Å; I3-L43 HydrophobicContact CB-CD1 3.98Å; I3-L43 HydrophobicContact CG2-CD1 3.83Å; I3-H44 PolarHBondContact O-N 3.44Å; I3-L70 WeakPolarHBondContact CA-O 3.46Å; I3-L70 HydrophobicContact CG1-CB 4.4Å; I3-L70 HydrophobicContact CG2-CB 4.38Å; I3-L70 HydrophobicContact CG2-CD2 4.27Å; I3-L70 HydrophobicContact CG2-CG 4.36Å; I3-I72 HydrophobicContact CG2-CD1 4.5Å; I3-I188 HydrophobicContact CD1-CG2 4Å; I3-T192 HydrophobicContact CD1-CG2 3.5Å; I3-T192 VanDerWaalsContact CD1-CG2 3.5Å; I3-T192 HydrophobicContact CG1-CG2 4.44Å
4I98.8Very high90.4Very high0 Ų032.7 Ų32.70%022%0.221CC..EExtended strand (participates in β ladder)trans-107.7127.6170.6-64.2175.8000108.5T6 H44 I46 I63 E66 P68 L70 V71 I72I4-T6 HydrophobicContact CG2-CG2 4.35Å; I4-H44 CarbonylContact C-O 2.95Å; I4-H44 VanDerWaalsContact CA-O 3.31Å; I4-H44 WeakPolarHBondContact CA-O 3.33Å; I4-H44 HydrophobicContact CG1-CB 4.1Å; I4-I46 HydrophobicContact CG2-CD1 4.06Å; I4-I46 HydrophobicContact CG2-CG1 4.49Å; I4-I63 HydrophobicContact CB-CG2 4.48Å; I4-I63 HydrophobicContact CD1-CB 4.43Å; I4-I63 HydrophobicContact CD1-CG1 4.44Å; I4-I63 HydrophobicContact CD1-CG2 3.97Å; I4-I63 HydrophobicContact CG2-CD1 4.09Å; I4-I63 HydrophobicContact CG2-CG1 4.07Å; I4-I63 HydrophobicContact CG2-CG2 4.38Å; I4-E66 HydrophobicContact CD1-CB 4.32Å; I4-P68 HydrophobicContact CD1-CB 3.94Å; I4-P68 HydrophobicContact CD1-CG 4.06Å; I4-P68 HydrophobicContact CG1-CB 4.07Å; I4-L70 PolarHBondContact N-O 3.19Å; I4-V71 CarbonylContact O-C 3.59Å; I4-V71 VanDerWaalsContact O-CA 3.31Å; I4-V71 WeakPolarHBondContact O-CA 3.19Å; I4-I72 PolarHBondContact O-N 2.74Å
5I98.8Very high89.4Confident0 Ų043.4 Ų43.40%027%0.266CS..EExtended strand (participates in β ladder)trans-122.7134.1173.6-173.6165.7000110.9V23 L26 L43 H44 T45 I46 I72 V74 L184 I188I5-V23 HydrophobicContact CD1-CG2 4.33Å; I5-V23 HydrophobicContact CG1-CG2 4.06Å; I5-V23 HydrophobicContact CG2-CG1 4.16Å; I5-L26 HydrophobicContact CD1-CD2 3.72Å; I5-L26 HydrophobicContact CG2-CD2 4.31Å; I5-L43 HydrophobicContact CG2-CD1 3.97Å; I5-H44 PolarHBondContact N-O 3.19Å; I5-T45 HydrophobicContact CG2-CG2 3.7Å; I5-T45 CarbonylContact O-C 3.49Å; I5-T45 WeakPolarHBondContact O-CA 3.47Å; I5-I46 PolarHBondContact O-N 3.29Å; I5-I72 CarbonylContact C-O 3.49Å; I5-I72 VanDerWaalsContact CA-O 3.23Å; I5-I72 WeakPolarHBondContact CA-O 3.28Å; I5-I72 HydrophobicContact CB-CB 4.33Å; I5-I72 HydrophobicContact CD1-CB 4.18Å; I5-I72 HydrophobicContact CD1-CG2 4.02Å; I5-I72 HydrophobicContact CG1-CB 3.98Å; I5-I72 HydrophobicContact CG1-CG2 4.16Å; I5-I72 WeakPolarHBondContact CG1-O 3.41Å; I5-V74 HydrophobicContact CD1-CG2 3.83Å; I5-V74 HydrophobicContact CG1-CG2 3.88Å; I5-L184 HydrophobicContact CD1-CD1 4.48Å; I5-I188 HydrophobicContact CD1-CD1 4.15Å
6T98.9Very high89.2Confident0 Ų043.9 Ų43.90%027%0.273CS..EExtended strand (participates in β ladder)trans-117.2149.1-177.878.30000112.5I4 I46 V49 I63 I72 H73 V74I4-T6 HydrophobicContact CG2-CG2 4.35Å; T6-I46 CarbonylContact C-O 3.56Å; T6-I46 WeakPolarHBondContact CA-O 3.33Å; T6-I46 HydrophobicContact CG2-CB 4.09Å; T6-I46 HydrophobicContact CG2-CD1 4.31Å; T6-V49 HydrophobicContact CG2-CG2 4.49Å; T6-I63 HydrophobicContact CG2-CD1 3.64Å; T6-I72 PolarHBondContact N-O 3.08Å; T6-H73 PolarHBondContact OG1-ND1 3.31Å; T6-V74 WeakPolarHBondContact O-CA 3.2Å; T6-V74 VanDerWaalsContact O-CB 3.24Å; T6-V74 WeakPolarHBondContact O-CB 3.4Å; T6-V74 WeakPolarHBondContact O-CG2 3.39Å; T6-V74 PolarHBondContact O-N 2.9Å
7G98.5Very high89.5Confident0 Ų041.9 Ų41.90%026%0.26CS..EExtended strand (participates in β ladder)trans-121.3159.5162.800000110.4I46 E47 V49G7-I46 PolarHBondContact N-O 3.1Å; G7-E47 CarbonylContact C-O 3.45Å; G7-E47 VanDerWaalsContact C-O 3.27Å; G7-E47 CarbonylContact O-C 3.54Å; G7-E47 VanDerWaalsContact O-O 3.14Å; G7-V49 WeakPolarHBondContact O-CB 3.02Å; G7-V49 WeakPolarHBondContact O-CG2 3.33Å; G7-V49 PolarHBondContact O-N 3.02Å
8F97.8Very high89.8Confident4 Ų439.8 Ų39.82%0.01825%0.247CC..EExtended strand (participates in β ladder)trans-92.9138.2174-82.2-74.2000111N17 S19 S20 V49 V51 V56 L148 I152 F166F8-N17 WeakPolarHBondContact O-CB 3.34Å; F8-N17 PolarHBondContact O-ND2 3.05Å; F8-S19 PolarHBondContact N-OG 3.23Å; F8-S19 PolarHBondContact O-OG 3.41Å; F8-S20 VanDerWaalsContact C-OG 3.26Å; F8-S20 PolarHBondContact O-OG 3.45Å; F8-V49 WeakPolarHBondContact CA-O 3.41Å; F8-V49 HydrophobicContact CD1-CB 4.15Å; F8-V49 HydrophobicContact CD1-CG1 4.31Å; F8-V49 WeakPolarHBondContact CD1-O 3.3Å; F8-V49 HydrophobicContact CE1-CB 4.41Å; F8-V49 HydrophobicContact CE1-CG1 4.15Å; F8-V51 HydrophobicContact CB-CG2 4.07Å; F8-V51 HydrophobicContact CD1-CG2 3.88Å; F8-V51 HydrophobicContact CG-CG2 4.34Å; F8-V56 HydrophobicContact CE1-CG2 3.77Å; F8-V56 HydrophobicContact CZ-CG2 4.31Å; F8-L148 HydrophobicContact CE1-CB 4.02Å; F8-L148 HydrophobicContact CZ-CB 4.13Å; F8-L148 WeakPolarHBondContact CZ-O 3.02Å; F8-I152 HydrophobicContact CE2-CG2 3.88Å; F8-I152 HydrophobicContact CZ-CB 4.07Å; F8-I152 HydrophobicContact CZ-CD1 4.24Å; F8-I152 HydrophobicContact CZ-CG2 3.58Å; F8-F166 HydrophobicContact CE2-CE2 4.13Å; F8-F166 HydrophobicContact CE2-CZ 4.27Å
9G94Very high90.2Very high7 Ų737.7 Ų37.77%0.07223%0.234CC..  trans-65.4-163.6170.900000113.3N17 V49G9-N17 WeakPolarHBondContact O-CB 3.45Å; G9-N17 PolarHBondContact O-ND2 3.44Å; G9-V49 PolarHBondContact N-O 3.26Å
10L87.8Confident90.6Very high107 Ų10736.4 Ų36.456%0.5623%0.226SC*.  trans-58.8141.7-177.1-58.5179.3000112.1E15 V51L10-E15 WeakPolarHBondContact CD2-O 3.45Å; L10-V51 WeakPolarHBondContact O-CG2 3.28Å
11F80.3Confident90.9Very high85 Ų8537.9 Ų37.937%0.37323%0.232SC..  trans-137.2136.2178.9171.9-111.3000110G13 C14 V51 M99 F147F11-G13 PolarHBondContact O-N 3.39Å; F11-C14 WeakPolarHBondContact O-CB 3.33Å; F11-C14 PolarHBondContact O-N 3.31Å; F11-V51 HydrophobicContact CB-CG2 4.18Å; F11-V51 HydrophobicContact CD2-CG1 3.89Å; F11-M99 HydrophobicContact CD2-CG 4.32Å; F11-M99 HydrophobicContact CD2-SD 3.63Å; F11-M99 HydrophobicContact CE2-SD 4.16Å; F11-F147 AromaticContact CD2-CE1 3.7Å; F11-F147 HydrophobicContact CD2-CE1 3.7Å; F11-F147 HydrophobicContact CD2-CZ 4.37Å; F11-F147 HydrophobicContact CE2-CD1 4.04Å; F11-F147 AromaticContact CE2-CE1 3.17Å; F11-F147 HydrophobicContact CE2-CE1 3.17Å; F11-F147 AromaticContact CE2-CZ 3.69Å; F11-F147 HydrophobicContact CE2-CZ 3.69Å; F11-F147 HydrophobicContact CZ-CD1 4.36Å; F11-F147 AromaticContact CZ-CE1 3.89Å; F11-F147 HydrophobicContact CZ-CE1 3.89Å
12G73.8Confident91.1Very high50 Ų5035.9 Ų35.952%0.51522%0.222SC..THydrogen-bonded Turntrans57.8-134.2-179.800000112M99G12-M99 PolarHBondContact N-SD 3.3Å
13G70.9Confident91.1Very high85 Ų8534.7 Ų34.788%0.87622%0.217SC*.THydrogen-bonded Turntrans-94.212.2175.800000114.5F11F11-G13 PolarHBondContact O-N 3.39Å
14C73.8Confident91.1Very high53 Ų5336.8 Ų36.836%0.35823%0.228SC..  trans-76128.6-178.2-64.10000110.9F11 S16F11-C14 WeakPolarHBondContact O-CB 3.33Å; F11-C14 PolarHBondContact O-N 3.31Å; C14-S16 WeakPolarHBondContact CB-O 3.36Å; C14-S16 PolarHBondContact O-N 3.3Å
15E76.7Confident91Very high193 Ų19340.6 Ų40.690%0.90224%0.242SC*.SBendtrans-69.6-16.6176.5-63-175.1165.100113.3L10L10-E15 WeakPolarHBondContact CD2-O 3.45Å
16S85.3Confident91Very high52 Ų5240.6 Ų40.636%0.36424%0.242SC..  trans-150.8157.9175.961.50000110.8C14C14-S16 WeakPolarHBondContact CB-O 3.36Å; C14-S16 PolarHBondContact O-N 3.3Å
17N94.3Very high91Very high10 Ų1045.2 Ų45.25%0.05326%0.26CS..  trans-114.6121171.7-170.1-39.2000109F8 G9 S19 S20 L21 M76F8-N17 WeakPolarHBondContact O-CB 3.34Å; F8-N17 PolarHBondContact O-ND2 3.05Å; G9-N17 WeakPolarHBondContact O-CB 3.45Å; G9-N17 PolarHBondContact O-ND2 3.44Å; N17-S19 VanDerWaalsContact CG-OG 3.31Å; N17-S19 PolarHBondContact O-N 3.28Å; N17-S19 VanDerWaalsContact O-N 3.15Å; N17-S19 WeakPolarHBondContact OD1-CB 3.21Å; N17-S19 PolarHBondContact OD1-N 2.87Å; N17-S19 PolarHBondContact OD1-OG 2.86Å; N17-S20 PolarHBondContact O-N 3.08Å; N17-S20 VanDerWaalsContact O-N 3.11Å; N17-L21 PolarHBondContact O-N 2.84Å; N17-L21 VanDerWaalsContact O-N 3.14Å; N17-M76 WeakPolarHBondContact OD1-CB 3.44Å
18S95.9Very high90.9Very high4 Ų449.4 Ų49.43%0.02828%0.279CS..Hα-helixtrans-55.9-32.2-179.6-76.40000113.3L21 A22 P170 C171 A172S18-L21 PolarHBondContact O-N 2.84Å; S18-A22 WeakPolarHBondContact O-CB 3.48Å; S18-A22 PolarHBondContact O-N 2.72Å; S18-P170 WeakPolarHBondContact CB-O 3.31Å; S18-P170 PolarHBondContact OG-O 3.26Å; S18-P170 VanDerWaalsContact OG-O 3.05Å; S18-C171 VanDerWaalsContact OG-C 3.23Å; S18-C171 VanDerWaalsContact OG-CA 3.24Å; S18-C171 WeakPolarHBondContact OG-CA 3.33Å; S18-A172 PolarHBondContact OG-N 3.17Å
19S97.7Very high90.9Very high0 Ų050.3 Ų50.30%028%0.284CS..Hα-helixtrans-63.8-47.1177.565.30000111.6F8 N17 L21 A22 V23 V74F8-S19 PolarHBondContact N-OG 3.23Å; F8-S19 PolarHBondContact O-OG 3.41Å; N17-S19 VanDerWaalsContact CG-OG 3.31Å; N17-S19 PolarHBondContact O-N 3.28Å; N17-S19 VanDerWaalsContact O-N 3.15Å; N17-S19 WeakPolarHBondContact OD1-CB 3.21Å; N17-S19 PolarHBondContact OD1-N 2.87Å; N17-S19 PolarHBondContact OD1-OG 2.86Å; S19-L21 PolarHBondContact O-N 3.14Å; S19-A22 PolarHBondContact O-N 2.7Å; S19-V23 WeakPolarHBondContact O-CB 3.39Å; S19-V23 VanDerWaalsContact O-CG2 3.23Å; S19-V23 WeakPolarHBondContact O-CG2 3.48Å; S19-V23 PolarHBondContact O-N 2.82Å; S19-V74 VanDerWaalsContact CB-O 3.26Å; S19-V74 WeakPolarHBondContact CB-O 3.29Å
20S97.6Very high91Very high11 Ų1150.4 Ų50.48%0.07728%0.282CS..Hα-helixtrans-59-47.1173.3-64.10000112.7F8 N17 A22 V23 N24 E47 N48F8-S20 VanDerWaalsContact C-OG 3.26Å; F8-S20 PolarHBondContact O-OG 3.45Å; N17-S20 PolarHBondContact O-N 3.08Å; N17-S20 VanDerWaalsContact O-N 3.11Å; S20-A22 PolarHBondContact O-N 3.14Å; S20-V23 PolarHBondContact O-N 3.28Å; S20-N24 WeakPolarHBondContact O-CB 3.44Å; S20-N24 PolarHBondContact O-N 3.4Å; S20-E47 VanDerWaalsContact CA-O 3.28Å; S20-E47 WeakPolarHBondContact CA-O 3.39Å; S20-E47 WeakPolarHBondContact CB-O 3.39Å; S20-E47 PolarHBondContact OG-O 2.82Å; S20-N48 WeakPolarHBondContact CB-OD1 3.44Å; S20-N48 PolarHBondContact OG-OD1 3.29Å
21L97.4Very high91.4Very high67 Ų6749.8 Ų49.835%0.35128%0.279SS..Hα-helixtrans-62-45.3-178.3-65.1178.3000111.2N17 S18 S19 N24 R25 P177N17-L21 PolarHBondContact O-N 2.84Å; N17-L21 VanDerWaalsContact O-N 3.14Å; S18-L21 PolarHBondContact O-N 2.84Å; S19-L21 PolarHBondContact O-N 3.14Å; L21-N24 PolarHBondContact O-N 3.23Å; L21-R25 WeakPolarHBondContact O-CB 3.34Å; L21-R25 PolarHBondContact O-N 3.09Å; L21-P177 HydrophobicContact CB-CB 4.07Å; L21-P177 HydrophobicContact CB-CG 4.14Å; L21-P177 HydrophobicContact CD1-CG 4.07Å
22A97.8Very high92Very high0 Ų054.7 Ų54.70%030%0.301CS..Hα-helixtrans-67.4-41.7179.800000112.1S18 S19 S20 R25 L26 T180 L184S18-A22 WeakPolarHBondContact O-CB 3.48Å; S18-A22 PolarHBondContact O-N 2.72Å; S19-A22 PolarHBondContact O-N 2.7Å; S20-A22 PolarHBondContact O-N 3.14Å; A22-R25 PolarHBondContact O-N 2.87Å; A22-L26 VanDerWaalsContact O-CB 3.25Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 3.5Å; A22-T180 HydrophobicContact CB-CG2 3.47Å; A22-T180 VanDerWaalsContact CB-CG2 3.47Å; A22-L184 HydrophobicContact CB-CD1 3.79Å
23V98.5Very high92.9Very high0 Ų054.7 Ų54.70%029%0.291CS..Hα-helixtrans-65.9-41177.5172.90000111.2I5 S19 S20 L26 R27 T45 E47 V74I5-V23 HydrophobicContact CD1-CG2 4.33Å; I5-V23 HydrophobicContact CG1-CG2 4.06Å; I5-V23 HydrophobicContact CG2-CG1 4.16Å; S19-V23 WeakPolarHBondContact O-CB 3.39Å; S19-V23 VanDerWaalsContact O-CG2 3.23Å; S19-V23 WeakPolarHBondContact O-CG2 3.48Å; S19-V23 PolarHBondContact O-N 2.82Å; S20-V23 PolarHBondContact O-N 3.28Å; V23-L26 PolarHBondContact O-N 2.99Å; V23-R27 PolarHBondContact O-N 2.76Å; V23-T45 HydrophobicContact CG1-CG2 4.03Å; V23-E47 HydrophobicContact CB-CG 4.37Å; V23-E47 HydrophobicContact CG1-CG 3.82Å; V23-V74 HydrophobicContact CG2-CB 4.24Å; V23-V74 HydrophobicContact CG2-CG2 4.07Å
24N98.2Very high94Very high45 Ų4551 Ų5124%0.24125%0.251CS..Hα-helixtrans-62.8-44.9174-175.9-82.6000111.2S20 L21 R27 Q28 E47S20-N24 WeakPolarHBondContact O-CB 3.44Å; S20-N24 PolarHBondContact O-N 3.4Å; L21-N24 PolarHBondContact O-N 3.23Å; N24-R27 PolarHBondContact ND2-NH2 3.48Å; N24-R27 VanDerWaalsContact ND2-NH2 3.19Å; N24-R27 WeakPolarHBondContact O-CB 3.37Å; N24-R27 PolarHBondContact O-N 3Å; N24-Q28 WeakPolarHBondContact O-CG 3.27Å; N24-Q28 PolarHBondContact O-N 2.92Å; N24-Q28 VanDerWaalsContact O-N 3.15Å; N24-Q28 PolarHBondContact OD1-NE2 2.94Å; N24-E47 WeakPolarHBondContact CA-OE1 3.36Å; N24-E47 HydrophobicContact CB-CG 4.08Å; N24-E47 PolarHBondContact ND2-OE1 3.41Å; N24-E47 VanDerWaalsContact ND2-OE1 3.17Å; N24-E47 PolarHBondContact ND2-OE2 3.41Å
25R98.1Very high94.4Very high79 Ų7952.1 Ų52.130%0.29826%0.256SS..Hα-helixtrans-66.8-39.5-179.9-176.154.9-178.1161.33.5112.3L21 A22 R27 Q28 I29 E178 A181L21-R25 WeakPolarHBondContact O-CB 3.34Å; L21-R25 PolarHBondContact O-N 3.09Å; A22-R25 PolarHBondContact O-N 2.87Å; R25-R27 VanDerWaalsContact C-N 3.31Å; R25-R27 PolarHBondContact O-N 3.23Å; R25-Q28 WeakPolarHBondContact O-CB 3.16Å; R25-Q28 PolarHBondContact O-N 3.49Å; R25-Q28 VanDerWaalsContact O-N 3.11Å; R25-I29 HydrophobicContact CG-CD1 4.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.31Å; R25-I29 PolarHBondContact O-N 3.32Å; R25-E178 IonicContact CZ-OE1 3.18Å; R25-E178 IonicContact CZ-OE2 3.66Å; R25-E178 IonicContact NE-OE1 3.47Å; R25-E178 IonicContact NE-OE2 3.42Å; R25-E178 PolarHBondContact NE-OE2 2.9Å; R25-E178 VanDerWaalsContact NH2-CD 3.33Å; R25-E178 IonicContact NH2-OE1 3.46Å; R25-E178 PolarHBondContact NH2-OE1 2.83Å; R25-E178 IonicContact NH2-OE2 2.8Å; R25-E178 PolarHBondContact NH2-OE2 3.09Å; R25-A181 HydrophobicContact CB-CB 3.87Å; R25-A181 HydrophobicContact CG-CB 3.81Å
26L98.2Very high94.8Very high0 Ų049.8 Ų49.80%025%0.249CC..Hα-helixtrans-57.4-44172.2171.964.4000111.2I5 A22 V23 Q28 I29 W30 L43 A181 L184 L185 I188I5-L26 HydrophobicContact CD1-CD2 3.72Å; I5-L26 HydrophobicContact CG2-CD2 4.31Å; A22-L26 VanDerWaalsContact O-CB 3.25Å; A22-L26 WeakPolarHBondContact O-CB 3.43Å; A22-L26 PolarHBondContact O-N 3.5Å; V23-L26 PolarHBondContact O-N 2.99Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 2.82Å; L26-I29 PolarHBondContact O-N 3.3Å; L26-W30 VanDerWaalsContact O-CB 3.31Å; L26-W30 WeakPolarHBondContact O-CB 3.31Å; L26-W30 PolarHBondContact O-N 3.38Å; L26-L43 HydrophobicContact CG-CD2 4.3Å; L26-A181 HydrophobicContact CB-CB 4.15Å; L26-L184 HydrophobicContact CD2-CB 4.25Å; L26-L185 HydrophobicContact CD1-CB 3.81Å; L26-L185 HydrophobicContact CD1-CD1 4.13Å; L26-I188 HydrophobicContact CD1-CD1 4.31Å; L26-I188 HydrophobicContact CD2-CD1 3.46Å; L26-I188 VanDerWaalsContact CD2-CD1 3.46Å; L26-I188 HydrophobicContact CG-CD1 4.44Å
27R98Very high94.7Very high97 Ų9748.9 Ų48.937%0.36625%0.245SC..Hα-helixtrans-57.4-43.6174.3177.3170.255.2131.6-0111.7V23 N24 R25 W30 N31 T45 E47V23-R27 PolarHBondContact O-N 2.76Å; N24-R27 PolarHBondContact ND2-NH2 3.48Å; N24-R27 VanDerWaalsContact ND2-NH2 3.19Å; N24-R27 WeakPolarHBondContact O-CB 3.37Å; N24-R27 PolarHBondContact O-N 3Å; R25-R27 VanDerWaalsContact C-N 3.31Å; R25-R27 PolarHBondContact O-N 3.23Å; R27-W30 PolarHBondContact O-N 3.03Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.4Å; R27-T45 HydrophobicContact CB-CG2 3.82Å; R27-T45 VanDerWaalsContact CD-OG1 3.3Å; R27-T45 WeakPolarHBondContact CD-OG1 3.24Å; R27-T45 HydrophobicContact CG-CG2 4.4Å; R27-E47 IonicContact CZ-OE1 3.69Å; R27-E47 IonicContact NE-OE1 3.86Å; R27-E47 PolarHBondContact NE-OE1 3.23Å; R27-E47 IonicContact NH2-OE1 2.82Å; R27-E47 PolarHBondContact NH2-OE1 2.93Å; R27-E47 IonicContact NH2-OE2 3.65Å; R27-E47 PolarHBondContact NH2-OE2 2.89Å
28Q97.9Very high94.3Very high89 Ų8948.9 Ų48.942%0.41625%0.246SC..Hα-helixtrans-63.7-45.4178.7-62.5173.412.600112N24 R25 L26 N31 K32N24-Q28 WeakPolarHBondContact O-CG 3.27Å; N24-Q28 PolarHBondContact O-N 2.92Å; N24-Q28 VanDerWaalsContact O-N 3.15Å; N24-Q28 PolarHBondContact OD1-NE2 2.94Å; R25-Q28 WeakPolarHBondContact O-CB 3.16Å; R25-Q28 PolarHBondContact O-N 3.49Å; R25-Q28 VanDerWaalsContact O-N 3.11Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 2.82Å; Q28-N31 PolarHBondContact O-N 3.43Å; Q28-K32 WeakPolarHBondContact O-CB 3.34Å; Q28-K32 PolarHBondContact O-N 3.24Å; Q28-K32 VanDerWaalsContact O-N 3.1Å
29I96.5Very high93.7Very high23 Ų2356.2 Ų56.212%0.11828%0.283CS..Hα-helixtrans-61-46.8175.9-65.8167.8000110.1R25 L26 N31 K32 T33 Y34 A181 I182 L185R25-I29 HydrophobicContact CG-CD1 4.23Å; R25-I29 WeakPolarHBondContact O-CG1 3.31Å; R25-I29 PolarHBondContact O-N 3.32Å; L26-I29 PolarHBondContact O-N 3.3Å; I29-N31 PolarHBondContact O-N 3Å; I29-K32 PolarHBondContact O-N 2.87Å; I29-T33 WeakPolarHBondContact O-CB 3.46Å; I29-T33 PolarHBondContact O-N 3.29Å; I29-T33 PolarHBondContact O-OG1 3.09Å; I29-Y34 HydrophobicContact CG2-CE2 4.41Å; I29-A181 HydrophobicContact CD1-CB 3.99Å; I29-I182 HydrophobicContact CD1-CG1 4.35Å; I29-L185 HydrophobicContact CG2-CD2 4.24Å
30W96.5Very high93.4Very high9 Ų959 Ų593%0.03431%0.312CS..Hα-helixtrans-57.9-51.1178.6-172.9-88.2000111.6L26 R27 K32 T33 Y34 T35 C38 I41 L43 L185 I199L26-W30 VanDerWaalsContact O-CB 3.31Å; L26-W30 WeakPolarHBondContact O-CB 3.31Å; L26-W30 PolarHBondContact O-N 3.38Å; R27-W30 PolarHBondContact O-N 3.03Å; W30-K32 VanDerWaalsContact C-N 3.26Å; W30-K32 PolarHBondContact O-N 3.33Å; W30-T33 PolarHBondContact O-N 3.1Å; W30-Y34 HydrophobicContact CD2-CG 4.42Å; W30-Y34 HydrophobicContact CE3-CD2 4.23Å; W30-Y34 HydrophobicContact CE3-CG 4.09Å; W30-Y34 HydrophobicContact CZ3-CG 4.28Å; W30-Y34 WeakPolarHBondContact O-CA 3.43Å; W30-Y34 WeakPolarHBondContact O-CB 3.33Å; W30-Y34 PolarHBondContact O-N 2.95Å; W30-T35 PolarHBondContact O-N 2.83Å; W30-C38 HydrophobicContact CH2-CB 4.2Å; W30-C38 HydrophobicContact CZ2-CB 3.98Å; W30-I41 HydrophobicContact CH2-CB 4.4Å; W30-I41 HydrophobicContact CH2-CG2 3.82Å; W30-I41 HydrophobicContact CZ2-CB 4.11Å; W30-I41 HydrophobicContact CZ2-CG2 3.73Å; W30-L43 HydrophobicContact CB-CD2 3.73Å; W30-L43 HydrophobicContact CD2-CB 3.99Å; W30-L43 HydrophobicContact CD2-CD2 3.6Å; W30-L43 HydrophobicContact CD2-CG 4.42Å; W30-L43 HydrophobicContact CE3-CD2 3.87Å; W30-L43 HydrophobicContact CG-CB 4.14Å; W30-L43 HydrophobicContact CG-CD2 3.52Å; W30-L43 HydrophobicContact CG-CG 4.47Å; W30-L43 HydrophobicContact CZ2-CB 4.24Å; W30-L185 HydrophobicContact CE3-CD1 4.05Å; W30-L185 HydrophobicContact CZ3-CD1 4.12Å; W30-I199 HydrophobicContact CH2-CD1 3.9Å; W30-I199 HydrophobicContact CH2-CG1 4.32Å; W30-I199 HydrophobicContact CZ3-CD1 4.01Å; W30-I199 HydrophobicContact CZ3-CG2 4.41Å
31N95.5Very high93.3Very high93 Ų9359.7 Ų59.750%0.49731%0.314SS..Hα-helixtrans-62.5-35.6-177.6-73-8.3000112.5R27 Q28 I29 T35R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 3.4Å; Q28-N31 PolarHBondContact O-N 3.43Å; I29-N31 PolarHBondContact O-N 3Å; N31-T35 VanDerWaalsContact CA-OG1 3.28Å; N31-T35 WeakPolarHBondContact CA-OG1 3.34Å; N31-T35 PolarHBondContact O-OG1 2.92Å
32K94.6Very high93.2Very high188 Ų18861.9 Ų61.982%0.81732%0.321SS*.Hα-helixtrans-75.4-36.1-179.2-175.5178.9177.3-175.90112.9Q28 I29 W30Q28-K32 WeakPolarHBondContact O-CB 3.34Å; Q28-K32 PolarHBondContact O-N 3.24Å; Q28-K32 VanDerWaalsContact O-N 3.1Å; I29-K32 PolarHBondContact O-N 2.87Å; W30-K32 VanDerWaalsContact C-N 3.26Å; W30-K32 PolarHBondContact O-N 3.33Å
33T92.8Very high93.2Very high51 Ų5163.1 Ų63.131%0.31333%0.328SS..Hα-helixtrans-114.5-30.5-165.1-550000113.6I29 W30 K202I29-T33 WeakPolarHBondContact O-CB 3.46Å; I29-T33 PolarHBondContact O-N 3.29Å; I29-T33 PolarHBondContact O-OG1 3.09Å; W30-T33 PolarHBondContact O-N 3.1Å; T33-K202 HydrophobicContact CG2-CB 3.51Å; T33-K202 HydrophobicContact CG2-CD 4.25Å; T33-K202 HydrophobicContact CG2-CG 4.25Å
34Y92.3Very high93.2Very high8 Ų866 Ų663%0.03134%0.341CS..THydrogen-bonded Turntrans-116.5-17.2-164-66.5-82.5000115I29 W30 D36 A37 C38 L185 I199 P200 K202I29-Y34 HydrophobicContact CG2-CE2 4.41Å; W30-Y34 HydrophobicContact CD2-CG 4.42Å; W30-Y34 HydrophobicContact CE3-CD2 4.23Å; W30-Y34 HydrophobicContact CE3-CG 4.09Å; W30-Y34 HydrophobicContact CZ3-CG 4.28Å; W30-Y34 WeakPolarHBondContact O-CA 3.43Å; W30-Y34 WeakPolarHBondContact O-CB 3.33Å; W30-Y34 PolarHBondContact O-N 2.95Å; Y34-D36 VanDerWaalsContact C-N 3.3Å; Y34-D36 PolarHBondContact O-N 2.69Å; Y34-A37 PolarHBondContact O-N 2.96Å; Y34-A37 VanDerWaalsContact O-N 3.08Å; Y34-C38 WeakPolarHBondContact O-CB 3.29Å; Y34-C38 PolarHBondContact O-N 2.93Å; Y34-L185 HydrophobicContact CE2-CD1 4.36Å; Y34-L185 HydrophobicContact CE2-CD2 3.67Å; Y34-I199 HydrophobicContact CD1-CG2 4.07Å; Y34-I199 HydrophobicContact CE1-CG2 3.93Å; Y34-P200 WeakPolarHBondContact CE1-O 3.19Å; Y34-K202 HydrophobicContact CE1-CB 4.2Å; Y34-K202 HydrophobicContact CE1-CG 4.22Å
35T83.9Confident93.2Very high75 Ų7564.8 Ų64.846%0.4634%0.335SS..THydrogen-bonded Turntrans-50.3-48.8-179.1-50.90000112.7W30 N31W30-T35 PolarHBondContact O-N 2.83Å; N31-T35 VanDerWaalsContact CA-OG1 3.28Å; N31-T35 WeakPolarHBondContact CA-OG1 3.34Å; N31-T35 PolarHBondContact O-OG1 2.92Å
36D85.1Confident93.2Very high144 Ų14463.1 Ų63.177%0.7733%0.332SS*.THydrogen-bonded Turntrans-86.6-22.1-178.9-57.5-32.1000112.7Y34Y34-D36 VanDerWaalsContact C-N 3.3Å; Y34-D36 PolarHBondContact O-N 2.69Å
37A82.2Confident93.1Very high34 Ų3464.6 Ų64.628%0.28134%0.339SS..THydrogen-bonded Turntrans-84-26.7-176.500000113.3Y34 K202Y34-A37 PolarHBondContact O-N 2.96Å; Y34-A37 VanDerWaalsContact O-N 3.08Å; A37-K202 HydrophobicContact CB-CD 4.33Å; A37-K202 VanDerWaalsContact CB-CE 3.49Å
38C86.5Confident93Very high9 Ų964.8 Ų64.86%0.06135%0.347CS..SBendtrans-114.152.6-173.3-69.50000110.9W30 Y34 G40 I41W30-C38 HydrophobicContact CH2-CB 4.2Å; W30-C38 HydrophobicContact CZ2-CB 3.98Å; Y34-C38 WeakPolarHBondContact O-CB 3.29Å; Y34-C38 PolarHBondContact O-N 2.93Å; C38-G40 PolarHBondContact O-N 3.03Å; C38-I41 HydrophobicContact CB-CB 4.11Å; C38-I41 HydrophobicContact CB-CD1 4.07Å; C38-I41 HydrophobicContact CB-CG1 4.29Å; C38-I41 PolarHBondContact O-N 2.86Å
39I83Confident93Very high158 Ų15860.7 Ų60.781%0.8133%0.328SS*.THydrogen-bonded Turntrans-55.1124.6177.4-59.9175000109.1
40G91.5Very high93.1Very high59 Ų5963 Ų6361%0.60834%0.344SS*.THydrogen-bonded Turntrans93.2-3-177.300000115M1 C38M1-G40 PolarHBondContact N-O 2.78Å; C38-G40 PolarHBondContact O-N 3.03Å
41I95.7Very high93.1Very high25 Ų2563 Ų6313%0.12835%0.345CS..  trans-104.2115.9169.6-52.3-179.3000109.4M1 I3 W30 C38 V197 I199M1-I41 HydrophobicContact CB-CG1 4.4Å; M1-I41 CarbonylContact O-C 3.47Å; M1-I41 WeakPolarHBondContact O-CA 3.49Å; I3-I41 HydrophobicContact CD1-CG2 3.7Å; I3-I41 HydrophobicContact CG1-CG2 4.35Å; W30-I41 HydrophobicContact CH2-CB 4.4Å; W30-I41 HydrophobicContact CH2-CG2 3.82Å; W30-I41 HydrophobicContact CZ2-CB 4.11Å; W30-I41 HydrophobicContact CZ2-CG2 3.73Å; C38-I41 HydrophobicContact CB-CB 4.11Å; C38-I41 HydrophobicContact CB-CD1 4.07Å; C38-I41 HydrophobicContact CB-CG1 4.29Å; C38-I41 PolarHBondContact O-N 2.86Å; I41-V197 HydrophobicContact CD1-CG1 3.66Å; I41-V197 HydrophobicContact CG1-CG1 4.16Å; I41-I199 HydrophobicContact CD1-CD1 4.16Å; I41-I199 HydrophobicContact CD1-CG1 3.49Å; I41-I199 VanDerWaalsContact CD1-CG1 3.49Å
42K95.5Very high93.1Very high113 Ų11358.9 Ų58.949%0.49132%0.324SS..EExtended strand (participates in β ladder)trans-100.6111.8172.6179.8-174.2171-147.20108.5M1 H2 I3M1-K42 PolarHBondContact O-N 3.41Å; H2-K42 PolarHBondContact NE2-NZ 3.29Å; I3-K42 PolarHBondContact N-O 3Å
43L97.3Very high93.3Very high26 Ų2650.5 Ų50.514%0.13629%0.287CS..EExtended strand (participates in β ladder)trans-93.4115.4169.1-17568.5000109.3I3 I5 L26 W30 T45 I188I3-L43 HydrophobicContact CB-CD1 3.98Å; I3-L43 HydrophobicContact CG2-CD1 3.83Å; I5-L43 HydrophobicContact CG2-CD1 3.97Å; L26-L43 HydrophobicContact CG-CD2 4.3Å; W30-L43 HydrophobicContact CB-CD2 3.73Å; W30-L43 HydrophobicContact CD2-CB 3.99Å; W30-L43 HydrophobicContact CD2-CD2 3.6Å; W30-L43 HydrophobicContact CD2-CG 4.42Å; W30-L43 HydrophobicContact CE3-CD2 3.87Å; W30-L43 HydrophobicContact CG-CB 4.14Å; W30-L43 HydrophobicContact CG-CD2 3.52Å; W30-L43 HydrophobicContact CG-CG 4.47Å; W30-L43 HydrophobicContact CZ2-CB 4.24Å; L43-T45 HydrophobicContact CG-CG2 4.42Å; L43-I188 HydrophobicContact CD1-CD1 4.37Å
44H97.8Very high93.5Very high60 Ų6055.9 Ų55.928%0.27830%0.302SS..EExtended strand (participates in β ladder)trans-110.4127.3175.3177.7-165000108.9I3 I4 I5 E66I3-H44 PolarHBondContact O-N 3.44Å; I4-H44 CarbonylContact C-O 2.95Å; I4-H44 VanDerWaalsContact CA-O 3.31Å; I4-H44 WeakPolarHBondContact CA-O 3.33Å; I4-H44 HydrophobicContact CG1-CB 4.1Å; I5-H44 PolarHBondContact N-O 3.19Å; H44-E66 IonicContact CE1-OE1 2.88Å; H44-E66 IonicContact CE1-OE2 3.28Å; H44-E66 IonicContact ND1-OE1 3.77Å; H44-E66 IonicContact ND1-OE2 3.85Å
45T98.5Very high93.8Very high21 Ų2156.1 Ų56.113%0.12931%0.306CS..EExtended strand (participates in β ladder)trans-111.8133.7-177.560.90000112.2I5 V23 R27 L43I5-T45 HydrophobicContact CG2-CG2 3.7Å; I5-T45 CarbonylContact O-C 3.49Å; I5-T45 WeakPolarHBondContact O-CA 3.47Å; V23-T45 HydrophobicContact CG1-CG2 4.03Å; R27-T45 HydrophobicContact CB-CG2 3.82Å; R27-T45 VanDerWaalsContact CD-OG1 3.3Å; R27-T45 WeakPolarHBondContact CD-OG1 3.24Å; R27-T45 HydrophobicContact CG-CG2 4.4Å; L43-T45 HydrophobicContact CG-CG2 4.42Å
46I98.4Very high94.5Very high43 Ų4352.6 Ų52.622%0.22128%0.284CS..EExtended strand (participates in β ladder)trans-117.292.5170.3-56.3171.5000107.8I4 I5 T6 G7 N48 V49 I63I4-I46 HydrophobicContact CG2-CD1 4.06Å; I4-I46 HydrophobicContact CG2-CG1 4.49Å; I5-I46 PolarHBondContact O-N 3.29Å; T6-I46 CarbonylContact C-O 3.56Å; T6-I46 WeakPolarHBondContact CA-O 3.33Å; T6-I46 HydrophobicContact CG2-CB 4.09Å; T6-I46 HydrophobicContact CG2-CD1 4.31Å; G7-I46 PolarHBondContact N-O 3.1Å; I46-N48 PolarHBondContact O-N 3.06Å; I46-V49 HydrophobicContact CG2-CG2 3.8Å; I46-I63 HydrophobicContact CD1-CD1 3.96Å; I46-I63 HydrophobicContact CD1-CG1 3.8Å
47E96.3Very high95.1Very high31 Ų3147.5 Ų47.515%0.14526%0.257CS..EExtended strand (participates in β ladder)trans-76-28.2-165.2-67.1157.1-176.400113.7G7 S20 V23 N24 R27G7-E47 CarbonylContact C-O 3.45Å; G7-E47 VanDerWaalsContact C-O 3.27Å; G7-E47 CarbonylContact O-C 3.54Å; G7-E47 VanDerWaalsContact O-O 3.14Å; S20-E47 VanDerWaalsContact CA-O 3.28Å; S20-E47 WeakPolarHBondContact CA-O 3.39Å; S20-E47 WeakPolarHBondContact CB-O 3.39Å; S20-E47 PolarHBondContact OG-O 2.82Å; V23-E47 HydrophobicContact CB-CG 4.37Å; V23-E47 HydrophobicContact CG1-CG 3.82Å; N24-E47 WeakPolarHBondContact CA-OE1 3.36Å; N24-E47 HydrophobicContact CB-CG 4.08Å; N24-E47 PolarHBondContact ND2-OE1 3.41Å; N24-E47 VanDerWaalsContact ND2-OE1 3.17Å; N24-E47 PolarHBondContact ND2-OE2 3.41Å; R27-E47 IonicContact CZ-OE1 3.69Å; R27-E47 IonicContact NE-OE1 3.86Å; R27-E47 PolarHBondContact NE-OE1 3.23Å; R27-E47 IonicContact NH2-OE1 2.82Å; R27-E47 PolarHBondContact NH2-OE1 2.93Å; R27-E47 IonicContact NH2-OE2 3.65Å; R27-E47 PolarHBondContact NH2-OE2 2.89Å
48N96Very high95.9Very high102 Ų10251.7 Ų51.755%0.54527%0.27SS..EExtended strand (participates in β ladder)trans-131.468-168-64.5-59.6000111S20 I46 P50S20-N48 WeakPolarHBondContact CB-OD1 3.44Å; S20-N48 PolarHBondContact OG-OD1 3.29Å; I46-N48 PolarHBondContact O-N 3.06Å; N48-P50 VanDerWaalsContact O-CD 3.24Å; N48-P50 WeakPolarHBondContact O-CD 3.47Å
49V98.1Very high96.5Very high2 Ų252 Ų521%0.01227%0.273CS..EExtended strand (participates in β ladder)trans-68.4117.7166.5-176.80000107.6T6 G7 F8 G9 I46 V51 V56 C59 I152T6-V49 HydrophobicContact CG2-CG2 4.49Å; G7-V49 WeakPolarHBondContact O-CB 3.02Å; G7-V49 WeakPolarHBondContact O-CG2 3.33Å; G7-V49 PolarHBondContact O-N 3.02Å; F8-V49 WeakPolarHBondContact CA-O 3.41Å; F8-V49 HydrophobicContact CD1-CB 4.15Å; F8-V49 HydrophobicContact CD1-CG1 4.31Å; F8-V49 WeakPolarHBondContact CD1-O 3.3Å; F8-V49 HydrophobicContact CE1-CB 4.41Å; F8-V49 HydrophobicContact CE1-CG1 4.15Å; G9-V49 PolarHBondContact N-O 3.26Å; I46-V49 HydrophobicContact CG2-CG2 3.8Å; V49-V51 PolarHBondContact O-N 3.03Å; V49-V56 HydrophobicContact CG1-CG2 3.97Å; V49-C59 HydrophobicContact CG1-CB 4.12Å; V49-C59 HydrophobicContact CG2-CB 4.46Å; V49-C59 VanDerWaalsContact CG2-SG 3.59Å; V49-I152 HydrophobicContact CG1-CD1 4.47Å
50P96.9Very high97.2Very high71 Ų7144.6 Ų44.646%0.46123%0.234SC..  trans-58141.5175.9-21.732.5000110.4N48 T52 A55N48-P50 VanDerWaalsContact O-CD 3.24Å; N48-P50 WeakPolarHBondContact O-CD 3.47Å; P50-T52 PolarHBondContact O-N 2.95Å; P50-A55 HydrophobicContact CB-CB 3.72Å; P50-A55 HydrophobicContact CG-CB 3.78Å
51V96.7Very high97.5Very high9 Ų944.3 Ų44.36%0.05522%0.219CC..SBendtrans-82.860.7-176.4-166.20000109.6F8 L10 F11 V49 M99 F147 L148F8-V51 HydrophobicContact CB-CG2 4.07Å; F8-V51 HydrophobicContact CD1-CG2 3.88Å; F8-V51 HydrophobicContact CG-CG2 4.34Å; L10-V51 WeakPolarHBondContact O-CG2 3.28Å; F11-V51 HydrophobicContact CB-CG2 4.18Å; F11-V51 HydrophobicContact CD2-CG1 3.89Å; V49-V51 PolarHBondContact O-N 3.03Å; V51-M99 HydrophobicContact CB-CG 3.69Å; V51-M99 HydrophobicContact CG1-CG 4.27Å; V51-M99 WeakPolarHBondContact O-CG 3.42Å; V51-M99 PolarHBondContact O-N 2.86Å; V51-M99 VanDerWaalsContact O-N 3.12Å; V51-F147 HydrophobicContact CG1-CD1 4.45Å; V51-F147 HydrophobicContact CG1-CE1 3.63Å; V51-F147 HydrophobicContact CG1-CZ 4.28Å; V51-L148 HydrophobicContact CG1-CB 3.95Å; V51-L148 HydrophobicContact CG1-CD2 4.22Å; V51-L148 HydrophobicContact CG1-CG 4.03Å
52T97.1Very high97.7Very high7 Ų746.1 Ų46.14%0.04323%0.234CC..SBendtrans-133.9146.5178.766.20000110.6P50 R54 A55 V56 D98 M99 D100P50-T52 PolarHBondContact O-N 2.95Å; T52-R54 VanDerWaalsContact C-N 3.31Å; T52-R54 PolarHBondContact O-N 3.05Å; T52-A55 PolarHBondContact O-N 3.17Å; T52-A55 WeakPolarHBondContact OG1-CB 3.34Å; T52-A55 PolarHBondContact OG1-N 3.19Å; T52-V56 WeakPolarHBondContact O-CG2 3.16Å; T52-V56 PolarHBondContact O-N 2.86Å; T52-D98 WeakPolarHBondContact CA-OD2 3.24Å; T52-D98 WeakPolarHBondContact CB-OD2 3.23Å; T52-M99 HydrophobicContact CG2-CB 4.31Å; T52-D100 HydrophobicContact CG2-CB 4.16Å
53Y97.8Very high97.8Very high13 Ų1340.8 Ų40.85%0.05121%0.211CC..Hα-helixtrans-60.9-43.9-178.4-66.7-76000111A55 V56 D57 Y94 K96 D98 C104 L148 Y151Y53-A55 PolarHBondContact O-N 3.27Å; Y53-V56 PolarHBondContact O-N 3.22Å; Y53-D57 PolarHBondContact O-N 3.04Å; Y53-Y94 HydrophobicContact CE1-CG 4.45Å; Y53-K96 PolarHBondContact OH-O 3.21Å; Y53-D98 HydrophobicContact CD2-CB 3.8Å; Y53-D98 WeakPolarHBondContact CD2-OD2 3.47Å; Y53-D98 HydrophobicContact CE2-CB 3.83Å; Y53-D98 PolarHBondContact N-OD2 3.16Å; Y53-C104 HydrophobicContact CD1-CB 3.94Å; Y53-C104 HydrophobicContact CD2-CB 4.31Å; Y53-C104 HydrophobicContact CE1-CB 3.56Å; Y53-C104 HydrophobicContact CE2-CB 3.96Å; Y53-C104 HydrophobicContact CG-CB 4.31Å; Y53-L148 HydrophobicContact CD1-CD1 3.42Å; Y53-L148 VanDerWaalsContact CD1-CD1 3.42Å; Y53-L148 HydrophobicContact CE1-CD1 3.66Å; Y53-L148 HydrophobicContact CE1-CD2 4.09Å; Y53-L148 HydrophobicContact CE2-CD2 4.29Å; Y53-L148 HydrophobicContact CG-CD1 3.88Å; Y53-Y151 HydrophobicContact CD1-CD1 4.01Å; Y53-Y151 AromaticContact CD1-CD2 3.8Å; Y53-Y151 HydrophobicContact CD1-CD2 3.8Å; Y53-Y151 HydrophobicContact CD1-CE1 4Å; Y53-Y151 AromaticContact CD1-CE2 3.76Å; Y53-Y151 HydrophobicContact CD1-CE2 3.76Å; Y53-Y151 AromaticContact CD1-CG 3.92Å; Y53-Y151 HydrophobicContact CD1-CG 3.92Å; Y53-Y151 AromaticContact CD1-CZ 3.89Å; Y53-Y151 AromaticContact CE1-CD2 3.82Å; Y53-Y151 HydrophobicContact CE1-CD2 3.82Å; Y53-Y151 HydrophobicContact CE1-CE2 4.13Å; Y53-Y151 HydrophobicContact CE1-CG 4.07Å
54R97.5Very high97.9Very high163 Ų16340.4 Ų40.462%0.61521%0.208SC*.Hα-helixtrans-60-46.2177.9-178.2-179.763.2-158.5-9112.5T52 D57 Q58 D100T52-R54 VanDerWaalsContact C-N 3.31Å; T52-R54 PolarHBondContact O-N 3.05Å; R54-D57 PolarHBondContact O-N 2.97Å; R54-Q58 VanDerWaalsContact O-CG 3.28Å; R54-Q58 WeakPolarHBondContact O-CG 3.43Å; R54-Q58 PolarHBondContact O-N 2.7Å; R54-D100 IonicContact NH2-OD2 2.7Å; R54-D100 PolarHBondContact NH2-OD2 2.75Å
55A98.1Very high97.9Very high14 Ų1446.1 Ų46.112%0.11623%0.231CC..Hα-helixtrans-71.5-34.3-178.400000111.8P50 T52 Y53 Q58 C59P50-A55 HydrophobicContact CB-CB 3.72Å; P50-A55 HydrophobicContact CG-CB 3.78Å; T52-A55 PolarHBondContact O-N 3.17Å; T52-A55 WeakPolarHBondContact OG1-CB 3.34Å; T52-A55 PolarHBondContact OG1-N 3.19Å; Y53-A55 PolarHBondContact O-N 3.27Å; A55-Q58 PolarHBondContact O-N 3.49Å; A55-C59 VanDerWaalsContact O-CB 3.23Å; A55-C59 WeakPolarHBondContact O-CB 3.4Å; A55-C59 PolarHBondContact O-N 2.82Å
56V98.5Very high97.9Very high0 Ų048.4 Ų48.40%024%0.241CC..Hα-helixtrans-61.6-48.1172.2167.90000110.8F8 V49 T52 Y53 Q58 C59 V60 L148 Y151 I152F8-V56 HydrophobicContact CE1-CG2 3.77Å; F8-V56 HydrophobicContact CZ-CG2 4.31Å; V49-V56 HydrophobicContact CG1-CG2 3.97Å; T52-V56 WeakPolarHBondContact O-CG2 3.16Å; T52-V56 PolarHBondContact O-N 2.86Å; Y53-V56 PolarHBondContact O-N 3.22Å; V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 3.15Å; V56-C59 WeakPolarHBondContact O-CB 3.32Å; V56-C59 PolarHBondContact O-N 3.47Å; V56-C59 VanDerWaalsContact O-N 3.15Å; V56-V60 HydrophobicContact CG1-CG2 4.17Å; V56-V60 VanDerWaalsContact O-CG2 3.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.45Å; V56-V60 PolarHBondContact O-N 3.41Å; V56-L148 HydrophobicContact CB-CD1 4.36Å; V56-L148 HydrophobicContact CG2-CB 4.46Å; V56-L148 HydrophobicContact CG2-CD1 3.93Å; V56-L148 HydrophobicContact CG2-CG 4.42Å; V56-Y151 HydrophobicContact CB-CD1 4.32Å; V56-Y151 HydrophobicContact CG1-CD1 3.68Å; V56-Y151 HydrophobicContact CG1-CE1 4.12Å; V56-I152 HydrophobicContact CG1-CB 3.55Å; V56-I152 HydrophobicContact CG1-CD1 4.15Å; V56-I152 HydrophobicContact CG1-CG1 3.71Å; V56-I152 HydrophobicContact CG2-CB 4.48Å
57D98.2Very high97.8Very high38 Ų3851.2 Ų51.220%0.20326%0.256CS..Hα-helixtrans-60.4-42.7177.6-86.31.9000112.5Y53 R54 N61 Y151 R155Y53-D57 PolarHBondContact O-N 3.04Å; R54-D57 PolarHBondContact O-N 2.97Å; D57-N61 VanDerWaalsContact O-CB 3.24Å; D57-N61 WeakPolarHBondContact O-CB 3.44Å; D57-N61 PolarHBondContact O-N 2.82Å; D57-N61 PolarHBondContact O-ND2 2.98Å; D57-Y151 WeakPolarHBondContact OD1-CE1 3.22Å; D57-Y151 PolarHBondContact OD1-OH 3.07Å; D57-R155 IonicContact OD1-CZ 3.94Å; D57-R155 VanDerWaalsContact OD1-CZ 3.25Å; D57-R155 IonicContact OD1-NE 3.55Å; D57-R155 IonicContact OD1-NH1 2.75Å; D57-R155 PolarHBondContact OD1-NH1 2.93Å; D57-R155 IonicContact OD1-NH2 3.82Å; D57-R155 IonicContact OD2-CZ 3.75Å; D57-R155 IonicContact OD2-NH1 2.73Å; D57-R155 PolarHBondContact OD2-NH1 3.43Å; D57-R155 IonicContact OD2-NH2 3.02Å
58Q98.4Very high97.9Very high121 Ų12149.7 Ų49.757%0.56525%0.249SC*.Hα-helixtrans-61.8-43.7174.8-72.9172.6-13.300112R54 A55 V56 S62R54-Q58 VanDerWaalsContact O-CG 3.28Å; R54-Q58 WeakPolarHBondContact O-CG 3.43Å; R54-Q58 PolarHBondContact O-N 2.7Å; A55-Q58 PolarHBondContact O-N 3.49Å; V56-Q58 VanDerWaalsContact C-N 3.34Å; V56-Q58 PolarHBondContact O-N 3.15Å; Q58-S62 WeakPolarHBondContact O-CB 3.23Å; Q58-S62 PolarHBondContact O-N 3.39Å
59C98.7Very high98.1Very high17 Ų1748.1 Ų48.112%0.11524%0.241CC..Hα-helixtrans-62-53.7178.2-176.60000111V49 A55 V56 N61 S62 I63V49-C59 HydrophobicContact CG1-CB 4.12Å; V49-C59 HydrophobicContact CG2-CB 4.46Å; V49-C59 VanDerWaalsContact CG2-SG 3.59Å; A55-C59 VanDerWaalsContact O-CB 3.23Å; A55-C59 WeakPolarHBondContact O-CB 3.4Å; A55-C59 PolarHBondContact O-N 2.82Å; V56-C59 WeakPolarHBondContact O-CB 3.32Å; V56-C59 PolarHBondContact O-N 3.47Å; V56-C59 VanDerWaalsContact O-N 3.15Å; C59-N61 PolarHBondContact O-N 3.29Å; C59-S62 WeakPolarHBondContact O-CB 3.25Å; C59-S62 PolarHBondContact O-N 3.11Å; C59-S62 VanDerWaalsContact O-N 3.09Å; C59-I63 VanDerWaalsContact O-CG1 3.27Å; C59-I63 WeakPolarHBondContact O-CG1 3.47Å; C59-I63 PolarHBondContact O-N 3.39Å
60V98.7Very high98.1Very high1 Ų148 Ų481%0.00624%0.24CC..Hα-helixtrans-56.2-50178.4172.60000110.3V56 S62 I63 W64 I152 R155 Y159V56-V60 HydrophobicContact CG1-CG2 4.17Å; V56-V60 VanDerWaalsContact O-CG2 3.32Å; V56-V60 WeakPolarHBondContact O-CG2 3.45Å; V56-V60 PolarHBondContact O-N 3.41Å; V60-S62 VanDerWaalsContact C-N 3.28Å; V60-S62 PolarHBondContact O-N 3.03Å; V60-I63 PolarHBondContact O-N 2.85Å; V60-W64 PolarHBondContact O-N 3.15Å; V60-I152 HydrophobicContact CG2-CD1 4.39Å; V60-I152 HydrophobicContact CG2-CG1 3.68Å; V60-R155 HydrophobicContact CG1-CB 4.07Å; V60-R155 HydrophobicContact CG2-CB 4.16Å; V60-Y159 HydrophobicContact CG1-CD2 3.93Å; V60-Y159 HydrophobicContact CG1-CE2 3.72Å
61N98.4Very high98.2Very high54 Ų5444.6 Ų44.629%0.28922%0.218SC..Hα-helixtrans-61-35.7178.8-70.8-27.8000112.7D57 C59 K65 Y159D57-N61 VanDerWaalsContact O-CB 3.24Å; D57-N61 WeakPolarHBondContact O-CB 3.44Å; D57-N61 PolarHBondContact O-N 2.82Å; D57-N61 PolarHBondContact O-ND2 2.98Å; C59-N61 PolarHBondContact O-N 3.29Å; N61-K65 WeakPolarHBondContact O-CD 3.3Å; N61-K65 WeakPolarHBondContact O-CG 3.36Å; N61-K65 PolarHBondContact O-N 3.48Å; N61-Y159 PolarHBondContact OD1-OH 3.02Å
62S98.5Very high98.3Very high63 Ų6344.2 Ų44.244%0.44122%0.216SC..Hα-helixtrans-69.7-47175.8-169.50000111.8Q58 C59 V60 W64 K65 E66Q58-S62 WeakPolarHBondContact O-CB 3.23Å; Q58-S62 PolarHBondContact O-N 3.39Å; C59-S62 WeakPolarHBondContact O-CB 3.25Å; C59-S62 PolarHBondContact O-N 3.11Å; C59-S62 VanDerWaalsContact O-N 3.09Å; V60-S62 VanDerWaalsContact C-N 3.28Å; V60-S62 PolarHBondContact O-N 3.03Å; S62-W64 PolarHBondContact O-N 2.89Å; S62-K65 PolarHBondContact O-N 2.79Å; S62-E66 PolarHBondContact O-N 3.49Å
63I98.7Very high98.4Very high0 Ų043.9 Ų43.90%021%0.214CC..Hα-helixtrans-55.9-51.3179.1-71.3173.1000110I4 T6 I46 C59 V60 K65 E66 P68 V71I4-I63 HydrophobicContact CB-CG2 4.48Å; I4-I63 HydrophobicContact CD1-CB 4.43Å; I4-I63 HydrophobicContact CD1-CG1 4.44Å; I4-I63 HydrophobicContact CD1-CG2 3.97Å; I4-I63 HydrophobicContact CG2-CD1 4.09Å; I4-I63 HydrophobicContact CG2-CG1 4.07Å; I4-I63 HydrophobicContact CG2-CG2 4.38Å; T6-I63 HydrophobicContact CG2-CD1 3.64Å; I46-I63 HydrophobicContact CD1-CD1 3.96Å; I46-I63 HydrophobicContact CD1-CG1 3.8Å; C59-I63 VanDerWaalsContact O-CG1 3.27Å; C59-I63 WeakPolarHBondContact O-CG1 3.47Å; C59-I63 PolarHBondContact O-N 3.39Å; V60-I63 PolarHBondContact O-N 2.85Å; I63-K65 VanDerWaalsContact C-N 3.32Å; I63-K65 PolarHBondContact O-N 2.95Å; I63-E66 WeakPolarHBondContact O-CB 3.29Å; I63-E66 PolarHBondContact O-N 3.19Å; I63-P68 HydrophobicContact CG2-CG 3.99Å; I63-P68 WeakPolarHBondContact O-CD 3.43Å; I63-V71 HydrophobicContact CG2-CG1 4.12Å; I63-V71 HydrophobicContact CG2-CG2 3.59Å
64W98.5Very high98.4Very high19 Ų1943.3 Ų43.37%0.07221%0.211CC..Hα-helixtrans-74.6-20.9-174.3-68108.5000113.8V60 S62 E66 N67 P68 V71 S156 Y159 S160 R163 V164V60-W64 PolarHBondContact O-N 3.15Å; S62-W64 PolarHBondContact O-N 2.89Å; W64-E66 VanDerWaalsContact C-N 3.26Å; W64-E66 PolarHBondContact O-N 2.85Å; W64-N67 PolarHBondContact O-N 3.01Å; W64-N67 VanDerWaalsContact O-N 3.14Å; W64-P68 HydrophobicContact CE3-CG 4.47Å; W64-P68 HydrophobicContact CZ3-CG 4.5Å; W64-V71 HydrophobicContact CH2-CB 4.45Å; W64-V71 HydrophobicContact CH2-CG2 3.84Å; W64-V71 HydrophobicContact CZ2-CB 4.25Å; W64-V71 HydrophobicContact CZ2-CG2 3.82Å; W64-V71 HydrophobicContact CZ3-CG2 4.32Å; W64-S156 WeakPolarHBondContact CZ2-O 3.44Å; W64-S156 PolarHBondContact NE1-OG 3.02Å; W64-Y159 HydrophobicContact CB-CD1 3.49Å; W64-Y159 VanDerWaalsContact CB-CD1 3.49Å; W64-Y159 HydrophobicContact CB-CD2 4.25Å; W64-Y159 HydrophobicContact CB-CE1 3.7Å; W64-Y159 HydrophobicContact CB-CE2 4.44Å; W64-Y159 HydrophobicContact CB-CG 3.78Å; W64-Y159 AromaticContact CD1-CD2 3.35Å; W64-Y159 AromaticContact CD1-CE2 3.88Å; W64-Y159 AromaticContact CD1-CG 3.49Å; W64-Y159 VanDerWaalsContact CD1-CG 3.49Å; W64-Y159 VanDerWaalsContact CD2-CB 3.44Å; W64-Y159 HydrophobicContact CD2-CD1 4.29Å; W64-Y159 HydrophobicContact CD2-CD2 4.43Å; W64-Y159 AromaticContact CD2-CG 3.83Å; W64-Y159 HydrophobicContact CD2-CG 3.83Å; W64-Y159 AromaticContact CG-CD1 3.69Å; W64-Y159 HydrophobicContact CG-CD1 3.69Å; W64-Y159 AromaticContact CG-CD2 3.77Å; W64-Y159 HydrophobicContact CG-CD2 3.77Å; W64-Y159 HydrophobicContact CG-CE1 4.25Å; W64-Y159 HydrophobicContact CG-CE2 4.33Å; W64-Y159 AromaticContact CG-CG 3.41Å; W64-Y159 HydrophobicContact CG-CG 3.41Å; W64-Y159 VanDerWaalsContact CG-CG 3.41Å; W64-Y159 AromaticContact NE1-CD2 3.84Å; W64-Y159 AromaticContact NE1-CG 3.97Å; W64-S160 VanDerWaalsContact CZ3-CB 3.48Å; W64-R163 HydrophobicContact CH2-CB 4.22Å; W64-R163 HydrophobicContact CZ3-CB 4.47Å; W64-V164 HydrophobicContact CH2-CB 4.31Å; W64-V164 HydrophobicContact CZ2-CB 4.03Å; W64-V164 HydrophobicContact CZ2-CG1 4.47Å
65K98.2Very high98.4Very high179 Ų17935.5 Ų35.578%0.77818%0.182SC*.Hα-helixtrans-64.8-28.8166.7-78.3170.9-175.3177.70112.8N61 S62 I63 N67N61-K65 WeakPolarHBondContact O-CD 3.3Å; N61-K65 WeakPolarHBondContact O-CG 3.36Å; N61-K65 PolarHBondContact O-N 3.48Å; S62-K65 PolarHBondContact O-N 2.79Å; I63-K65 VanDerWaalsContact C-N 3.32Å; I63-K65 PolarHBondContact O-N 2.95Å; K65-N67 PolarHBondContact O-N 3.04Å
66E97.9Very high98.4Very high70 Ų7036.2 Ų36.233%0.32718%0.183SC..THydrogen-bonded Turntrans-77.1-7.3174.4-63.1-177.3-119.700113.1H2 I4 H44 S62 I63 W64H2-E66 IonicContact CE1-OE2 3.07Å; H2-E66 PolarHBondContact CE1-OE2 3.21Å; H2-E66 VanDerWaalsContact CE1-OE2 3.28Å; H2-E66 IonicContact NE2-OE2 3.66Å; I4-E66 HydrophobicContact CD1-CB 4.32Å; H44-E66 IonicContact CE1-OE1 2.88Å; H44-E66 IonicContact CE1-OE2 3.28Å; H44-E66 IonicContact ND1-OE1 3.77Å; H44-E66 IonicContact ND1-OE2 3.85Å; S62-E66 PolarHBondContact O-N 3.49Å; I63-E66 WeakPolarHBondContact O-CB 3.29Å; I63-E66 PolarHBondContact O-N 3.19Å; W64-E66 VanDerWaalsContact C-N 3.26Å; W64-E66 PolarHBondContact O-N 2.85Å
67N97.6Very high98.2Very high101 Ų10138.3 Ų38.354%0.5419%0.194SC..  trans45.756.6-177-170.833.3000114.1W64 K65 R163W64-N67 PolarHBondContact O-N 3.01Å; W64-N67 VanDerWaalsContact O-N 3.14Å; K65-N67 PolarHBondContact O-N 3.04Å; N67-R163 PolarHBondContact OD1-NH1 3.01Å; N67-R163 PolarHBondContact OD1-NH2 3.39Å; N67-R163 VanDerWaalsContact OD1-NH2 3.14Å
68P98.4Very high97.9Very high0 Ų040.5 Ų40.50%021%0.209CC..  trans-64.4153.7-179.329.6-37.9000112.4I4 I63 W64 L70 V71 R163I4-P68 HydrophobicContact CD1-CB 3.94Å; I4-P68 HydrophobicContact CD1-CG 4.06Å; I4-P68 HydrophobicContact CG1-CB 4.07Å; I63-P68 HydrophobicContact CG2-CG 3.99Å; I63-P68 WeakPolarHBondContact O-CD 3.43Å; W64-P68 HydrophobicContact CE3-CG 4.47Å; W64-P68 HydrophobicContact CZ3-CG 4.5Å; P68-L70 VanDerWaalsContact C-N 3.35Å; P68-V71 HydrophobicContact CB-CG2 4.16Å; P68-V71 HydrophobicContact CG-CG2 3.36Å; P68-R163 PolarHBondContact O-NH1 3.42Å
69D98.5Very high97.6Very high68 Ų6838.5 Ų38.536%0.36421%0.209SC..SBendtrans-76.8-25.7175.3-65.4-63.2000112.3M1 H2 R163 K195M1-D69 VanDerWaalsContact C-OD2 3.3Å; M1-D69 WeakPolarHBondContact CA-OD2 3.44Å; M1-D69 HydrophobicContact CE-CB 4.15Å; M1-D69 HydrophobicContact CG-CB 3.73Å; H2-D69 PolarHBondContact N-OD2 3.35Å; H2-D69 PolarHBondContact O-N 3.24Å; D69-R163 WeakPolarHBondContact O-CD 3.46Å; D69-R163 WeakPolarHBondContact O-CG 3.47Å; D69-K195 WeakPolarHBondContact O-CE 3.46Å
70L98.7Very high97.5Very high0 Ų038.5 Ų38.50%021%0.208CC..EExtended strand (participates in β ladder)trans-152.8132.6178.517961.8000110.6M1 H2 I3 I4 P68 I72 M122 R163 L191 T192M1-L70 HydrophobicContact CE-CB 4.02Å; M1-L70 HydrophobicContact CE-CD2 4.44Å; H2-L70 PolarHBondContact O-N 2.93Å; I3-L70 WeakPolarHBondContact CA-O 3.46Å; I3-L70 HydrophobicContact CG1-CB 4.4Å; I3-L70 HydrophobicContact CG2-CB 4.38Å; I3-L70 HydrophobicContact CG2-CD2 4.27Å; I3-L70 HydrophobicContact CG2-CG 4.36Å; I4-L70 PolarHBondContact N-O 3.19Å; P68-L70 VanDerWaalsContact C-N 3.35Å; L70-I72 HydrophobicContact CD1-CG1 4.42Å; L70-I72 HydrophobicContact CD2-CD1 4.06Å; L70-I72 HydrophobicContact CD2-CG1 4.32Å; L70-I72 HydrophobicContact CG-CD1 4.36Å; L70-I72 HydrophobicContact CG-CG1 4.1Å; L70-M122 HydrophobicContact CD1-CE 3.95Å; L70-M122 HydrophobicContact CD1-SD 3.85Å; L70-R163 CarbonylContact C-O 3.4Å; L70-R163 WeakPolarHBondContact CA-O 3.41Å; L70-L191 HydrophobicContact CD2-CB 3.85Å; L70-T192 HydrophobicContact CD2-CG2 4.12Å
71V98.9Very high97.4Very high0 Ų042.5 Ų42.50%023%0.233CC..EExtended strand (participates in β ladder)trans-115132.3171.8-177.40000109I4 I63 W64 P68 H73 R163 V164 V165I4-V71 CarbonylContact O-C 3.59Å; I4-V71 VanDerWaalsContact O-CA 3.31Å; I4-V71 WeakPolarHBondContact O-CA 3.19Å; I63-V71 HydrophobicContact CG2-CG1 4.12Å; I63-V71 HydrophobicContact CG2-CG2 3.59Å; W64-V71 HydrophobicContact CH2-CB 4.45Å; W64-V71 HydrophobicContact CH2-CG2 3.84Å; W64-V71 HydrophobicContact CZ2-CB 4.25Å; W64-V71 HydrophobicContact CZ2-CG2 3.82Å; W64-V71 HydrophobicContact CZ3-CG2 4.32Å; P68-V71 HydrophobicContact CB-CG2 4.16Å; P68-V71 HydrophobicContact CG-CG2 3.36Å; V71-H73 WeakPolarHBondContact CG1-NE2 3.27Å; V71-R163 PolarHBondContact N-O 3.35Å; V71-V164 HydrophobicContact CB-CB 4.24Å; V71-V164 HydrophobicContact CB-CG2 4.05Å; V71-V164 HydrophobicContact CG1-CG2 4.14Å; V71-V164 VanDerWaalsContact O-CA 3.3Å; V71-V164 WeakPolarHBondContact O-CA 3.49Å; V71-V165 PolarHBondContact O-N 2.89Å
72I98.9Very high97.3Very high1 Ų143 Ų431%0.00523%0.234CC..EExtended strand (participates in β ladder)trans-125.6115.8174.2-56.7169000108I3 I4 I5 T6 L70 V74 V165 V167 I188 L191I3-I72 HydrophobicContact CG2-CD1 4.5Å; I4-I72 PolarHBondContact O-N 2.74Å; I5-I72 CarbonylContact C-O 3.49Å; I5-I72 VanDerWaalsContact CA-O 3.23Å; I5-I72 WeakPolarHBondContact CA-O 3.28Å; I5-I72 HydrophobicContact CB-CB 4.33Å; I5-I72 HydrophobicContact CD1-CB 4.18Å; I5-I72 HydrophobicContact CD1-CG2 4.02Å; I5-I72 HydrophobicContact CG1-CB 3.98Å; I5-I72 HydrophobicContact CG1-CG2 4.16Å; I5-I72 WeakPolarHBondContact CG1-O 3.41Å; T6-I72 PolarHBondContact N-O 3.08Å; L70-I72 HydrophobicContact CD1-CG1 4.42Å; L70-I72 HydrophobicContact CD2-CD1 4.06Å; L70-I72 HydrophobicContact CD2-CG1 4.32Å; L70-I72 HydrophobicContact CG-CD1 4.36Å; L70-I72 HydrophobicContact CG-CG1 4.1Å; I72-V74 HydrophobicContact CG2-CG2 4.21Å; I72-V165 WeakPolarHBondContact CA-O 3.46Å; I72-V167 HydrophobicContact CG2-CG2 4.02Å; I72-I188 HydrophobicContact CD1-CB 4.43Å; I72-I188 HydrophobicContact CD1-CD1 4.39Å; I72-I188 HydrophobicContact CD1-CG1 3.42Å; I72-I188 VanDerWaalsContact CD1-CG1 3.42Å; I72-L191 HydrophobicContact CD1-CD1 3.85Å; I72-L191 HydrophobicContact CG1-CD1 4.07Å
73H98.9Very high97.3Very high0 Ų040 Ų400%021%0.213CC..EExtended strand (participates in β ladder)trans-94.8131.9172.2-66.7-55.7000109.3T6 V71 I152 S156 V165 F166 V167T6-H73 PolarHBondContact OG1-ND1 3.31Å; V71-H73 WeakPolarHBondContact CG1-NE2 3.27Å; H73-I152 HydrophobicContact CB-CG2 4.2Å; H73-I152 WeakPolarHBondContact ND1-CD1 3.19Å; H73-S156 WeakPolarHBondContact NE2-CB 3.34Å; H73-S156 PolarHBondContact NE2-OG 2.91Å; H73-V165 PolarHBondContact N-O 2.71Å; H73-F166 HydrophobicContact CB-CD2 3.35Å; H73-F166 HydrophobicContact CB-CE2 3.71Å; H73-F166 HydrophobicContact CB-CG 4.23Å; H73-F166 CarbonylContact O-C 3.57Å; H73-F166 WeakPolarHBondContact O-CA 3.45Å; H73-V167 PolarHBondContact O-N 3.44Å
74V98.8Very high97.3Very high0 Ų041 Ų410%022%0.218CC..EExtended strand (participates in β ladder)trans-116.2130.5178.5-1700000109.3I5 T6 S19 V23 I72 V167 V169 L184I5-V74 HydrophobicContact CD1-CG2 3.83Å; I5-V74 HydrophobicContact CG1-CG2 3.88Å; T6-V74 WeakPolarHBondContact O-CA 3.2Å; T6-V74 VanDerWaalsContact O-CB 3.24Å; T6-V74 WeakPolarHBondContact O-CB 3.4Å; T6-V74 WeakPolarHBondContact O-CG2 3.39Å; T6-V74 PolarHBondContact O-N 2.9Å; S19-V74 VanDerWaalsContact CB-O 3.26Å; S19-V74 WeakPolarHBondContact CB-O 3.29Å; V23-V74 HydrophobicContact CG2-CB 4.24Å; V23-V74 HydrophobicContact CG2-CG2 4.07Å; I72-V74 HydrophobicContact CG2-CG2 4.21Å; V74-V167 WeakPolarHBondContact CA-O 3.48Å; V74-V169 HydrophobicContact CG1-CB 4.38Å; V74-V169 HydrophobicContact CG1-CG1 3.67Å; V74-V169 HydrophobicContact CG1-CG2 3.78Å; V74-L184 HydrophobicContact CG1-CD1 4.29Å; V74-L184 HydrophobicContact CG1-CD2 4.32Å; V74-L184 HydrophobicContact CG2-CD1 4.17Å; V74-L184 HydrophobicContact CG2-CD2 3.9Å
75G97.9Very high97.3Very high0 Ų040.1 Ų40.10%022%0.215CC..EExtended strand (participates in β ladder)trans-131.5148.4175.100000111.6V167 H168 V169G75-V167 PolarHBondContact N-O 3.23Å; G75-V167 VanDerWaalsContact N-O 3.09Å; G75-H168 CarbonylContact O-C 3.49Å; G75-H168 VanDerWaalsContact O-CA 3.27Å; G75-H168 WeakPolarHBondContact O-CA 3.38Å; G75-V169 PolarHBondContact O-N 2.91Å
76M96.3Very high97.3Very high29 Ų2931.7 Ų31.714%0.14318%0.178CC..EExtended strand (participates in β ladder)trans-81.4131.7174.9179.4177.968.400110.2N17 T78 V169 C171N17-M76 WeakPolarHBondContact OD1-CB 3.44Å; M76-T78 HydrophobicContact CE-CG2 4.12Å; M76-T78 HydrophobicContact SD-CG2 4.47Å; M76-V169 WeakPolarHBondContact CA-O 3.46Å; M76-C171 HydrophobicContact CG-CB 4.38Å; M76-C171 HydrophobicContact SD-CB 3.87Å
77D94.8Very high97.4Very high43 Ų4330.2 Ų30.223%0.2317%0.174CC..EExtended strand (participates in β ladder)trans-117.2117.5164.7-176.2-17.1000108.8S79 V80 H168 V169D77-S79 VanDerWaalsContact CG-OG 3.28Å; D77-S79 PolarHBondContact O-N 3.06Å; D77-S79 WeakPolarHBondContact OD1-CA 3.34Å; D77-S79 VanDerWaalsContact OD1-CB 3.26Å; D77-S79 WeakPolarHBondContact OD1-CB 3.42Å; D77-S79 PolarHBondContact OD1-N 3.25Å; D77-S79 PolarHBondContact OD1-OG 2.85Å; D77-S79 PolarHBondContact OD2-OG 3.25Å; D77-V80 HydrophobicContact CB-CG1 4.04Å; D77-V80 HydrophobicContact CB-CG2 3.9Å; D77-V80 WeakPolarHBondContact O-CG2 3.24Å; D77-V80 WeakPolarHBondContact OD2-CG1 3.45Å; D77-H168 HydrophobicContact CB-CB 4.08Å; D77-V169 PolarHBondContact N-O 3.05Å
78T91.9Very high97.4Very high84 Ų8426 Ų2652%0.51515%0.151SC..THydrogen-bonded Turntrans-72.8-13.6-178.454.40000113.2M76 C171 R174M76-T78 HydrophobicContact CE-CG2 4.12Å; M76-T78 HydrophobicContact SD-CG2 4.47Å; T78-C171 HydrophobicContact CG2-CB 4.48Å; T78-R174 PolarHBondContact O-NH1 3.29Å; T78-R174 PolarHBondContact O-NH2 3.2Å
79S93.1Very high97.4Very high80 Ų8026 Ų2656%0.55915%0.151SC*.THydrogen-bonded Turntrans-87.9-18.3-177.877.50000113.4D77 R174D77-S79 VanDerWaalsContact CG-OG 3.28Å; D77-S79 PolarHBondContact O-N 3.06Å; D77-S79 WeakPolarHBondContact OD1-CA 3.34Å; D77-S79 VanDerWaalsContact OD1-CB 3.26Å; D77-S79 WeakPolarHBondContact OD1-CB 3.42Å; D77-S79 PolarHBondContact OD1-N 3.25Å; D77-S79 PolarHBondContact OD1-OG 2.85Å; D77-S79 PolarHBondContact OD2-OG 3.25Å; S79-R174 PolarHBondContact O-NH1 2.95Å
80V96Very high97.4Very high16 Ų1625.2 Ų25.210%0.09714%0.144CC..  trans-98.2161-174-50.80000112.6D77 I84 P170 R174D77-V80 HydrophobicContact CB-CG1 4.04Å; D77-V80 HydrophobicContact CB-CG2 3.9Å; D77-V80 WeakPolarHBondContact O-CG2 3.24Å; D77-V80 WeakPolarHBondContact OD2-CG1 3.45Å; V80-I84 HydrophobicContact CB-CD1 4.03Å; V80-I84 HydrophobicContact CB-CG1 4.47Å; V80-I84 HydrophobicContact CG1-CD1 3.41Å; V80-I84 VanDerWaalsContact CG1-CD1 3.41Å; V80-I84 HydrophobicContact CG1-CG1 4.27Å; V80-P170 HydrophobicContact CG2-CB 4.45Å; V80-P170 HydrophobicContact CG2-CG 4.18Å; V80-R174 VanDerWaalsContact C-NH1 3.31Å; V80-R174 WeakPolarHBondContact O-CD 3.41Å; V80-R174 PolarHBondContact O-NH1 3.26Å
81T96.1Very high97.4Very high86 Ų8625.8 Ų25.853%0.52815%0.147SC..SBendtrans-120.3-5.918053.40000113.4P170T81-P170 WeakPolarHBondContact O-CG 3.48Å
82M96.8Very high97.4Very high64 Ų6428.8 Ų28.832%0.31517%0.168SC..SBendtrans-142.8162.6174.363.6-170.968.100110.4A137 P170M82-A137 HydrophobicContact CB-CB 4.24Å; M82-A137 HydrophobicContact SD-CB 4.44Å; M82-P170 VanDerWaalsContact N-CG 3.33Å
83P98.3Very high97.3Very high0 Ų030.3 Ų30.30%018%0.184CC..  trans-57.7142.5172.4-26.835.3000113.4A137 C138 S139 V167 H168 M175 I187P83-A137 WeakPolarHBondContact CD-O 3.23Å; P83-C138 HydrophobicContact CB-CB 4.5Å; P83-C138 CarbonylContact O-C 3.27Å; P83-C138 WeakPolarHBondContact O-CA 3.47Å; P83-C138 WeakPolarHBondContact O-CB 3.1Å; P83-S139 PolarHBondContact O-N 3.29Å; P83-V167 HydrophobicContact CB-CG1 4.08Å; P83-H168 CarbonylContact C-O 3.45Å; P83-H168 WeakPolarHBondContact CA-O 3.36Å; P83-M175 HydrophobicContact CG-SD 4.29Å; P83-I187 HydrophobicContact CB-CD1 4.02Å
84I98.6Very high97.2Very high22 Ų2230.4 Ų30.411%0.11318%0.184CC..EExtended strand (participates in β ladder)trans-126125.2179.3-54.1-163.6000108.9V80 S139 V167 H168V80-I84 HydrophobicContact CB-CD1 4.03Å; V80-I84 HydrophobicContact CB-CG1 4.47Å; V80-I84 HydrophobicContact CG1-CD1 3.41Å; V80-I84 VanDerWaalsContact CG1-CD1 3.41Å; V80-I84 HydrophobicContact CG1-CG1 4.27Å; I84-S139 WeakPolarHBondContact CA-O 3.24Å; I84-S139 WeakPolarHBondContact CG1-OG 3.43Å; I84-V167 CarbonylContact O-C 3.49Å; I84-V167 WeakPolarHBondContact O-CA 3.34Å; I84-H168 HydrophobicContact CB-CB 4.2Å; I84-H168 PolarHBondContact N-O 3.27Å; I84-H168 PolarHBondContact O-N 3.46Å
85L98.8Very high97.1Very high0 Ų035.7 Ų35.70%021%0.213CC..EExtended strand (participates in β ladder)trans-89.6118.5172.2-66.277.4000109.3L124 L131 C138 S139 L140 S141 V167 I187L85-L124 HydrophobicContact CB-CD1 4.4Å; L85-L124 HydrophobicContact CD2-CD2 4.33Å; L85-L131 HydrophobicContact CD1-CD1 4.41Å; L85-C138 HydrophobicContact CD1-CB 4.16Å; L85-S139 PolarHBondContact N-O 3.07Å; L85-L140 HydrophobicContact CB-CD2 3.88Å; L85-L140 WeakPolarHBondContact O-CA 3.49Å; L85-S141 PolarHBondContact O-N 2.8Å; L85-V167 HydrophobicContact CG-CG2 4.44Å; L85-I187 HydrophobicContact CD1-CD1 4.23Å; L85-I187 HydrophobicContact CD1-CG1 4.45Å; L85-I187 HydrophobicContact CD2-CG2 4.39Å
86E98.7Very high97Very high2 Ų241.5 Ų41.51%0.00924%0.238CC..EExtended strand (participates in β ladder)trans-82.9129-179.5-59.7-67.1168.400110.5L124 S141 D143 P144 Y153 F166 H168E86-L124 WeakPolarHBondContact O-CD1 3.35Å; E86-S141 WeakPolarHBondContact OE2-CB 3.47Å; E86-S141 PolarHBondContact OE2-OG 3.18Å; E86-D143 VanDerWaalsContact OE2-C 3.29Å; E86-D143 PolarHBondContact OE2-N 3.24Å; E86-P144 HydrophobicContact CB-CB 4.2Å; E86-P144 HydrophobicContact CG-CB 3.83Å; E86-Y153 HydrophobicContact CB-CD1 4.08Å; E86-Y153 HydrophobicContact CB-CE1 3.61Å; E86-Y153 WeakPolarHBondContact O-CE1 3.49Å; E86-Y153 PolarHBondContact O-OH 2.79Å; E86-F166 HydrophobicContact CB-CB 4.14Å; E86-F166 HydrophobicContact CG-CB 4.33Å; E86-F166 HydrophobicContact CG-CD1 3.89Å; E86-F166 PolarHBondContact N-O 3.48Å; E86-H168 IonicContact OE1-CE1 3.72Å; E86-H168 IonicContact OE1-CG 3.27Å; E86-H168 IonicContact OE1-ND1 3.25Å; E86-H168 PolarHBondContact OE1-ND1 2.65Å
87T98.7Very high97Very high38 Ų3842.8 Ų42.823%0.23325%0.249CC..  trans-93.2-15.5-173.6570000113.9C120 L124 L140 S141T87-C120 WeakPolarHBondContact O-CB 3.33Å; T87-C120 PolarHBondContact O-N 3.48Å; T87-L124 HydrophobicContact CG2-CD1 4.19Å; T87-L140 HydrophobicContact CG2-CB 4.35Å; T87-L140 HydrophobicContact CG2-CD2 4.45Å; T87-S141 WeakPolarHBondContact CB-O 3.38Å; T87-S141 PolarHBondContact N-O 3.22Å; T87-S141 PolarHBondContact OG1-O 2.91Å
88L98.7Very high97.1Very high12 Ų1241.3 Ų41.36%0.06324%0.24CC..EExtended strand (participates in β ladder)trans-155.5169.7179.963.477.2000111.3Y90 V117 L118 Y119 N142 P144 Y153L88-Y90 HydrophobicContact CD1-CD2 4.14Å; L88-Y90 HydrophobicContact CD1-CE1 4.17Å; L88-Y90 HydrophobicContact CD1-CE2 3.51Å; L88-V117 HydrophobicContact CB-CG1 4.09Å; L88-V117 HydrophobicContact CD1-CG1 4Å; L88-V117 HydrophobicContact CD2-CG1 4.03Å; L88-V117 HydrophobicContact CG-CG1 4.28Å; L88-L118 CarbonylContact C-O 3.53Å; L88-L118 WeakPolarHBondContact CA-O 3.31Å; L88-L118 VanDerWaalsContact CB-O 3.23Å; L88-L118 WeakPolarHBondContact CB-O 3.35Å; L88-Y119 HydrophobicContact CB-CD1 3.87Å; L88-Y119 HydrophobicContact CB-CE1 4.27Å; L88-Y119 HydrophobicContact CB-CG 4.35Å; L88-Y119 HydrophobicContact CD2-CD1 3.91Å; L88-Y119 HydrophobicContact CD2-CE1 3.49Å; L88-Y119 VanDerWaalsContact CD2-CE1 3.49Å; L88-N142 HydrophobicContact CD1-CB 4.43Å; L88-N142 WeakPolarHBondContact CD1-O 3.28Å; L88-N142 HydrophobicContact CD2-CB 3.87Å; L88-N142 HydrophobicContact CG-CB 3.93Å; L88-P144 VanDerWaalsContact O-CD 3.27Å; L88-P144 WeakPolarHBondContact O-CD 3.42Å; L88-P144 WeakPolarHBondContact O-CG 3.38Å; L88-Y153 WeakPolarHBondContact O-CE1 3.41Å
89S98.8Very high97.1Very high0 Ų041.1 Ų41.10%024%0.235CC..EExtended strand (participates in β ladder)trans-139.5160.7166.8-162.10000112.1V117 L118 G150S89-V117 WeakPolarHBondContact O-CA 3.21Å; S89-L118 PolarHBondContact N-O 2.97Å; S89-L118 PolarHBondContact O-N 3.43Å; S89-G150 PolarHBondContact OG-O 3.18Å
90Y98.7Very high97.2Very high52 Ų5242.4 Ų42.420%0.20424%0.235CC..EExtended strand (participates in β ladder)trans-104.5143.8-176.1-58.5-88.1000111.2L88 S92 Y94 V117 N142 Y154L88-Y90 HydrophobicContact CD1-CD2 4.14Å; L88-Y90 HydrophobicContact CD1-CE1 4.17Å; L88-Y90 HydrophobicContact CD1-CE2 3.51Å; Y90-S92 VanDerWaalsContact C-N 3.33Å; Y90-Y94 WeakPolarHBondContact O-CE2 3.45Å; Y90-Y94 PolarHBondContact O-OH 2.88Å; Y90-V117 HydrophobicContact CD1-CG2 3.82Å; Y90-V117 HydrophobicContact CE1-CG2 4.01Å; Y90-N142 WeakPolarHBondContact CE2-O 3.37Å; Y90-N142 PolarHBondContact OH-O 2.92Å; Y90-Y154 VanDerWaalsContact O-CD2 3.31Å; Y90-Y154 WeakPolarHBondContact O-CD2 3.42Å
91N98.5Very high97.2Very high12 Ų1244 Ų446%0.06426%0.255CS..SBendtrans-74.3-25.6177.7-169.314000112.7Y94 C109 A110 N111 G114 E115 P116 Y154N91-Y94 WeakPolarHBondContact O-CE2 3.26Å; N91-C109 CarbonylContact O-C 3.54Å; N91-C109 VanDerWaalsContact O-CA 3.27Å; N91-C109 WeakPolarHBondContact O-CA 3.28Å; N91-A110 PolarHBondContact O-N 3.24Å; N91-A110 PolarHBondContact OD1-N 3.46Å; N91-N111 PolarHBondContact ND2-O 3.04Å; N91-N111 PolarHBondContact OD1-N 3.32Å; N91-N111 PolarHBondContact OD1-O 2.88Å; N91-G114 PolarHBondContact ND2-O 2.93Å; N91-E115 WeakPolarHBondContact CB-O 3.33Å; N91-P116 PolarHBondContact N-O 2.94Å; N91-Y154 HydrophobicContact CB-CD2 4.3Å; N91-Y154 HydrophobicContact CB-CE1 4.19Å; N91-Y154 HydrophobicContact CB-CE2 3.48Å; N91-Y154 VanDerWaalsContact CB-CE2 3.48Å; N91-Y154 VanDerWaalsContact CB-CZ 3.43Å; N91-Y154 WeakPolarHBondContact CB-OH 3.15Å; N91-Y154 VanDerWaalsContact CG-CZ 3.48Å; N91-Y154 WeakPolarHBondContact OD1-CE1 3.34Å; N91-Y154 PolarHBondContact OD1-OH 3.47Å
92S97.9Very high97.2Very high63 Ų6342.1 Ų42.144%0.44125%0.248SC..BIsolated β-bridgetrans-129.7168.8-169.164.80000113.4Y90 G108Y90-S92 VanDerWaalsContact C-N 3.33Å; S92-G108 WeakPolarHBondContact CA-O 3.39Å
93G97.1Very high97.2Very high34 Ų3446 Ų4635%0.35126%0.26SS..  trans103.15.6179.900000113.9D95 G108 R146G93-D95 PolarHBondContact O-N 3.29Å; G93-G108 PolarHBondContact N-O 2.86Å; G93-R146 WeakPolarHBondContact O-CB 3.38Å
94Y97.7Very high97.2Very high1 Ų146.3 Ų46.30%0.00426%0.262CS..  trans-76.964.2178.3-55.4-68.2000111.3Y53 Y90 N91 C104 G108 A110 R146 F147 G150 Y151Y53-Y94 HydrophobicContact CE1-CG 4.45Å; Y90-Y94 WeakPolarHBondContact O-CE2 3.45Å; Y90-Y94 PolarHBondContact O-OH 2.88Å; N91-Y94 WeakPolarHBondContact O-CE2 3.26Å; Y94-C104 VanDerWaalsContact O-CB 3.31Å; Y94-C104 WeakPolarHBondContact O-CB 3.5Å; Y94-G108 WeakPolarHBondContact CD2-O 3.49Å; Y94-G108 PolarHBondContact N-O 2.86Å; Y94-G108 VanDerWaalsContact N-O 3.14Å; Y94-G108 WeakPolarHBondContact O-CA 3.42Å; Y94-A110 HydrophobicContact CD2-CB 4.35Å; Y94-A110 HydrophobicContact CE2-CB 3.86Å; Y94-R146 VanDerWaalsContact CD1-C 3.45Å; Y94-F147 VanDerWaalsContact CE1-O 3.23Å; Y94-F147 WeakPolarHBondContact CE1-O 3.23Å; Y94-G150 PolarHBondContact OH-O 2.92Å; Y94-Y151 HydrophobicContact CD1-CD2 4.06Å; Y94-Y151 AromaticContact CD2-CD2 3.72Å; Y94-Y151 HydrophobicContact CD2-CD2 3.72Å; Y94-Y151 HydrophobicContact CD2-CE2 4.34Å; Y94-Y151 HydrophobicContact CE1-CD2 4.16Å; Y94-Y151 HydrophobicContact CE1-CG 4.42Å; Y94-Y151 VanDerWaalsContact CE1-N 3.34Å; Y94-Y151 AromaticContact CE2-CD2 3.81Å; Y94-Y151 HydrophobicContact CE2-CD2 3.81Å; Y94-Y151 AromaticContact CG-CD2 3.85Å; Y94-Y151 HydrophobicContact CG-CD2 3.85Å; Y94-Y151 WeakPolarHBondContact OH-CA 3.27Å; Y94-Y151 PolarHBondContact OH-N 2.85Å
95D95.7Very high96.9Very high112 Ų11252.4 Ų52.460%0.59929%0.29SS*.  trans-97.24.6-170.667.7-5.8000114.1G93 Y103G93-D95 PolarHBondContact O-N 3.29Å; D95-Y103 WeakPolarHBondContact O-CE1 3.47Å
96K95.6Very high96.7Very high122 Ų12256 Ų5653%0.5331%0.31SS..SBendtrans-100.3142.3179.5-59.2-179.3-173174.10111.1Y53 F147Y53-K96 PolarHBondContact OH-O 3.21Å; K96-F147 HydrophobicContact CB-CD2 3.92Å; K96-F147 HydrophobicContact CB-CE2 3.95Å
97P96.4Very high96.5Very high56 Ų5664.2 Ų64.236%0.36435%0.353SS..  trans-65.3143.3170.529.3-33.1000109.7A102 Y103 F147P97-A102 CarbonylContact C-O 3.54Å; P97-A102 WeakPolarHBondContact CA-O 3.21Å; P97-Y103 HydrophobicContact CB-CD2 4.28Å; P97-Y103 HydrophobicContact CB-CE2 3.87Å; P97-Y103 HydrophobicContact CG-CE2 4.44Å; P97-F147 WeakPolarHBondContact O-CE2 3.15Å
98D96Very high96.3Very high11 Ų1162.6 Ų62.66%0.05935%0.345CS..  trans-79.1-172.117474.311.6000112.2T52 Y53 D100 G101 A102 L148T52-D98 WeakPolarHBondContact CA-OD2 3.24Å; T52-D98 WeakPolarHBondContact CB-OD2 3.23Å; Y53-D98 HydrophobicContact CD2-CB 3.8Å; Y53-D98 WeakPolarHBondContact CD2-OD2 3.47Å; Y53-D98 HydrophobicContact CE2-CB 3.83Å; Y53-D98 PolarHBondContact N-OD2 3.16Å; D98-D100 PolarHBondContact O-N 3.15Å; D98-D100 WeakPolarHBondContact OD1-CA 3.47Å; D98-D100 PolarHBondContact OD1-N 2.9Å; D98-G101 PolarHBondContact O-N 3.47Å; D98-G101 PolarHBondContact OD1-N 3.1Å; D98-A102 PolarHBondContact N-O 2.98Å; D98-A102 PolarHBondContact OD1-N 3.11Å; D98-L148 HydrophobicContact CB-CD2 4.12Å
99M93.5Very high96.3Very high81 Ų8163.7 Ų63.740%0.39935%0.353SS..THydrogen-bonded Turntrans-67.6-14.9-177.3-67-56-59.700114.6F11 G12 V51 T52F11-M99 HydrophobicContact CD2-CG 4.32Å; F11-M99 HydrophobicContact CD2-SD 3.63Å; F11-M99 HydrophobicContact CE2-SD 4.16Å; G12-M99 PolarHBondContact N-SD 3.3Å; V51-M99 HydrophobicContact CB-CG 3.69Å; V51-M99 HydrophobicContact CG1-CG 4.27Å; V51-M99 WeakPolarHBondContact O-CG 3.42Å; V51-M99 PolarHBondContact O-N 2.86Å; V51-M99 VanDerWaalsContact O-N 3.12Å; T52-M99 HydrophobicContact CG2-CB 4.31Å
100D94.4Very high96.2Very high107 Ų10763.9 Ų63.957%0.57235%0.354SS*.THydrogen-bonded Turntrans-96.73.1172.9-72.4-6.5000111.6T52 R54 D98 A102T52-D100 HydrophobicContact CG2-CB 4.16Å; R54-D100 IonicContact NH2-OD2 2.7Å; R54-D100 PolarHBondContact NH2-OD2 2.75Å; D98-D100 PolarHBondContact O-N 3.15Å; D98-D100 WeakPolarHBondContact OD1-CA 3.47Å; D98-D100 PolarHBondContact OD1-N 2.9Å; D100-A102 VanDerWaalsContact C-N 3.26Å; D100-A102 PolarHBondContact O-N 2.78Å
101G95.5Very high96.1Very high49 Ų4963.8 Ų63.851%0.50536%0.357SS..SBendtrans79.35.6-174.900000113.9D98D98-G101 PolarHBondContact O-N 3.47Å; D98-G101 PolarHBondContact OD1-N 3.1Å
102A96.6Very high96Very high46 Ų4668 Ų6838%0.3838%0.379SS..PPolyproline II helixtrans-83.2140.9-179.500000110.8P97 D98 D100P97-A102 CarbonylContact C-O 3.54Å; P97-A102 WeakPolarHBondContact CA-O 3.21Å; D98-A102 PolarHBondContact N-O 2.98Å; D98-A102 PolarHBondContact OD1-N 3.11Å; D100-A102 VanDerWaalsContact C-N 3.26Å; D100-A102 PolarHBondContact O-N 2.78Å
103Y97.3Very high95.9Very high145 Ų14572.6 Ų72.657%0.56939%0.393SS*.PPolyproline II helixtrans-88.7155173.1-75-100.9000110.2D95 P97 E105D95-Y103 WeakPolarHBondContact O-CE1 3.47Å; P97-Y103 HydrophobicContact CB-CD2 4.28Å; P97-Y103 HydrophobicContact CB-CE2 3.87Å; P97-Y103 HydrophobicContact CG-CE2 4.44Å; Y103-E105 PolarHBondContact O-N 3.05Å
104C97.3Very high95.9Very high8 Ų871.9 Ų71.95%0.05439%0.385CS..PPolyproline II helixtrans-55.3131.1166.3-178.90000108.1Y53 Y94Y53-C104 HydrophobicContact CD1-CB 3.94Å; Y53-C104 HydrophobicContact CD2-CB 4.31Å; Y53-C104 HydrophobicContact CE1-CB 3.56Å; Y53-C104 HydrophobicContact CE2-CB 3.96Å; Y53-C104 HydrophobicContact CG-CB 4.31Å; Y94-C104 VanDerWaalsContact O-CB 3.31Å; Y94-C104 WeakPolarHBondContact O-CB 3.5Å
105E94Very high95.9Very high150 Ų15078 Ų7870%0.70141%0.414SS*.Hα-helixtrans-59.4176.3172.1-63.5-174.3174.800110.4Y103 N107 G108Y103-E105 PolarHBondContact O-N 3.05Å; E105-N107 PolarHBondContact O-N 2.98Å; E105-N107 VanDerWaalsContact O-N 3.15Å; E105-G108 PolarHBondContact O-N 3.3Å
106N93.4Very high96.1Very high76 Ų7676.8 Ų76.841%0.40641%0.412SS..Hα-helixtrans58.134.5171.5-58.5-41.1000114.1G108 C109 I112N106-G108 VanDerWaalsContact C-N 3.33Å; N106-G108 PolarHBondContact O-N 3.47Å; N106-C109 HydrophobicContact CB-CB 4.32Å; N106-C109 WeakPolarHBondContact O-CB 3.23Å; N106-C109 PolarHBondContact O-N 3.49Å; N106-I112 HydrophobicContact CB-CG2 3.38Å; N106-I112 WeakPolarHBondContact OD1-CG2 3.35Å
107N93.7Very high96.2Very high173 Ų17372.8 Ų72.893%0.92540%0.398SS*.Hα-helixtrans56.341.2-178.5-60.6-29000113.7E105E105-N107 PolarHBondContact O-N 2.98Å; E105-N107 VanDerWaalsContact O-N 3.15Å
108G96.4Very high96.3Very high5 Ų571.8 Ų71.85%0.05239%0.389CS..Hα-helixtrans82.216.7177.200000114.5S92 G93 Y94 E105 N106S92-G108 WeakPolarHBondContact CA-O 3.39Å; G93-G108 PolarHBondContact N-O 2.86Å; Y94-G108 WeakPolarHBondContact CD2-O 3.49Å; Y94-G108 PolarHBondContact N-O 2.86Å; Y94-G108 VanDerWaalsContact N-O 3.14Å; Y94-G108 WeakPolarHBondContact O-CA 3.42Å; E105-G108 PolarHBondContact O-N 3.3Å; N106-G108 VanDerWaalsContact C-N 3.33Å; N106-G108 PolarHBondContact O-N 3.47Å
109C97.5Very high96.4Very high35 Ų3578 Ų7824%0.23641%0.413CS..BIsolated β-bridgetrans-101.8131.5172.2-67.50000110.8N91 N106 N111N91-C109 CarbonylContact O-C 3.54Å; N91-C109 VanDerWaalsContact O-CA 3.27Å; N91-C109 WeakPolarHBondContact O-CA 3.28Å; N106-C109 HydrophobicContact CB-CB 4.32Å; N106-C109 WeakPolarHBondContact O-CB 3.23Å; N106-C109 PolarHBondContact O-N 3.49Å; C109-N111 VanDerWaalsContact C-N 3.32Å; C109-N111 PolarHBondContact O-N 3.44Å
110A97.6Very high96.7Very high3 Ų374.9 Ų74.93%0.02540%0.399CS..SBendtrans-64.7-37.3175.100000112.1N91 Y94 Y151 Y154 R155N91-A110 PolarHBondContact O-N 3.24Å; N91-A110 PolarHBondContact OD1-N 3.46Å; Y94-A110 HydrophobicContact CD2-CB 4.35Å; Y94-A110 HydrophobicContact CE2-CB 3.86Å; A110-Y151 HydrophobicContact CB-CD2 3.93Å; A110-Y151 HydrophobicContact CB-CE2 3.68Å; A110-Y154 HydrophobicContact CB-CD1 3.45Å; A110-Y154 VanDerWaalsContact CB-CD1 3.45Å; A110-Y154 HydrophobicContact CB-CE1 3.87Å; A110-Y154 HydrophobicContact CB-CG 4.18Å; A110-R155 PolarHBondContact O-NH1 3.28Å
111N96.8Very high96.9Very high50 Ų5074.3 Ų74.327%0.26740%0.396SS..  trans-144122.7172.4-179.3-11.2000110.8N91 C109 H113 G114 Y154 E158N91-N111 PolarHBondContact ND2-O 3.04Å; N91-N111 PolarHBondContact OD1-N 3.32Å; N91-N111 PolarHBondContact OD1-O 2.88Å; C109-N111 VanDerWaalsContact C-N 3.32Å; C109-N111 PolarHBondContact O-N 3.44Å; N111-H113 PolarHBondContact O-N 3.46Å; N111-H113 VanDerWaalsContact O-N 3.1Å; N111-H113 PolarHBondContact OD1-N 2.87Å; N111-G114 PolarHBondContact O-N 2.85Å; N111-G114 PolarHBondContact OD1-N 2.62Å; N111-Y154 HydrophobicContact CB-CE1 4.34Å; N111-E158 WeakPolarHBondContact CB-OE1 3.41Å; N111-E158 PolarHBondContact ND2-OE1 3.49Å
112I96.1Very high97Very high100 Ų10072.9 Ų72.951%0.51338%0.376SS..THydrogen-bonded Turntrans-60.4-20.6179.153.5169.5000114.6N106N106-I112 HydrophobicContact CB-CG2 3.38Å; N106-I112 WeakPolarHBondContact OD1-CG2 3.35Å
113H96.2Very high97Very high161 Ų16175 Ų7575%0.74538%0.381SS*.THydrogen-bonded Turntrans-117.28.5179.3-56.3-44.9000112N111N111-H113 PolarHBondContact O-N 3.46Å; N111-H113 VanDerWaalsContact O-N 3.1Å; N111-H113 PolarHBondContact OD1-N 2.87Å
114G96.6Very high97.1Very high18 Ų1868.4 Ų68.419%0.18636%0.356CS..SBendtrans-79.6151.5-178.600000113N91 N111 Y154N91-G114 PolarHBondContact ND2-O 2.93Å; N111-G114 PolarHBondContact O-N 2.85Å; N111-G114 PolarHBondContact OD1-N 2.62Å; G114-Y154 WeakPolarHBondContact CA-OH 3.33Å
115E98.1Very high97.1Very high130 Ų13071.2 Ų71.261%0.60738%0.376SS*.  trans-59.2139.1173.3-69.8-61.4152.600110.9N91 V117 L118 Y154N91-E115 WeakPolarHBondContact CB-O 3.33Å; E115-V117 PolarHBondContact O-N 3.49Å; E115-L118 HydrophobicContact CB-CD2 3.95Å; E115-L118 HydrophobicContact CG-CD2 4.46Å; E115-Y154 PolarHBondContact N-OH 3.31Å; E115-Y154 WeakPolarHBondContact O-CE2 3.35Å; E115-Y154 PolarHBondContact O-OH 2.93Å
116P98.1Very high97.3Very high86 Ų8669.7 Ų69.756%0.55837%0.367SS*.SBendtrans-55.8-32.2-176-26.934.5000114.3N91N91-P116 PolarHBondContact N-O 2.94Å
117V98.7Very high97.5Very high39 Ų3966.1 Ų66.124%0.23635%0.348CS..EExtended strand (participates in β ladder)trans-138.3133.9179.8-177.20000108.7L88 S89 Y90 E115 Y119L88-V117 HydrophobicContact CB-CG1 4.09Å; L88-V117 HydrophobicContact CD1-CG1 4Å; L88-V117 HydrophobicContact CD2-CG1 4.03Å; L88-V117 HydrophobicContact CG-CG1 4.28Å; S89-V117 WeakPolarHBondContact O-CA 3.21Å; Y90-V117 HydrophobicContact CD1-CG2 3.82Å; Y90-V117 HydrophobicContact CE1-CG2 4.01Å; E115-V117 PolarHBondContact O-N 3.49Å; V117-Y119 HydrophobicContact CB-CE2 4.29Å; V117-Y119 HydrophobicContact CG1-CD2 4.3Å; V117-Y119 HydrophobicContact CG1-CE1 4.37Å; V117-Y119 HydrophobicContact CG1-CE2 3.8Å
118L98.8Very high97.7Very high34 Ų3461.7 Ų61.718%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-113.7136169.7-66.6177.1000109.5L88 S89 E115 Y154 L157 E158L88-L118 CarbonylContact C-O 3.53Å; L88-L118 WeakPolarHBondContact CA-O 3.31Å; L88-L118 VanDerWaalsContact CB-O 3.23Å; L88-L118 WeakPolarHBondContact CB-O 3.35Å; S89-L118 PolarHBondContact N-O 2.97Å; S89-L118 PolarHBondContact O-N 3.43Å; E115-L118 HydrophobicContact CB-CD2 3.95Å; E115-L118 HydrophobicContact CG-CD2 4.46Å; L118-Y154 HydrophobicContact CB-CD2 4.4Å; L118-Y154 HydrophobicContact CB-CE2 4.27Å; L118-Y154 HydrophobicContact CD1-CD1 4.45Å; L118-Y154 HydrophobicContact CD1-CD2 4.02Å; L118-Y154 HydrophobicContact CD1-CE1 4.14Å; L118-Y154 HydrophobicContact CD1-CE2 3.68Å; L118-Y154 HydrophobicContact CD1-CG 4.39Å; L118-Y154 HydrophobicContact CG-CD2 4.18Å; L118-Y154 HydrophobicContact CG-CE2 3.65Å; L118-L157 HydrophobicContact CB-CB 3.86Å; L118-L157 HydrophobicContact CB-CD1 3.91Å; L118-L157 HydrophobicContact CB-CG 4.45Å; L118-L157 HydrophobicContact CD1-CB 3.83Å; L118-E158 HydrophobicContact CD1-CB 4.42Å; L118-E158 HydrophobicContact CD1-CG 3.63Å
119Y98.7Very high97.8Very high141 Ų14164.3 Ų64.355%0.55334%0.336SS*.EExtended strand (participates in β ladder)trans-103145.5180-63-94.7000110.5L88 V117 N121 P161L88-Y119 HydrophobicContact CB-CD1 3.87Å; L88-Y119 HydrophobicContact CB-CE1 4.27Å; L88-Y119 HydrophobicContact CB-CG 4.35Å; L88-Y119 HydrophobicContact CD2-CD1 3.91Å; L88-Y119 HydrophobicContact CD2-CE1 3.49Å; L88-Y119 VanDerWaalsContact CD2-CE1 3.49Å; V117-Y119 HydrophobicContact CB-CE2 4.29Å; V117-Y119 HydrophobicContact CG1-CD2 4.3Å; V117-Y119 HydrophobicContact CG1-CE1 4.37Å; V117-Y119 HydrophobicContact CG1-CE2 3.8Å; Y119-N121 PolarHBondContact O-N 2.81Å; Y119-P161 WeakPolarHBondContact O-CB 3.23Å
120C98.5Very high97.8Very high17 Ų1767.2 Ų67.212%0.11535%0.345CS..  trans-71.8123.7165.7-172.20000109.3T87 M122 L124 Y153 L157 V164T87-C120 WeakPolarHBondContact O-CB 3.33Å; T87-C120 PolarHBondContact O-N 3.48Å; C120-M122 VanDerWaalsContact C-N 3.3Å; C120-L124 HydrophobicContact CB-CD1 4.14Å; C120-Y153 VanDerWaalsContact CB-OH 3.29Å; C120-Y153 WeakPolarHBondContact CB-OH 3.33Å; C120-L157 HydrophobicContact CB-CD2 4.45Å; C120-V164 PolarHBondContact SG-O 3.42Å
121N98.4Very high97.7Very high95 Ų9567 Ų6751%0.50834%0.344SS..  trans-83.1-9.8177.8-73.2-8.1000112.7Y119 P161 D162Y119-N121 PolarHBondContact O-N 2.81Å; N121-P161 HydrophobicContact CB-CB 4.38Å; N121-P161 PolarHBondContact N-O 3.15Å; N121-D162 WeakPolarHBondContact CB-OD1 3.21Å; N121-D162 PolarHBondContact ND2-OD1 3.14Å
122M98.1Very high97.7Very high18 Ų1867.7 Ų67.79%0.08935%0.349CS..SBendtrans-68143.2174.1-60.7-174.863.300110.2L70 C120 L124 D162 V165 L191 L194 K195L70-M122 HydrophobicContact CD1-CE 3.95Å; L70-M122 HydrophobicContact CD1-SD 3.85Å; C120-M122 VanDerWaalsContact C-N 3.3Å; M122-L124 HydrophobicContact CB-CD2 3.98Å; M122-L124 PolarHBondContact O-N 2.62Å; M122-D162 WeakPolarHBondContact CG-O 3.27Å; M122-V165 HydrophobicContact CE-CG2 4.45Å; M122-V165 HydrophobicContact SD-CG2 3.65Å; M122-L191 HydrophobicContact CE-CB 4.14Å; M122-L191 HydrophobicContact CE-CD2 3.86Å; M122-L194 HydrophobicContact CE-CD1 4.43Å; M122-K195 HydrophobicContact CE-CD 4.46Å; M122-K195 HydrophobicContact CE-CG 4.4Å
123N97.8Very high97.7Very high91 Ų9167.8 Ų67.849%0.48735%0.351SS..  trans-75.871.3178.9-168.8-19.8000111.3S125 K126 A127 L194N123-S125 PolarHBondContact O-N 2.78Å; N123-K126 HydrophobicContact CB-CB 4.15Å; N123-K126 VanDerWaalsContact CG-CB 3.48Å; N123-K126 WeakPolarHBondContact O-CB 3.32Å; N123-K126 PolarHBondContact O-N 2.99Å; N123-K126 WeakPolarHBondContact OD1-CB 3.39Å; N123-K126 PolarHBondContact OD1-N 3.4Å; N123-A127 PolarHBondContact O-N 2.82Å; N123-L194 HydrophobicContact CB-CD1 4.44Å; N123-L194 WeakPolarHBondContact O-CD1 3.2Å
124L98.3Very high97.6Very high6 Ų663.4 Ų63.43%0.03133%0.333CS..Hα-helixtrans-62.6-29.9-177.6-59.2-171.2000112L85 E86 T87 C120 M122 K126 A127 Y128 L140 V165 L191L85-L124 HydrophobicContact CB-CD1 4.4Å; L85-L124 HydrophobicContact CD2-CD2 4.33Å; E86-L124 WeakPolarHBondContact O-CD1 3.35Å; T87-L124 HydrophobicContact CG2-CD1 4.19Å; C120-L124 HydrophobicContact CB-CD1 4.14Å; M122-L124 HydrophobicContact CB-CD2 3.98Å; M122-L124 PolarHBondContact O-N 2.62Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.07Å; L124-A127 PolarHBondContact O-N 2.87Å; L124-Y128 VanDerWaalsContact O-CB 3.22Å; L124-Y128 WeakPolarHBondContact O-CB 3.44Å; L124-Y128 PolarHBondContact O-N 2.88Å; L124-L140 HydrophobicContact CB-CD2 4.09Å; L124-V165 HydrophobicContact CD1-CG1 4.17Å; L124-V165 HydrophobicContact CD2-CG1 4.1Å; L124-V165 HydrophobicContact CD2-CG2 3.74Å; L124-L191 HydrophobicContact CD2-CD2 3.76Å
125S97.9Very high97.5Very high68 Ų6870.9 Ų70.948%0.47636%0.362SS..Hα-helixtrans-60.3-41.2172.2-55.70000112.3N123 Y128 S129N123-S125 PolarHBondContact O-N 2.78Å; S125-Y128 PolarHBondContact O-N 3.42Å; S125-S129 PolarHBondContact O-N 2.96Å; S125-S129 PolarHBondContact O-OG 3.34Å; S125-S129 VanDerWaalsContact O-OG 3.09Å
126K98Very high97.3Very high118 Ų11866.2 Ų66.251%0.51334%0.342SS..Hα-helixtrans-66.9-42.8175.5-179.4176.1174.2-1750112N123 L124 S129 K130 L194N123-K126 HydrophobicContact CB-CB 4.15Å; N123-K126 VanDerWaalsContact CG-CB 3.48Å; N123-K126 WeakPolarHBondContact O-CB 3.32Å; N123-K126 PolarHBondContact O-N 2.99Å; N123-K126 WeakPolarHBondContact OD1-CB 3.39Å; N123-K126 PolarHBondContact OD1-N 3.4Å; L124-K126 VanDerWaalsContact C-N 3.33Å; L124-K126 PolarHBondContact O-N 3.07Å; K126-S129 PolarHBondContact O-N 2.91Å; K126-K130 PolarHBondContact O-N 3.09Å; K126-K130 VanDerWaalsContact O-N 3.15Å; K126-L194 HydrophobicContact CB-CD2 4.13Å; K126-L194 HydrophobicContact CD-CD2 3.65Å; K126-L194 HydrophobicContact CG-CD2 3.91Å
127A97.6Very high97.1Very high1 Ų164.7 Ų64.71%0.00834%0.336CS..Hα-helixtrans-62.5-46.3175.200000111.2N123 L124 S129 K130 L131 E190 L191 L194N123-A127 PolarHBondContact O-N 2.82Å; L124-A127 PolarHBondContact O-N 2.87Å; A127-S129 PolarHBondContact O-N 2.87Å; A127-K130 PolarHBondContact O-N 2.99Å; A127-K130 VanDerWaalsContact O-N 3.16Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.44Å; A127-E190 HydrophobicContact CB-CB 4.05Å; A127-L191 HydrophobicContact CB-CD2 4.28Å; A127-L194 HydrophobicContact CB-CD1 4.07Å
128Y98.1Very high97.1Very high80 Ų8063.2 Ų63.231%0.31433%0.327SS..Hα-helixtrans-55.8-49.6174.9166.1-102.1000112.1L124 S125 K130 L131 V132 C138 L140L124-Y128 VanDerWaalsContact O-CB 3.22Å; L124-Y128 WeakPolarHBondContact O-CB 3.44Å; L124-Y128 PolarHBondContact O-N 2.88Å; S125-Y128 PolarHBondContact O-N 3.42Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 2.86Å; Y128-L131 PolarHBondContact O-N 3.35Å; Y128-L131 VanDerWaalsContact O-N 3.16Å; Y128-V132 HydrophobicContact CD2-CG2 3.99Å; Y128-V132 HydrophobicContact CE1-CG2 4.22Å; Y128-V132 HydrophobicContact CE2-CG2 3.48Å; Y128-V132 VanDerWaalsContact CE2-CG2 3.48Å; Y128-V132 WeakPolarHBondContact O-CG2 3.41Å; Y128-V132 PolarHBondContact O-N 2.88Å; Y128-C138 WeakPolarHBondContact CE2-O 3.32Å; Y128-L140 HydrophobicContact CD1-CD1 4.38Å; Y128-L140 HydrophobicContact CD1-CG 4.49Å; Y128-L140 HydrophobicContact CD2-CG 4.29Å; Y128-L140 HydrophobicContact CG-CD1 4.29Å; Y128-L140 HydrophobicContact CG-CD2 4.33Å; Y128-L140 HydrophobicContact CG-CG 4.01Å
129S98Very high97Very high59 Ų5963.2 Ų63.241%0.41333%0.33SS..Hα-helixtrans-56.8-42.3176.8-650000111.8S125 K126 A127 V132 D133S125-S129 PolarHBondContact O-N 2.96Å; S125-S129 PolarHBondContact O-OG 3.34Å; S125-S129 VanDerWaalsContact O-OG 3.09Å; K126-S129 PolarHBondContact O-N 2.91Å; A127-S129 PolarHBondContact O-N 2.87Å; S129-V132 PolarHBondContact O-N 2.94Å; S129-D133 WeakPolarHBondContact O-CB 3.43Å; S129-D133 PolarHBondContact O-N 3.49Å
130K97.2Very high97Very high96 Ų9659.3 Ų59.342%0.41732%0.319SS..Hα-helixtrans-67.5-38177.2-71.4-64.8177.6-163.10113.7K126 A127 Y128 N134 E190K126-K130 PolarHBondContact O-N 3.09Å; K126-K130 VanDerWaalsContact O-N 3.15Å; A127-K130 PolarHBondContact O-N 2.99Å; A127-K130 VanDerWaalsContact O-N 3.16Å; Y128-K130 VanDerWaalsContact C-N 3.27Å; Y128-K130 PolarHBondContact O-N 2.86Å; K130-N134 WeakPolarHBondContact O-CB 3.29Å; K130-N134 VanDerWaalsContact O-CG 3.3Å; K130-N134 PolarHBondContact O-N 3.25Å; K130-N134 VanDerWaalsContact O-N 3.11Å; K130-N134 PolarHBondContact O-ND2 3.25Å; K130-N134 VanDerWaalsContact O-ND2 3.1Å; K130-E190 HydrophobicContact CB-CG 4.09Å; K130-E190 VanDerWaalsContact CB-OE2 3.24Å; K130-E190 WeakPolarHBondContact CB-OE2 3.41Å
131L96.9Very high97Very high0 Ų059.9 Ų59.90%032%0.323CS..Hα-helixtrans-62.8-45.7174.4-70.1166.1000111L85 A127 Y128 N134 H135 I136 Q186 I187 E190L85-L131 HydrophobicContact CD1-CD1 4.41Å; A127-L131 WeakPolarHBondContact O-CG 3.36Å; A127-L131 PolarHBondContact O-N 3.44Å; Y128-L131 PolarHBondContact O-N 3.35Å; Y128-L131 VanDerWaalsContact O-N 3.16Å; L131-N134 CarbonylContact O-C 3.49Å; L131-N134 PolarHBondContact O-N 2.82Å; L131-H135 PolarHBondContact O-N 3.2Å; L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CD2-CB 4.17Å; L131-I136 HydrophobicContact CD2-CG1 4.36Å; L131-I136 HydrophobicContact CD2-CG2 4.15Å; L131-I136 WeakPolarHBondContact O-CB 3.2Å; L131-I136 PolarHBondContact O-N 2.92Å; L131-Q186 HydrophobicContact CD2-CB 3.81Å; L131-I187 HydrophobicContact CD1-CG1 3.73Å; L131-I187 HydrophobicContact CD2-CG1 4.25Å; L131-E190 HydrophobicContact CD2-CG 3.84Å; L131-E190 HydrophobicContact CG-CB 4.5Å; L131-E190 HydrophobicContact CG-CG 3.96Å
132V96Very high97Very high63 Ų6359.8 Ų59.838%0.38232%0.322SS..Hα-helixtrans-64.9-44177.7172.70000111.9Y128 S129 N134 H135Y128-V132 HydrophobicContact CD2-CG2 3.99Å; Y128-V132 HydrophobicContact CE1-CG2 4.22Å; Y128-V132 HydrophobicContact CE2-CG2 3.48Å; Y128-V132 VanDerWaalsContact CE2-CG2 3.48Å; Y128-V132 WeakPolarHBondContact O-CG2 3.41Å; Y128-V132 PolarHBondContact O-N 2.88Å; S129-V132 PolarHBondContact O-N 2.94Å; V132-N134 PolarHBondContact O-N 3.45Å; V132-H135 PolarHBondContact O-N 3.32Å
133D96.2Very high97Very high102 Ų10261.9 Ų61.955%0.54533%0.334SS..Hα-helixtrans-56.5-34174.7-72.9-13.6000111.5S129 H135S129-D133 WeakPolarHBondContact O-CB 3.43Å; S129-D133 PolarHBondContact O-N 3.49Å; D133-H135 VanDerWaalsContact C-N 3.3Å; D133-H135 PolarHBondContact O-N 3.04Å
134N93.3Very high97Very high69 Ų6957.7 Ų57.737%0.36931%0.311SS..THydrogen-bonded Turntrans-9015.9177.3-66.6-32.4000113.5K130 L131 V132 I136 Y201K130-N134 WeakPolarHBondContact O-CB 3.29Å; K130-N134 VanDerWaalsContact O-CG 3.3Å; K130-N134 PolarHBondContact O-N 3.25Å; K130-N134 VanDerWaalsContact O-N 3.11Å; K130-N134 PolarHBondContact O-ND2 3.25Å; K130-N134 VanDerWaalsContact O-ND2 3.1Å; L131-N134 CarbonylContact O-C 3.49Å; L131-N134 PolarHBondContact O-N 2.82Å; V132-N134 PolarHBondContact O-N 3.45Å; N134-I136 HydrophobicContact CB-CG1 4.32Å; N134-I136 PolarHBondContact O-N 2.9Å; N134-Y201 PolarHBondContact ND2-OH 2.78Å
135H94.8Very high96.9Very high175 Ų17558.6 Ų58.681%0.8132%0.323SS*.THydrogen-bonded Turntrans58.728.1179.4-53.6-60.6000115L131 V132 D133L131-H135 PolarHBondContact O-N 3.2Å; V132-H135 PolarHBondContact O-N 3.32Å; D133-H135 VanDerWaalsContact C-N 3.3Å; D133-H135 PolarHBondContact O-N 3.04Å
136I94.6Very high96.8Very high33 Ų3359.9 Ų59.917%0.16932%0.317CS..  trans-92112.4174.1-51.3-56.6000109.1L131 N134 C138 Q186L131-I136 HydrophobicContact CB-CB 4.17Å; L131-I136 HydrophobicContact CD2-CB 4.17Å; L131-I136 HydrophobicContact CD2-CG1 4.36Å; L131-I136 HydrophobicContact CD2-CG2 4.15Å; L131-I136 WeakPolarHBondContact O-CB 3.2Å; L131-I136 PolarHBondContact O-N 2.92Å; N134-I136 HydrophobicContact CB-CG1 4.32Å; N134-I136 PolarHBondContact O-N 2.9Å; I136-C138 PolarHBondContact O-N 3.21Å; I136-Q186 HydrophobicContact CD1-CB 4.47Å; I136-Q186 HydrophobicContact CD1-CG 3.87Å; I136-Q186 HydrophobicContact CG1-CB 4.09Å; I136-Q186 HydrophobicContact CG1-CG 4.02Å; I136-Q186 HydrophobicContact CG2-CB 4.44Å
137A94.1Very high96.7Very high54 Ų5455.9 Ų55.945%0.44630%0.3SS..  trans-65.1116.4177.700000110.5M82 P83M82-A137 HydrophobicContact CB-CB 4.24Å; M82-A137 HydrophobicContact SD-CB 4.44Å; P83-A137 WeakPolarHBondContact CD-O 3.23Å
138C97.4Very high96.7Very high8 Ų855.9 Ų55.95%0.05430%0.3CS..  trans-156.4172.3171.660.70000109.9P83 L85 Y128 I136P83-C138 HydrophobicContact CB-CB 4.5Å; P83-C138 CarbonylContact O-C 3.27Å; P83-C138 WeakPolarHBondContact O-CA 3.47Å; P83-C138 WeakPolarHBondContact O-CB 3.1Å; L85-C138 HydrophobicContact CD1-CB 4.16Å; Y128-C138 WeakPolarHBondContact CE2-O 3.32Å; I136-C138 PolarHBondContact O-N 3.21Å
139S98Very high96.7Very high34 Ų3453.1 Ų53.124%0.23829%0.292CS..EExtended strand (participates in β ladder)trans-141.7173.8171.367.40000111.9P83 I84 L85P83-S139 PolarHBondContact O-N 3.29Å; I84-S139 WeakPolarHBondContact CA-O 3.24Å; I84-S139 WeakPolarHBondContact CG1-OG 3.43Å; L85-S139 PolarHBondContact N-O 3.07Å
140L98.5Very high96.8Very high59 Ų5950.3 Ų50.331%0.30927%0.272SS..EExtended strand (participates in β ladder)trans-105.2146.7168.8-60.6-179.9000109.7L85 T87 L124 Y128L85-L140 HydrophobicContact CB-CD2 3.88Å; L85-L140 WeakPolarHBondContact O-CA 3.49Å; T87-L140 HydrophobicContact CG2-CB 4.35Å; T87-L140 HydrophobicContact CG2-CD2 4.45Å; L124-L140 HydrophobicContact CB-CD2 4.09Å; Y128-L140 HydrophobicContact CD1-CD1 4.38Å; Y128-L140 HydrophobicContact CD1-CG 4.49Å; Y128-L140 HydrophobicContact CD2-CG 4.29Å; Y128-L140 HydrophobicContact CG-CD1 4.29Å; Y128-L140 HydrophobicContact CG-CD2 4.33Å; Y128-L140 HydrophobicContact CG-CG 4.01Å
141S98.5Very high96.8Very high29 Ų2946.2 Ų46.220%0.20325%0.254CS..EExtended strand (participates in β ladder)trans-138.6160.6173.8172.70000111L85 E86 T87 D143L85-S141 PolarHBondContact O-N 2.8Å; E86-S141 WeakPolarHBondContact OE2-CB 3.47Å; E86-S141 PolarHBondContact OE2-OG 3.18Å; T87-S141 WeakPolarHBondContact CB-O 3.38Å; T87-S141 PolarHBondContact N-O 3.22Å; T87-S141 PolarHBondContact OG1-O 2.91Å; S141-D143 PolarHBondContact OG-N 2.79Å; S141-D143 VanDerWaalsContact OG-N 3.1Å
142N98.1Very high96.9Very high93 Ų9346.2 Ų46.250%0.49725%0.254SS..SBendtrans-122.321.2174.167.5-5.1000111.5L88 Y90L88-N142 HydrophobicContact CD1-CB 4.43Å; L88-N142 WeakPolarHBondContact CD1-O 3.28Å; L88-N142 HydrophobicContact CD2-CB 3.87Å; L88-N142 HydrophobicContact CG-CB 3.93Å; Y90-N142 WeakPolarHBondContact CE2-O 3.37Å; Y90-N142 PolarHBondContact OH-O 2.92Å
143D97.5Very high97.1Very high62 Ų6243.2 Ų43.233%0.33224%0.236SC..  trans-139.885.7-179.9-165-7.7000110.7E86 S141 G145 R146E86-D143 VanDerWaalsContact OE2-C 3.29Å; E86-D143 PolarHBondContact OE2-N 3.24Å; S141-D143 PolarHBondContact OG-N 2.79Å; S141-D143 VanDerWaalsContact OG-N 3.1Å; D143-G145 PolarHBondContact O-N 3.06Å; D143-G145 WeakPolarHBondContact OD1-CA 3.41Å; D143-G145 PolarHBondContact OD1-N 3.1Å; D143-R146 VanDerWaalsContact CG-NH1 3.25Å; D143-R146 IonicContact OD1-CZ 3.02Å; D143-R146 IonicContact OD1-NE 3.82Å; D143-R146 IonicContact OD1-NH1 2.62Å; D143-R146 PolarHBondContact OD1-NH1 2.86Å; D143-R146 IonicContact OD1-NH2 3.1Å; D143-R146 PolarHBondContact OD1-NH2 3.3Å; D143-R146 IonicContact OD2-CZ 3.88Å; D143-R146 IonicContact OD2-NH1 2.78Å; D143-R146 PolarHBondContact OD2-NH1 3.49Å; D143-R146 IonicContact OD2-NH2 3.49Å; D143-R146 PolarHBondContact OD2-NH2 2.79Å
144P97.6Very high97.2Very high2 Ų238.4 Ų38.41%0.01321%0.21CC..  trans-73.39.1173.834-39.1000112.7E86 L88 G150 Y153 H168E86-P144 HydrophobicContact CB-CB 4.2Å; E86-P144 HydrophobicContact CG-CB 3.83Å; L88-P144 VanDerWaalsContact O-CD 3.27Å; L88-P144 WeakPolarHBondContact O-CD 3.42Å; L88-P144 WeakPolarHBondContact O-CG 3.38Å; P144-G150 PolarHBondContact O-N 2.83Å; P144-Y153 HydrophobicContact CB-CD1 4.26Å; P144-Y153 HydrophobicContact CG-CD1 4.27Å; P144-H168 PolarHBondContact O-CE1 2.99Å
145G96.5Very high97.4Very high26 Ų2637 Ų3727%0.26820%0.2SC..  trans75.9172-174.600000113.1D143 G150D143-G145 PolarHBondContact O-N 3.06Å; D143-G145 WeakPolarHBondContact OD1-CA 3.41Å; D143-G145 PolarHBondContact OD1-N 3.1Å; G145-G150 WeakPolarHBondContact O-CA 3.39Å
146R96.7Very high97.6Very high94 Ų9428.7 Ų28.736%0.35516%0.161SC..SBendtrans-115.745.5-175.1-70.463.5173-154.520.6110.5G93 Y94 D143G93-R146 WeakPolarHBondContact O-CB 3.38Å; Y94-R146 VanDerWaalsContact CD1-C 3.45Å; D143-R146 VanDerWaalsContact CG-NH1 3.25Å; D143-R146 IonicContact OD1-CZ 3.02Å; D143-R146 IonicContact OD1-NE 3.82Å; D143-R146 IonicContact OD1-NH1 2.62Å; D143-R146 PolarHBondContact OD1-NH1 2.86Å; D143-R146 IonicContact OD1-NH2 3.1Å; D143-R146 PolarHBondContact OD1-NH2 3.3Å; D143-R146 IonicContact OD2-CZ 3.88Å; D143-R146 IonicContact OD2-NH1 2.78Å; D143-R146 PolarHBondContact OD2-NH1 3.49Å; D143-R146 IonicContact OD2-NH2 3.49Å; D143-R146 PolarHBondContact OD2-NH2 2.79Å
147F96Very high97.8Very high35 Ų3527.2 Ų27.215%0.15415%0.153CC..SBendtrans-134.2-158.1173.8-165.2-123000109F11 V51 Y94 K96 P97 C149 G150 Y151F11-F147 AromaticContact CD2-CE1 3.7Å; F11-F147 HydrophobicContact CD2-CE1 3.7Å; F11-F147 HydrophobicContact CD2-CZ 4.37Å; F11-F147 HydrophobicContact CE2-CD1 4.04Å; F11-F147 AromaticContact CE2-CE1 3.17Å; F11-F147 HydrophobicContact CE2-CE1 3.17Å; F11-F147 AromaticContact CE2-CZ 3.69Å; F11-F147 HydrophobicContact CE2-CZ 3.69Å; F11-F147 HydrophobicContact CZ-CD1 4.36Å; F11-F147 AromaticContact CZ-CE1 3.89Å; F11-F147 HydrophobicContact CZ-CE1 3.89Å; V51-F147 HydrophobicContact CG1-CD1 4.45Å; V51-F147 HydrophobicContact CG1-CE1 3.63Å; V51-F147 HydrophobicContact CG1-CZ 4.28Å; Y94-F147 VanDerWaalsContact CE1-O 3.23Å; Y94-F147 WeakPolarHBondContact CE1-O 3.23Å; K96-F147 HydrophobicContact CB-CD2 3.92Å; K96-F147 HydrophobicContact CB-CE2 3.95Å; P97-F147 WeakPolarHBondContact O-CE2 3.15Å; F147-C149 PolarHBondContact O-N 3.47Å; F147-C149 VanDerWaalsContact O-N 3.13Å; F147-G150 PolarHBondContact O-N 2.74Å; F147-Y151 WeakPolarHBondContact O-CB 3.41Å; F147-Y151 PolarHBondContact O-N 3.24Å
148L97.7Very high98Very high1 Ų127.7 Ų27.71%0.00515%0.147CC..Hα-helixtrans-64.5-22.1-171.5-76.6-55.8000114.6F8 V51 Y53 V56 D98 Y151 I152F8-L148 HydrophobicContact CE1-CB 4.02Å; F8-L148 HydrophobicContact CZ-CB 4.13Å; F8-L148 WeakPolarHBondContact CZ-O 3.02Å; V51-L148 HydrophobicContact CG1-CB 3.95Å; V51-L148 HydrophobicContact CG1-CD2 4.22Å; V51-L148 HydrophobicContact CG1-CG 4.03Å; Y53-L148 HydrophobicContact CD1-CD1 3.42Å; Y53-L148 VanDerWaalsContact CD1-CD1 3.42Å; Y53-L148 HydrophobicContact CE1-CD1 3.66Å; Y53-L148 HydrophobicContact CE1-CD2 4.09Å; Y53-L148 HydrophobicContact CE2-CD2 4.29Å; Y53-L148 HydrophobicContact CG-CD1 3.88Å; V56-L148 HydrophobicContact CB-CD1 4.36Å; V56-L148 HydrophobicContact CG2-CB 4.46Å; V56-L148 HydrophobicContact CG2-CD1 3.93Å; V56-L148 HydrophobicContact CG2-CG 4.42Å; D98-L148 HydrophobicContact CB-CD2 4.12Å; L148-Y151 HydrophobicContact CD1-CD1 4.17Å; L148-Y151 HydrophobicContact CD1-CG 4.35Å; L148-I152 WeakPolarHBondContact O-CG2 3.42Å; L148-I152 PolarHBondContact O-N 2.88Å
149C98Very high98.1Very high22 Ų2232.7 Ų32.715%0.14917%0.165CC..Hα-helixtrans-63.2-58.2171.3-64.30000112.1F147 Y151 I152 Y153 F166 H168F147-C149 PolarHBondContact O-N 3.47Å; F147-C149 VanDerWaalsContact O-N 3.13Å; C149-Y151 PolarHBondContact O-N 3.31Å; C149-I152 VanDerWaalsContact O-CG2 3.31Å; C149-I152 WeakPolarHBondContact O-CG2 3.43Å; C149-Y153 PolarHBondContact O-N 2.64Å; C149-F166 HydrophobicContact CB-CE1 3.96Å; C149-F166 HydrophobicContact CB-CE2 4.01Å; C149-F166 HydrophobicContact CB-CZ 3.4Å; C149-F166 WeakPolarHBondContact O-CE2 3.27Å; C149-H168 WeakPolarHBondContact CB-NE2 3.45Å; C149-H168 PolarHBondContact SG-NE2 2.75Å
150G98.4Very high98.1Very high0 Ų031.6 Ų31.60%016%0.158CC..Hα-helixtrans-58.5-38.8173.200000112.3S89 Y94 P144 G145 F147 Y153 Y154S89-G150 PolarHBondContact OG-O 3.18Å; Y94-G150 PolarHBondContact OH-O 2.92Å; P144-G150 PolarHBondContact O-N 2.83Å; G145-G150 WeakPolarHBondContact O-CA 3.39Å; F147-G150 PolarHBondContact O-N 2.74Å; G150-Y153 PolarHBondContact O-N 2.79Å; G150-Y154 WeakPolarHBondContact O-CB 3.4Å; G150-Y154 PolarHBondContact O-N 3.16Å
151Y98.7Very high98.1Very high9 Ų930.6 Ų30.64%0.03516%0.155CC..Hα-helixtrans-63.6-54.2-178-168.3-93000112.1Y53 V56 D57 Y94 A110 F147 L148 C149 Y153 Y154 R155Y53-Y151 HydrophobicContact CD1-CD1 4.01Å; Y53-Y151 AromaticContact CD1-CD2 3.8Å; Y53-Y151 HydrophobicContact CD1-CD2 3.8Å; Y53-Y151 HydrophobicContact CD1-CE1 4Å; Y53-Y151 AromaticContact CD1-CE2 3.76Å; Y53-Y151 HydrophobicContact CD1-CE2 3.76Å; Y53-Y151 AromaticContact CD1-CG 3.92Å; Y53-Y151 HydrophobicContact CD1-CG 3.92Å; Y53-Y151 AromaticContact CD1-CZ 3.89Å; Y53-Y151 AromaticContact CE1-CD2 3.82Å; Y53-Y151 HydrophobicContact CE1-CD2 3.82Å; Y53-Y151 HydrophobicContact CE1-CE2 4.13Å; Y53-Y151 HydrophobicContact CE1-CG 4.07Å; V56-Y151 HydrophobicContact CB-CD1 4.32Å; V56-Y151 HydrophobicContact CG1-CD1 3.68Å; V56-Y151 HydrophobicContact CG1-CE1 4.12Å; D57-Y151 WeakPolarHBondContact OD1-CE1 3.22Å; D57-Y151 PolarHBondContact OD1-OH 3.07Å; Y94-Y151 HydrophobicContact CD1-CD2 4.06Å; Y94-Y151 AromaticContact CD2-CD2 3.72Å; Y94-Y151 HydrophobicContact CD2-CD2 3.72Å; Y94-Y151 HydrophobicContact CD2-CE2 4.34Å; Y94-Y151 HydrophobicContact CE1-CD2 4.16Å; Y94-Y151 HydrophobicContact CE1-CG 4.42Å; Y94-Y151 VanDerWaalsContact CE1-N 3.34Å; Y94-Y151 AromaticContact CE2-CD2 3.81Å; Y94-Y151 HydrophobicContact CE2-CD2 3.81Å; Y94-Y151 AromaticContact CG-CD2 3.85Å; Y94-Y151 HydrophobicContact CG-CD2 3.85Å; Y94-Y151 WeakPolarHBondContact OH-CA 3.27Å; Y94-Y151 PolarHBondContact OH-N 2.85Å; A110-Y151 HydrophobicContact CB-CD2 3.93Å; A110-Y151 HydrophobicContact CB-CE2 3.68Å; F147-Y151 WeakPolarHBondContact O-CB 3.41Å; F147-Y151 PolarHBondContact O-N 3.24Å; L148-Y151 HydrophobicContact CD1-CD1 4.17Å; L148-Y151 HydrophobicContact CD1-CG 4.35Å; C149-Y151 PolarHBondContact O-N 3.31Å; Y151-Y153 PolarHBondContact O-N 3.45Å; Y151-Y154 PolarHBondContact O-N 3Å; Y151-R155 HydrophobicContact CD1-CG 3.91Å; Y151-R155 HydrophobicContact CE1-CG 3.62Å; Y151-R155 WeakPolarHBondContact O-CG 3.37Å; Y151-R155 PolarHBondContact O-N 2.61Å; Y151-R155 PolarHBondContact OH-NH1 3.49Å
152I98.8Very high98.1Very high0 Ų033 Ų330%017%0.165CC..Hα-helixtrans-59.9-36.2178.3-166.6166000111F8 V49 V56 V60 H73 L148 C149 S156 F166F8-I152 HydrophobicContact CE2-CG2 3.88Å; F8-I152 HydrophobicContact CZ-CB 4.07Å; F8-I152 HydrophobicContact CZ-CD1 4.24Å; F8-I152 HydrophobicContact CZ-CG2 3.58Å; V49-I152 HydrophobicContact CG1-CD1 4.47Å; V56-I152 HydrophobicContact CG1-CB 3.55Å; V56-I152 HydrophobicContact CG1-CD1 4.15Å; V56-I152 HydrophobicContact CG1-CG1 3.71Å; V56-I152 HydrophobicContact CG2-CB 4.48Å; V60-I152 HydrophobicContact CG2-CD1 4.39Å; V60-I152 HydrophobicContact CG2-CG1 3.68Å; H73-I152 HydrophobicContact CB-CG2 4.2Å; H73-I152 WeakPolarHBondContact ND1-CD1 3.19Å; L148-I152 WeakPolarHBondContact O-CG2 3.42Å; L148-I152 PolarHBondContact O-N 2.88Å; C149-I152 VanDerWaalsContact O-CG2 3.31Å; C149-I152 WeakPolarHBondContact O-CG2 3.43Å; I152-S156 WeakPolarHBondContact O-CB 3.4Å; I152-S156 PolarHBondContact O-N 2.96Å; I152-S156 PolarHBondContact O-OG 3.41Å; I152-F166 HydrophobicContact CG2-CD2 3.94Å; I152-F166 HydrophobicContact CG2-CE2 3.53Å
153Y98.9Very high98Very high0 Ų031.2 Ų31.20%015%0.152CC..Hα-helixtrans-66.8-48178.3-169.9-159.6000111.5E86 L88 C120 P144 C149 G150 Y151 S156 L157 V164 F166E86-Y153 HydrophobicContact CB-CD1 4.08Å; E86-Y153 HydrophobicContact CB-CE1 3.61Å; E86-Y153 WeakPolarHBondContact O-CE1 3.49Å; E86-Y153 PolarHBondContact O-OH 2.79Å; L88-Y153 WeakPolarHBondContact O-CE1 3.41Å; C120-Y153 VanDerWaalsContact CB-OH 3.29Å; C120-Y153 WeakPolarHBondContact CB-OH 3.33Å; P144-Y153 HydrophobicContact CB-CD1 4.26Å; P144-Y153 HydrophobicContact CG-CD1 4.27Å; C149-Y153 PolarHBondContact O-N 2.64Å; G150-Y153 PolarHBondContact O-N 2.79Å; Y151-Y153 PolarHBondContact O-N 3.45Å; Y153-S156 PolarHBondContact O-N 3.22Å; Y153-L157 HydrophobicContact CD1-CD1 4.12Å; Y153-L157 HydrophobicContact CD2-CD1 3.78Å; Y153-L157 HydrophobicContact CD2-CD2 4.39Å; Y153-L157 HydrophobicContact CD2-CG 3.74Å; Y153-L157 HydrophobicContact CE1-CD1 4.06Å; Y153-L157 HydrophobicContact CE2-CD1 3.71Å; Y153-L157 HydrophobicContact CE2-CD2 3.77Å; Y153-L157 HydrophobicContact CE2-CG 3.61Å; Y153-L157 HydrophobicContact CG-CD1 4Å; Y153-L157 HydrophobicContact CG-CG 4.43Å; Y153-L157 WeakPolarHBondContact O-CB 3.4Å; Y153-L157 VanDerWaalsContact O-CG 3.29Å; Y153-L157 WeakPolarHBondContact O-CG 3.12Å; Y153-L157 PolarHBondContact O-N 3.09Å; Y153-V164 HydrophobicContact CD2-CG2 4.22Å; Y153-V164 HydrophobicContact CE2-CG1 4.19Å; Y153-V164 HydrophobicContact CE2-CG2 4.23Å; Y153-F166 HydrophobicContact CD1-CB 3.55Å; Y153-F166 HydrophobicContact CD1-CG 4.39Å; Y153-F166 HydrophobicContact CD2-CB 3.76Å; Y153-F166 HydrophobicContact CE1-CB 3.87Å; Y153-F166 HydrophobicContact CE2-CB 4.06Å; Y153-F166 HydrophobicContact CG-CB 3.47Å; Y153-F166 VanDerWaalsContact CG-CB 3.47Å; Y153-F166 HydrophobicContact CG-CD2 4.36Å; Y153-F166 HydrophobicContact CG-CG 4.24Å
154Y98.8Very high98.1Very high1 Ų128.3 Ų28.30%0.00414%0.136CC..Hα-helixtrans-58.2-51.5177.3-173.6-85.6000110.6Y90 N91 A110 N111 G114 E115 L118 G150 Y151 S156 L157 E158Y90-Y154 VanDerWaalsContact O-CD2 3.31Å; Y90-Y154 WeakPolarHBondContact O-CD2 3.42Å; N91-Y154 HydrophobicContact CB-CD2 4.3Å; N91-Y154 HydrophobicContact CB-CE1 4.19Å; N91-Y154 HydrophobicContact CB-CE2 3.48Å; N91-Y154 VanDerWaalsContact CB-CE2 3.48Å; N91-Y154 VanDerWaalsContact CB-CZ 3.43Å; N91-Y154 WeakPolarHBondContact CB-OH 3.15Å; N91-Y154 VanDerWaalsContact CG-CZ 3.48Å; N91-Y154 WeakPolarHBondContact OD1-CE1 3.34Å; N91-Y154 PolarHBondContact OD1-OH 3.47Å; A110-Y154 HydrophobicContact CB-CD1 3.45Å; A110-Y154 VanDerWaalsContact CB-CD1 3.45Å; A110-Y154 HydrophobicContact CB-CE1 3.87Å; A110-Y154 HydrophobicContact CB-CG 4.18Å; N111-Y154 HydrophobicContact CB-CE1 4.34Å; G114-Y154 WeakPolarHBondContact CA-OH 3.33Å; E115-Y154 PolarHBondContact N-OH 3.31Å; E115-Y154 WeakPolarHBondContact O-CE2 3.35Å; E115-Y154 PolarHBondContact O-OH 2.93Å; L118-Y154 HydrophobicContact CB-CD2 4.4Å; L118-Y154 HydrophobicContact CB-CE2 4.27Å; L118-Y154 HydrophobicContact CD1-CD1 4.45Å; L118-Y154 HydrophobicContact CD1-CD2 4.02Å; L118-Y154 HydrophobicContact CD1-CE1 4.14Å; L118-Y154 HydrophobicContact CD1-CE2 3.68Å; L118-Y154 HydrophobicContact CD1-CG 4.39Å; L118-Y154 HydrophobicContact CG-CD2 4.18Å; L118-Y154 HydrophobicContact CG-CE2 3.65Å; G150-Y154 WeakPolarHBondContact O-CB 3.4Å; G150-Y154 PolarHBondContact O-N 3.16Å; Y151-Y154 PolarHBondContact O-N 3Å; Y154-S156 VanDerWaalsContact C-N 3.26Å; Y154-S156 PolarHBondContact O-N 3.19Å; Y154-L157 WeakPolarHBondContact O-CB 3.47Å; Y154-L157 PolarHBondContact O-N 2.91Å; Y154-E158 HydrophobicContact CD1-CG 4.12Å; Y154-E158 HydrophobicContact CE1-CG 3.8Å; Y154-E158 WeakPolarHBondContact O-CG 3.31Å; Y154-E158 PolarHBondContact O-N 2.92Å
155R98.6Very high98.2Very high40 Ų4028.2 Ų28.215%0.15114%0.135CC..Hα-helixtrans-59.1-36.6-179.7-64.3-52.9-62.3-92.6-8.5112.4D57 V60 A110 Y151 E158 Y159D57-R155 IonicContact OD1-CZ 3.94Å; D57-R155 VanDerWaalsContact OD1-CZ 3.25Å; D57-R155 IonicContact OD1-NE 3.55Å; D57-R155 IonicContact OD1-NH1 2.75Å; D57-R155 PolarHBondContact OD1-NH1 2.93Å; D57-R155 IonicContact OD1-NH2 3.82Å; D57-R155 IonicContact OD2-CZ 3.75Å; D57-R155 IonicContact OD2-NH1 2.73Å; D57-R155 PolarHBondContact OD2-NH1 3.43Å; D57-R155 IonicContact OD2-NH2 3.02Å; V60-R155 HydrophobicContact CG1-CB 4.07Å; V60-R155 HydrophobicContact CG2-CB 4.16Å; A110-R155 PolarHBondContact O-NH1 3.28Å; Y151-R155 HydrophobicContact CD1-CG 3.91Å; Y151-R155 HydrophobicContact CE1-CG 3.62Å; Y151-R155 WeakPolarHBondContact O-CG 3.37Å; Y151-R155 PolarHBondContact O-N 2.61Å; Y151-R155 PolarHBondContact OH-NH1 3.49Å; R155-E158 VanDerWaalsContact CD-OE2 3.28Å; R155-E158 WeakPolarHBondContact CD-OE2 3.43Å; R155-E158 IonicContact NE-OE2 3.05Å; R155-E158 PolarHBondContact NE-OE2 3.49Å; R155-Y159 WeakPolarHBondContact O-CD2 3.47Å
156S98.8Very high98.3Very high0 Ų027 Ų270%012%0.122CC..Hα-helixtrans-77.8-31.3175.1-77.60000113.9W64 H73 I152 Y153 Y154 E158 Y159 S160W64-S156 WeakPolarHBondContact CZ2-O 3.44Å; W64-S156 PolarHBondContact NE1-OG 3.02Å; H73-S156 WeakPolarHBondContact NE2-CB 3.34Å; H73-S156 PolarHBondContact NE2-OG 2.91Å; I152-S156 WeakPolarHBondContact O-CB 3.4Å; I152-S156 PolarHBondContact O-N 2.96Å; I152-S156 PolarHBondContact O-OG 3.41Å; Y153-S156 PolarHBondContact O-N 3.22Å; Y154-S156 VanDerWaalsContact C-N 3.26Å; Y154-S156 PolarHBondContact O-N 3.19Å; S156-E158 VanDerWaalsContact C-N 3.25Å; S156-E158 PolarHBondContact O-N 2.83Å; S156-Y159 PolarHBondContact O-N 3.12Å; S156-S160 PolarHBondContact O-N 3.32Å
157L98.8Very high98.4Very high2 Ų222.5 Ų22.51%0.0111%0.105CC..Hα-helixtrans-63.2-33.4172.9-76.6166.3000111.3L118 C120 Y153 Y154 Y159 S160 P161 V164L118-L157 HydrophobicContact CB-CB 3.86Å; L118-L157 HydrophobicContact CB-CD1 3.91Å; L118-L157 HydrophobicContact CB-CG 4.45Å; L118-L157 HydrophobicContact CD1-CB 3.83Å; C120-L157 HydrophobicContact CB-CD2 4.45Å; Y153-L157 HydrophobicContact CD1-CD1 4.12Å; Y153-L157 HydrophobicContact CD2-CD1 3.78Å; Y153-L157 HydrophobicContact CD2-CD2 4.39Å; Y153-L157 HydrophobicContact CD2-CG 3.74Å; Y153-L157 HydrophobicContact CE1-CD1 4.06Å; Y153-L157 HydrophobicContact CE2-CD1 3.71Å; Y153-L157 HydrophobicContact CE2-CD2 3.77Å; Y153-L157 HydrophobicContact CE2-CG 3.61Å; Y153-L157 HydrophobicContact CG-CD1 4Å; Y153-L157 HydrophobicContact CG-CG 4.43Å; Y153-L157 WeakPolarHBondContact O-CB 3.4Å; Y153-L157 VanDerWaalsContact O-CG 3.29Å; Y153-L157 WeakPolarHBondContact O-CG 3.12Å; Y153-L157 PolarHBondContact O-N 3.09Å; Y154-L157 WeakPolarHBondContact O-CB 3.47Å; Y154-L157 PolarHBondContact O-N 2.91Å; L157-Y159 PolarHBondContact O-N 2.85Å; L157-S160 PolarHBondContact O-N 2.66Å; L157-P161 HydrophobicContact CD2-CB 4.16Å; L157-P161 WeakPolarHBondContact O-CD 3.44Å; L157-V164 HydrophobicContact CD2-CG1 3.63Å; L157-V164 HydrophobicContact CG-CG1 3.95Å
158E98.2Very high98.5Very high65 Ų6521.3 Ų21.330%0.30410%0.1SC..Hα-helixtrans-58.5-33.3174.1-67.5-177.4110.800112.7N111 L118 Y154 R155 S156N111-E158 WeakPolarHBondContact CB-OE1 3.41Å; N111-E158 PolarHBondContact ND2-OE1 3.49Å; L118-E158 HydrophobicContact CD1-CB 4.42Å; L118-E158 HydrophobicContact CD1-CG 3.63Å; Y154-E158 HydrophobicContact CD1-CG 4.12Å; Y154-E158 HydrophobicContact CE1-CG 3.8Å; Y154-E158 WeakPolarHBondContact O-CG 3.31Å; Y154-E158 PolarHBondContact O-N 2.92Å; R155-E158 VanDerWaalsContact CD-OE2 3.28Å; R155-E158 WeakPolarHBondContact CD-OE2 3.43Å; R155-E158 IonicContact NE-OE2 3.05Å; R155-E158 PolarHBondContact NE-OE2 3.49Å; S156-E158 VanDerWaalsContact C-N 3.25Å; S156-E158 PolarHBondContact O-N 2.83Å
159Y98.2Very high98.5Very high112 Ų11221.2 Ų21.244%0.43910%0.1SC..Hα-helixtrans-79-46.2179.1-82.1-87.8000112.8V60 N61 W64 R155 S156 L157V60-Y159 HydrophobicContact CG1-CD2 3.93Å; V60-Y159 HydrophobicContact CG1-CE2 3.72Å; N61-Y159 PolarHBondContact OD1-OH 3.02Å; W64-Y159 HydrophobicContact CB-CD1 3.49Å; W64-Y159 VanDerWaalsContact CB-CD1 3.49Å; W64-Y159 HydrophobicContact CB-CD2 4.25Å; W64-Y159 HydrophobicContact CB-CE1 3.7Å; W64-Y159 HydrophobicContact CB-CE2 4.44Å; W64-Y159 HydrophobicContact CB-CG 3.78Å; W64-Y159 AromaticContact CD1-CD2 3.35Å; W64-Y159 AromaticContact CD1-CE2 3.88Å; W64-Y159 AromaticContact CD1-CG 3.49Å; W64-Y159 VanDerWaalsContact CD1-CG 3.49Å; W64-Y159 VanDerWaalsContact CD2-CB 3.44Å; W64-Y159 HydrophobicContact CD2-CD1 4.29Å; W64-Y159 HydrophobicContact CD2-CD2 4.43Å; W64-Y159 AromaticContact CD2-CG 3.83Å; W64-Y159 HydrophobicContact CD2-CG 3.83Å; W64-Y159 AromaticContact CG-CD1 3.69Å; W64-Y159 HydrophobicContact CG-CD1 3.69Å; W64-Y159 AromaticContact CG-CD2 3.77Å; W64-Y159 HydrophobicContact CG-CD2 3.77Å; W64-Y159 HydrophobicContact CG-CE1 4.25Å; W64-Y159 HydrophobicContact CG-CE2 4.33Å; W64-Y159 AromaticContact CG-CG 3.41Å; W64-Y159 HydrophobicContact CG-CG 3.41Å; W64-Y159 VanDerWaalsContact CG-CG 3.41Å; W64-Y159 AromaticContact NE1-CD2 3.84Å; W64-Y159 AromaticContact NE1-CG 3.97Å; R155-Y159 WeakPolarHBondContact O-CD2 3.47Å; S156-Y159 PolarHBondContact O-N 3.12Å; L157-Y159 PolarHBondContact O-N 2.85Å
160S98.2Very high98.5Very high12 Ų1220.2 Ų20.28%0.0849%0.093CC..  trans-163.292.5-175.8-172.60000111.9W64 S156 L157 D162 R163W64-S160 VanDerWaalsContact CZ3-CB 3.48Å; S156-S160 PolarHBondContact O-N 3.32Å; L157-S160 PolarHBondContact O-N 2.66Å; S160-D162 PolarHBondContact O-N 3.11Å; S160-R163 PolarHBondContact O-N 2.88Å; S160-R163 VanDerWaalsContact O-N 3.1Å; S160-R163 PolarHBondContact OG-NE 3.45Å
161P98.3Very high98.3Very high38 Ų3821.4 Ų21.425%0.24710%0.101CC..THydrogen-bonded Turntrans-63.3-17.3178.926.9-34.2000113.7Y119 N121 L157Y119-P161 WeakPolarHBondContact O-CB 3.23Å; N121-P161 HydrophobicContact CB-CB 4.38Å; N121-P161 PolarHBondContact N-O 3.15Å; L157-P161 HydrophobicContact CD2-CB 4.16Å; L157-P161 WeakPolarHBondContact O-CD 3.44Å
162D98.3Very high98.1Very high79 Ų7923 Ų2342%0.42212%0.116SC..THydrogen-bonded Turntrans-85.2-4.7178.5-48.2-72.5000114.6N121 M122 S160 K195N121-D162 WeakPolarHBondContact CB-OD1 3.21Å; N121-D162 PolarHBondContact ND2-OD1 3.14Å; M122-D162 WeakPolarHBondContact CG-O 3.27Å; S160-D162 PolarHBondContact O-N 3.11Å; D162-K195 PolarHBondContact O-NZ 2.73Å
163R98Very high97.8Very high56 Ų5627.9 Ų27.921%0.21116%0.156CC..SBendtrans-137.314.3-170.9-62-172.2-68.2166.6-5.8114.1W64 N67 P68 D69 L70 V71 S160W64-R163 HydrophobicContact CH2-CB 4.22Å; W64-R163 HydrophobicContact CZ3-CB 4.47Å; N67-R163 PolarHBondContact OD1-NH1 3.01Å; N67-R163 PolarHBondContact OD1-NH2 3.39Å; N67-R163 VanDerWaalsContact OD1-NH2 3.14Å; P68-R163 PolarHBondContact O-NH1 3.42Å; D69-R163 WeakPolarHBondContact O-CD 3.46Å; D69-R163 WeakPolarHBondContact O-CG 3.47Å; L70-R163 CarbonylContact C-O 3.4Å; L70-R163 WeakPolarHBondContact CA-O 3.41Å; V71-R163 PolarHBondContact N-O 3.35Å; S160-R163 PolarHBondContact O-N 2.88Å; S160-R163 VanDerWaalsContact O-N 3.1Å; S160-R163 PolarHBondContact OG-NE 3.45Å
164V98.8Very high97.7Very high0 Ų033.7 Ų33.70%018%0.179CC..EExtended strand (participates in β ladder)trans-132.9141.1176.363.80000112.3W64 V71 C120 Y153 L157W64-V164 HydrophobicContact CH2-CB 4.31Å; W64-V164 HydrophobicContact CZ2-CB 4.03Å; W64-V164 HydrophobicContact CZ2-CG1 4.47Å; V71-V164 HydrophobicContact CB-CB 4.24Å; V71-V164 HydrophobicContact CB-CG2 4.05Å; V71-V164 HydrophobicContact CG1-CG2 4.14Å; V71-V164 VanDerWaalsContact O-CA 3.3Å; V71-V164 WeakPolarHBondContact O-CA 3.49Å; C120-V164 PolarHBondContact SG-O 3.42Å; Y153-V164 HydrophobicContact CD2-CG2 4.22Å; Y153-V164 HydrophobicContact CE2-CG1 4.19Å; Y153-V164 HydrophobicContact CE2-CG2 4.23Å; L157-V164 HydrophobicContact CD2-CG1 3.63Å; L157-V164 HydrophobicContact CG-CG1 3.95Å
165V98.8Very high97.5Very high0 Ų035.2 Ų35.20%019%0.186CC..EExtended strand (participates in β ladder)trans-134.5144.6171.5-175.60000108.9V71 I72 H73 M122 L124 V167 L191V71-V165 PolarHBondContact O-N 2.89Å; I72-V165 WeakPolarHBondContact CA-O 3.46Å; H73-V165 PolarHBondContact N-O 2.71Å; M122-V165 HydrophobicContact CE-CG2 4.45Å; M122-V165 HydrophobicContact SD-CG2 3.65Å; L124-V165 HydrophobicContact CD1-CG1 4.17Å; L124-V165 HydrophobicContact CD2-CG1 4.1Å; L124-V165 HydrophobicContact CD2-CG2 3.74Å; V165-V167 HydrophobicContact CG1-CG2 4.28Å; V165-L191 HydrophobicContact CB-CD1 4.13Å; V165-L191 HydrophobicContact CG1-CD1 4.41Å; V165-L191 HydrophobicContact CG2-CD1 3.9Å; V165-L191 HydrophobicContact CG2-CD2 3.94Å
166F98.9Very high97.5Very high0 Ų035.2 Ų35.20%019%0.192CC..EExtended strand (participates in β ladder)trans-107.2137.9167.1-166.7-76.7000110.3F8 H73 E86 C149 I152 Y153 H168F8-F166 HydrophobicContact CE2-CE2 4.13Å; F8-F166 HydrophobicContact CE2-CZ 4.27Å; H73-F166 HydrophobicContact CB-CD2 3.35Å; H73-F166 HydrophobicContact CB-CE2 3.71Å; H73-F166 HydrophobicContact CB-CG 4.23Å; H73-F166 CarbonylContact O-C 3.57Å; H73-F166 WeakPolarHBondContact O-CA 3.45Å; E86-F166 HydrophobicContact CB-CB 4.14Å; E86-F166 HydrophobicContact CG-CB 4.33Å; E86-F166 HydrophobicContact CG-CD1 3.89Å; E86-F166 PolarHBondContact N-O 3.48Å; C149-F166 HydrophobicContact CB-CE1 3.96Å; C149-F166 HydrophobicContact CB-CE2 4.01Å; C149-F166 HydrophobicContact CB-CZ 3.4Å; C149-F166 WeakPolarHBondContact O-CE2 3.27Å; I152-F166 HydrophobicContact CG2-CD2 3.94Å; I152-F166 HydrophobicContact CG2-CE2 3.53Å; Y153-F166 HydrophobicContact CD1-CB 3.55Å; Y153-F166 HydrophobicContact CD1-CG 4.39Å; Y153-F166 HydrophobicContact CD2-CB 3.76Å; Y153-F166 HydrophobicContact CE1-CB 3.87Å; Y153-F166 HydrophobicContact CE2-CB 4.06Å; Y153-F166 HydrophobicContact CG-CB 3.47Å; Y153-F166 VanDerWaalsContact CG-CB 3.47Å; Y153-F166 HydrophobicContact CG-CD2 4.36Å; Y153-F166 HydrophobicContact CG-CG 4.24Å; F166-H168 AromaticContact CE1-CD2 3.7Å; F166-H168 AromaticContact CE1-CE1 3.6Å; F166-H168 AromaticContact CE1-CG 3.85Å; F166-H168 AromaticContact CE1-ND1 3.79Å; F166-H168 AromaticContact CE1-NE2 3.53Å
167V98.8Very high97.4Very high0 Ų037.4 Ų37.40%021%0.206CC..EExtended strand (participates in β ladder)trans-124.6113178.5-1740000109.9I72 H73 V74 G75 P83 I84 L85 V165 V169 L184 I187I72-V167 HydrophobicContact CG2-CG2 4.02Å; H73-V167 PolarHBondContact O-N 3.44Å; V74-V167 WeakPolarHBondContact CA-O 3.48Å; G75-V167 PolarHBondContact N-O 3.23Å; G75-V167 VanDerWaalsContact N-O 3.09Å; P83-V167 HydrophobicContact CB-CG1 4.08Å; I84-V167 CarbonylContact O-C 3.49Å; I84-V167 WeakPolarHBondContact O-CA 3.34Å; L85-V167 HydrophobicContact CG-CG2 4.44Å; V165-V167 HydrophobicContact CG1-CG2 4.28Å; V167-V169 HydrophobicContact CG1-CG1 4.15Å; V167-L184 HydrophobicContact CB-CD2 4.38Å; V167-L184 HydrophobicContact CG1-CD2 4.07Å; V167-I187 HydrophobicContact CG1-CD1 4.03Å; V167-I187 HydrophobicContact CG2-CG2 4.32Å
168H98.6Very high97.3Very high10 Ų1040.6 Ų40.65%0.04622%0.221CC..EExtended strand (participates in β ladder)trans-75.5139.1164.8-83.3114.3000110G75 D77 P83 I84 E86 P144 C149 F166G75-H168 CarbonylContact O-C 3.49Å; G75-H168 VanDerWaalsContact O-CA 3.27Å; G75-H168 WeakPolarHBondContact O-CA 3.38Å; D77-H168 HydrophobicContact CB-CB 4.08Å; P83-H168 CarbonylContact C-O 3.45Å; P83-H168 WeakPolarHBondContact CA-O 3.36Å; I84-H168 HydrophobicContact CB-CB 4.2Å; I84-H168 PolarHBondContact N-O 3.27Å; I84-H168 PolarHBondContact O-N 3.46Å; E86-H168 IonicContact OE1-CE1 3.72Å; E86-H168 IonicContact OE1-CG 3.27Å; E86-H168 IonicContact OE1-ND1 3.25Å; E86-H168 PolarHBondContact OE1-ND1 2.65Å; P144-H168 PolarHBondContact O-CE1 2.99Å; C149-H168 WeakPolarHBondContact CB-NE2 3.45Å; C149-H168 PolarHBondContact SG-NE2 2.75Å; F166-H168 AromaticContact CE1-CD2 3.7Å; F166-H168 AromaticContact CE1-CE1 3.6Å; F166-H168 AromaticContact CE1-CG 3.85Å; F166-H168 AromaticContact CE1-ND1 3.79Å; F166-H168 AromaticContact CE1-NE2 3.53Å
169V98.2Very high97.3Very high0 Ų041.5 Ų41.50%023%0.228CC..EExtended strand (participates in β ladder)trans-125.5151.1176.4-63.10000111.3V74 G75 M76 D77 V167 T180 L184V74-V169 HydrophobicContact CG1-CB 4.38Å; V74-V169 HydrophobicContact CG1-CG1 3.67Å; V74-V169 HydrophobicContact CG1-CG2 3.78Å; G75-V169 PolarHBondContact O-N 2.91Å; M76-V169 WeakPolarHBondContact CA-O 3.46Å; D77-V169 PolarHBondContact N-O 3.05Å; V167-V169 HydrophobicContact CG1-CG1 4.15Å; V169-T180 HydrophobicContact CB-CG2 3.71Å; V169-T180 HydrophobicContact CG1-CG2 3.65Å; V169-T180 HydrophobicContact CG2-CG2 4.13Å; V169-L184 HydrophobicContact CG1-CD2 4.28Å
170P96.8Very high97.3Very high0 Ų036.2 Ų36.20%021%0.208CC..EExtended strand (participates in β ladder)trans-64.1161.2177.2-20.233.4000113S18 V80 T81 M82 R174 M175S18-P170 WeakPolarHBondContact CB-O 3.31Å; S18-P170 PolarHBondContact OG-O 3.26Å; S18-P170 VanDerWaalsContact OG-O 3.05Å; V80-P170 HydrophobicContact CG2-CB 4.45Å; V80-P170 HydrophobicContact CG2-CG 4.18Å; T81-P170 WeakPolarHBondContact O-CG 3.48Å; M82-P170 VanDerWaalsContact N-CG 3.33Å; P170-R174 HydrophobicContact CB-CB 3.92Å; P170-M175 HydrophobicContact CB-CB 3.97Å; P170-M175 HydrophobicContact CG-CB 3.97Å; P170-M175 HydrophobicContact CG-SD 4.35Å
171C95Very high97.3Very high25 Ų2535.7 Ų35.717%0.16920%0.204CC..  trans-66.3156.6166.671.10000111.6S18 M76 T78 A173 R174 M175S18-C171 VanDerWaalsContact OG-C 3.23Å; S18-C171 VanDerWaalsContact OG-CA 3.24Å; S18-C171 WeakPolarHBondContact OG-CA 3.33Å; M76-C171 HydrophobicContact CG-CB 4.38Å; M76-C171 HydrophobicContact SD-CB 3.87Å; T78-C171 HydrophobicContact CG2-CB 4.48Å; C171-A173 PolarHBondContact O-N 2.63Å; C171-A173 VanDerWaalsContact O-N 3.08Å; C171-R174 PolarHBondContact O-N 3.05Å; C171-M175 PolarHBondContact O-N 3.15Å; C171-M175 VanDerWaalsContact O-N 3.12Å
172A94.2Very high97.2Very high42 Ų4237 Ų3735%0.34721%0.208SC..THydrogen-bonded Turntrans-61.9-22.8-173.300000113.7S18 R174 M175S18-A172 PolarHBondContact OG-N 3.17Å; A172-R174 VanDerWaalsContact C-N 3.26Å; A172-R174 PolarHBondContact O-N 3.35Å; A172-M175 VanDerWaalsContact CA-O 3.29Å; A172-M175 WeakPolarHBondContact CA-O 3.45Å
173A93.3Very high97.1Very high103 Ų10333.9 Ų33.985%0.85119%0.193SC*.THydrogen-bonded Turntrans-71.5-19.3174.300000113.3C171C171-A173 PolarHBondContact O-N 2.63Å; C171-A173 VanDerWaalsContact O-N 3.08Å
174R95.2Very high97.1Very high123 Ų12331.3 Ų31.346%0.46418%0.183SC..THydrogen-bonded Turntrans-104.2-35.1-179.8-67.6178.4178.1-154.61.9112.8T78 S79 V80 P170 C171 A172T78-R174 PolarHBondContact O-NH1 3.29Å; T78-R174 PolarHBondContact O-NH2 3.2Å; S79-R174 PolarHBondContact O-NH1 2.95Å; V80-R174 VanDerWaalsContact C-NH1 3.31Å; V80-R174 WeakPolarHBondContact O-CD 3.41Å; V80-R174 PolarHBondContact O-NH1 3.26Å; P170-R174 HydrophobicContact CB-CB 3.92Å; C171-R174 PolarHBondContact O-N 3.05Å; A172-R174 VanDerWaalsContact C-N 3.26Å; A172-R174 PolarHBondContact O-N 3.35Å
175M96.6Very high97.1Very high32 Ų3231.6 Ų31.616%0.15818%0.184CC..SBendtrans-141.8127.7176.1-174.9174.3-91.900108.7P83 P170 C171 A172 D179 T180P83-M175 HydrophobicContact CG-SD 4.29Å; P170-M175 HydrophobicContact CB-CB 3.97Å; P170-M175 HydrophobicContact CG-CB 3.97Å; P170-M175 HydrophobicContact CG-SD 4.35Å; C171-M175 PolarHBondContact O-N 3.15Å; C171-M175 VanDerWaalsContact O-N 3.12Å; A172-M175 VanDerWaalsContact CA-O 3.29Å; A172-M175 WeakPolarHBondContact CA-O 3.45Å; M175-D179 HydrophobicContact CG-CB 3.79Å; M175-T180 WeakPolarHBondContact CG-OG1 3.44Å
176S96.8Very high97Very high41 Ų4132.8 Ų32.829%0.28719%0.19SC..  trans-63.6155.7-17777.90000111.1E178 D179 T180S176-E178 PolarHBondContact O-N 3.23Å; S176-E178 PolarHBondContact OG-N 3.13Å; S176-D179 WeakPolarHBondContact CB-OD2 3.35Å; S176-D179 PolarHBondContact O-N 3.25Å; S176-D179 PolarHBondContact OG-N 2.84Å; S176-D179 PolarHBondContact OG-OD2 2.77Å; S176-T180 WeakPolarHBondContact O-CB 3.11Å; S176-T180 PolarHBondContact O-N 3.33Å; S176-T180 PolarHBondContact O-OG1 3.2Å
177P96.9Very high97Very high45 Ų4532.9 Ų32.929%0.29219%0.19SC..Hα-helixtrans-57.1-31.3172.5-27.736.5000113.5L21 A181L21-P177 HydrophobicContact CB-CB 4.07Å; L21-P177 HydrophobicContact CB-CG 4.14Å; L21-P177 HydrophobicContact CD1-CG 4.07Å; P177-A181 VanDerWaalsContact O-CB 3.23Å; P177-A181 WeakPolarHBondContact O-CB 3.4Å; P177-A181 PolarHBondContact O-N 2.64Å
178E97.7Very high96.9Very high70 Ų7032.9 Ų32.933%0.32719%0.19SC..Hα-helixtrans-65.1-55.2174.6-171.773.7-156.200111R25 S176 T180 A181 I182R25-E178 IonicContact CZ-OE1 3.18Å; R25-E178 IonicContact CZ-OE2 3.66Å; R25-E178 IonicContact NE-OE1 3.47Å; R25-E178 IonicContact NE-OE2 3.42Å; R25-E178 PolarHBondContact NE-OE2 2.9Å; R25-E178 VanDerWaalsContact NH2-CD 3.33Å; R25-E178 IonicContact NH2-OE1 3.46Å; R25-E178 PolarHBondContact NH2-OE1 2.83Å; R25-E178 IonicContact NH2-OE2 2.8Å; R25-E178 PolarHBondContact NH2-OE2 3.09Å; S176-E178 PolarHBondContact O-N 3.23Å; S176-E178 PolarHBondContact OG-N 3.13Å; E178-T180 VanDerWaalsContact C-N 3.26Å; E178-T180 PolarHBondContact O-N 3.5Å; E178-A181 WeakPolarHBondContact O-CB 3.41Å; E178-A181 PolarHBondContact O-N 3.36Å; E178-A181 VanDerWaalsContact O-N 3.09Å; E178-I182 HydrophobicContact CG-CD1 3.99Å; E178-I182 WeakPolarHBondContact O-CG1 3.12Å; E178-I182 PolarHBondContact O-N 3Å
179D97.4Very high96.8Very high84 Ų8433 Ų3345%0.44919%0.19SC..Hα-helixtrans-63.8-37.5-177-59.4-42.1000110.9M175 S176 I182 S183M175-D179 HydrophobicContact CG-CB 3.79Å; S176-D179 WeakPolarHBondContact CB-OD2 3.35Å; S176-D179 PolarHBondContact O-N 3.25Å; S176-D179 PolarHBondContact OG-N 2.84Å; S176-D179 PolarHBondContact OG-OD2 2.77Å; D179-I182 PolarHBondContact O-N 3.19Å; D179-S183 WeakPolarHBondContact O-CB 3.45Å; D179-S183 PolarHBondContact O-N 2.89Å; D179-S183 PolarHBondContact O-OG 3.1Å
180T97.9Very high96.8Very high1 Ų134.2 Ų34.21%0.00620%0.196CC..Hα-helixtrans-63-45.7174-49.10000110.8A22 V169 M175 S176 E178 S183 L184A22-T180 HydrophobicContact CB-CG2 3.47Å; A22-T180 VanDerWaalsContact CB-CG2 3.47Å; V169-T180 HydrophobicContact CB-CG2 3.71Å; V169-T180 HydrophobicContact CG1-CG2 3.65Å; V169-T180 HydrophobicContact CG2-CG2 4.13Å; M175-T180 WeakPolarHBondContact CG-OG1 3.44Å; S176-T180 WeakPolarHBondContact O-CB 3.11Å; S176-T180 PolarHBondContact O-N 3.33Å; S176-T180 PolarHBondContact O-OG1 3.2Å; E178-T180 VanDerWaalsContact C-N 3.26Å; E178-T180 PolarHBondContact O-N 3.5Å; T180-S183 PolarHBondContact O-N 3.4Å; T180-L184 HydrophobicContact CG2-CD1 4.46Å; T180-L184 WeakPolarHBondContact O-CG 3.11Å; T180-L184 PolarHBondContact O-N 3.14Å
181A98.1Very high96.8Very high0 Ų034.2 Ų34.20%020%0.196CC..Hα-helixtrans-64.8-39.3178.100000112.7R25 L26 I29 P177 E178 S183 L184 L185R25-A181 HydrophobicContact CB-CB 3.87Å; R25-A181 HydrophobicContact CG-CB 3.81Å; L26-A181 HydrophobicContact CB-CB 4.15Å; I29-A181 HydrophobicContact CD1-CB 3.99Å; P177-A181 VanDerWaalsContact O-CB 3.23Å; P177-A181 WeakPolarHBondContact O-CB 3.4Å; P177-A181 PolarHBondContact O-N 2.64Å; E178-A181 WeakPolarHBondContact O-CB 3.41Å; E178-A181 PolarHBondContact O-N 3.36Å; E178-A181 VanDerWaalsContact O-N 3.09Å; A181-S183 VanDerWaalsContact C-N 3.33Å; A181-L184 PolarHBondContact O-N 2.8Å; A181-L185 WeakPolarHBondContact O-CB 3.4Å; A181-L185 PolarHBondContact O-N 2.86Å
182I97Very high97Very high67 Ų6733 Ų3334%0.34419%0.188SC..Hα-helixtrans-62.6-43173.8-68.6168.8000110.1I29 E178 D179 L185 Q186I29-I182 HydrophobicContact CD1-CG1 4.35Å; E178-I182 HydrophobicContact CG-CD1 3.99Å; E178-I182 WeakPolarHBondContact O-CG1 3.12Å; E178-I182 PolarHBondContact O-N 3Å; D179-I182 PolarHBondContact O-N 3.19Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 2.9Å; I182-Q186 WeakPolarHBondContact O-CG 3.35Å; I182-Q186 PolarHBondContact O-N 3.49Å
183S97.3Very high97.1Very high13 Ų1333 Ų339%0.09119%0.187CC..Hα-helixtrans-64.2-44.8177.7-56.70000111.5D179 T180 A181 L185 Q186 I187D179-S183 WeakPolarHBondContact O-CB 3.45Å; D179-S183 PolarHBondContact O-N 2.89Å; D179-S183 PolarHBondContact O-OG 3.1Å; T180-S183 PolarHBondContact O-N 3.4Å; A181-S183 VanDerWaalsContact C-N 3.33Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 2.74Å; S183-Q186 PolarHBondContact O-N 2.98Å; S183-I187 WeakPolarHBondContact O-CG1 3.41Å; S183-I187 PolarHBondContact O-N 3.3Å
184L98.1Very high97.2Very high1 Ų130.5 Ų30.51%0.00516%0.16CC..Hα-helixtrans-60.5-39173.5-72.1175.5000112I5 A22 L26 V74 V167 V169 T180 A181 I187 I188I5-L184 HydrophobicContact CD1-CD1 4.48Å; A22-L184 HydrophobicContact CB-CD1 3.79Å; L26-L184 HydrophobicContact CD2-CB 4.25Å; V74-L184 HydrophobicContact CG1-CD1 4.29Å; V74-L184 HydrophobicContact CG1-CD2 4.32Å; V74-L184 HydrophobicContact CG2-CD1 4.17Å; V74-L184 HydrophobicContact CG2-CD2 3.9Å; V167-L184 HydrophobicContact CB-CD2 4.38Å; V167-L184 HydrophobicContact CG1-CD2 4.07Å; V169-L184 HydrophobicContact CG1-CD2 4.28Å; T180-L184 HydrophobicContact CG2-CD1 4.46Å; T180-L184 WeakPolarHBondContact O-CG 3.11Å; T180-L184 PolarHBondContact O-N 3.14Å; A181-L184 PolarHBondContact O-N 2.8Å; L184-I187 PolarHBondContact O-N 2.89Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.4Å; L184-I188 PolarHBondContact O-N 2.89Å
185L97.5Very high97.3Very high6 Ų628.5 Ų28.53%0.03115%0.154CC..Hα-helixtrans-60.2-49.6173.9179.662.5000110.5L26 I29 W30 Y34 A181 I182 S183 I187 I188 R189L26-L185 HydrophobicContact CD1-CB 3.81Å; L26-L185 HydrophobicContact CD1-CD1 4.13Å; I29-L185 HydrophobicContact CG2-CD2 4.24Å; W30-L185 HydrophobicContact CE3-CD1 4.05Å; W30-L185 HydrophobicContact CZ3-CD1 4.12Å; Y34-L185 HydrophobicContact CE2-CD1 4.36Å; Y34-L185 HydrophobicContact CE2-CD2 3.67Å; A181-L185 WeakPolarHBondContact O-CB 3.4Å; A181-L185 PolarHBondContact O-N 2.86Å; I182-L185 WeakPolarHBondContact O-CB 3.44Å; I182-L185 PolarHBondContact O-N 2.9Å; S183-L185 VanDerWaalsContact C-N 3.31Å; S183-L185 PolarHBondContact O-N 2.74Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 3.01Å; L185-I188 WeakPolarHBondContact O-CB 3.43Å; L185-I188 PolarHBondContact O-N 3.21Å; L185-R189 HydrophobicContact CD1-CG 4.49Å; L185-R189 WeakPolarHBondContact O-CG 3.16Å; L185-R189 PolarHBondContact O-N 3.3Å
186Q97.3Very high97.2Very high25 Ų2530.2 Ų30.212%0.11718%0.18CC..Hα-helixtrans-62.1-39.5178-57.9-53.8-27.400112L131 I136 I182 S183 I188 R189 E190L131-Q186 HydrophobicContact CD2-CB 3.81Å; I136-Q186 HydrophobicContact CD1-CB 4.47Å; I136-Q186 HydrophobicContact CD1-CG 3.87Å; I136-Q186 HydrophobicContact CG1-CB 4.09Å; I136-Q186 HydrophobicContact CG1-CG 4.02Å; I136-Q186 HydrophobicContact CG2-CB 4.44Å; I182-Q186 WeakPolarHBondContact O-CG 3.35Å; I182-Q186 PolarHBondContact O-N 3.49Å; S183-Q186 PolarHBondContact O-N 2.98Å; Q186-I188 PolarHBondContact O-N 3.3Å; Q186-R189 WeakPolarHBondContact O-CB 3.29Å; Q186-R189 PolarHBondContact O-N 2.79Å; Q186-E190 PolarHBondContact O-N 2.82Å; Q186-E190 VanDerWaalsContact O-N 3.07Å
187I98.1Very high97.1Very high2 Ų230.3 Ų30.31%0.0118%0.179CC..Hα-helixtrans-58.5-49173.6-69.6164.5000110.6P83 L85 L131 V167 S183 L184 L185 R189 E190 L191P83-I187 HydrophobicContact CB-CD1 4.02Å; L85-I187 HydrophobicContact CD1-CD1 4.23Å; L85-I187 HydrophobicContact CD1-CG1 4.45Å; L85-I187 HydrophobicContact CD2-CG2 4.39Å; L131-I187 HydrophobicContact CD1-CG1 3.73Å; L131-I187 HydrophobicContact CD2-CG1 4.25Å; V167-I187 HydrophobicContact CG1-CD1 4.03Å; V167-I187 HydrophobicContact CG2-CG2 4.32Å; S183-I187 WeakPolarHBondContact O-CG1 3.41Å; S183-I187 PolarHBondContact O-N 3.3Å; L184-I187 PolarHBondContact O-N 2.89Å; L185-I187 VanDerWaalsContact C-N 3.31Å; L185-I187 PolarHBondContact O-N 3.01Å; I187-R189 VanDerWaalsContact C-N 3.25Å; I187-R189 PolarHBondContact O-N 3.27Å; I187-E190 PolarHBondContact O-N 2.97Å; I187-L191 HydrophobicContact CG2-CD1 3.73Å; I187-L191 HydrophobicContact CG2-CG 4.13Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.87Å
188I97.7Very high97Very high1 Ų133.8 Ų33.81%0.00520%0.199CC..Hα-helixtrans-53.7-46.8176.2-73.6163.2000110.1I3 I5 L26 L43 I72 L184 L185 Q186 E190 L191 T192 I199I3-I188 HydrophobicContact CD1-CG2 4Å; I5-I188 HydrophobicContact CD1-CD1 4.15Å; L26-I188 HydrophobicContact CD1-CD1 4.31Å; L26-I188 HydrophobicContact CD2-CD1 3.46Å; L26-I188 VanDerWaalsContact CD2-CD1 3.46Å; L26-I188 HydrophobicContact CG-CD1 4.44Å; L43-I188 HydrophobicContact CD1-CD1 4.37Å; I72-I188 HydrophobicContact CD1-CB 4.43Å; I72-I188 HydrophobicContact CD1-CD1 4.39Å; I72-I188 HydrophobicContact CD1-CG1 3.42Å; I72-I188 VanDerWaalsContact CD1-CG1 3.42Å; L184-I188 VanDerWaalsContact O-CG1 3.29Å; L184-I188 WeakPolarHBondContact O-CG1 3.4Å; L184-I188 PolarHBondContact O-N 2.89Å; L185-I188 WeakPolarHBondContact O-CB 3.43Å; L185-I188 PolarHBondContact O-N 3.21Å; Q186-I188 PolarHBondContact O-N 3.3Å; I188-E190 PolarHBondContact O-N 3.2Å; I188-L191 PolarHBondContact O-N 3.08Å; I188-T192 HydrophobicContact CG2-CG2 4.08Å; I188-T192 VanDerWaalsContact O-CG2 3.29Å; I188-T192 WeakPolarHBondContact O-CG2 3.37Å; I188-T192 PolarHBondContact O-N 3.05Å; I188-T192 PolarHBondContact O-OG1 3.47Å; I188-I199 HydrophobicContact CG2-CD1 3.77Å
189R96.4Very high96.8Very high11 Ų1130.5 Ų30.54%0.04218%0.184CC..Hα-helixtrans-61.6-42.8-176.8-63.7176.765.6-161.1-2.4112.7L185 Q186 I187 T192 A193 I199 P200 Y201L185-R189 HydrophobicContact CD1-CG 4.49Å; L185-R189 WeakPolarHBondContact O-CG 3.16Å; L185-R189 PolarHBondContact O-N 3.3Å; Q186-R189 WeakPolarHBondContact O-CB 3.29Å; Q186-R189 PolarHBondContact O-N 2.79Å; I187-R189 VanDerWaalsContact C-N 3.25Å; I187-R189 PolarHBondContact O-N 3.27Å; R189-T192 PolarHBondContact O-OG1 3.07Å; R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 2.98Å; R189-I199 HydrophobicContact CB-CB 4.43Å; R189-I199 HydrophobicContact CG-CB 3.78Å; R189-I199 HydrophobicContact CG-CD1 4.22Å; R189-I199 HydrophobicContact CG-CG2 3.72Å; R189-I199 PolarHBondContact NE-O 3.03Å; R189-I199 PolarHBondContact NH2-O 2.67Å; R189-P200 PolarHBondContact NH2-O 2.86Å; R189-Y201 VanDerWaalsContact NH2-CZ 3.34Å
190E97.4Very high96.4Very high27 Ų2729 Ų2913%0.12618%0.179CC..Hα-helixtrans-70.4-39.3176.9-62.7-53.1148.900111.5A127 K130 L131 Q186 I187 I188 A193 L194A127-E190 HydrophobicContact CB-CB 4.05Å; K130-E190 HydrophobicContact CB-CG 4.09Å; K130-E190 VanDerWaalsContact CB-OE2 3.24Å; K130-E190 WeakPolarHBondContact CB-OE2 3.41Å; L131-E190 HydrophobicContact CD2-CG 3.84Å; L131-E190 HydrophobicContact CG-CB 4.5Å; L131-E190 HydrophobicContact CG-CG 3.96Å; Q186-E190 PolarHBondContact O-N 2.82Å; Q186-E190 VanDerWaalsContact O-N 3.07Å; I187-E190 PolarHBondContact O-N 2.97Å; I188-E190 PolarHBondContact O-N 3.2Å; E190-A193 PolarHBondContact O-N 3.24Å; E190-L194 WeakPolarHBondContact O-CG 3.38Å; E190-L194 PolarHBondContact O-N 3.46Å
191L98Very high95.7Very high0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-64.8-39.8176-67.1179.4000112.5L70 I72 M122 L124 A127 V165 I187 I188 A193 L194L70-L191 HydrophobicContact CD2-CB 3.85Å; I72-L191 HydrophobicContact CD1-CD1 3.85Å; I72-L191 HydrophobicContact CG1-CD1 4.07Å; M122-L191 HydrophobicContact CE-CB 4.14Å; M122-L191 HydrophobicContact CE-CD2 3.86Å; L124-L191 HydrophobicContact CD2-CD2 3.76Å; A127-L191 HydrophobicContact CB-CD2 4.28Å; V165-L191 HydrophobicContact CB-CD1 4.13Å; V165-L191 HydrophobicContact CG1-CD1 4.41Å; V165-L191 HydrophobicContact CG2-CD1 3.9Å; V165-L191 HydrophobicContact CG2-CD2 3.94Å; I187-L191 HydrophobicContact CG2-CD1 3.73Å; I187-L191 HydrophobicContact CG2-CG 4.13Å; I187-L191 WeakPolarHBondContact O-CB 3.45Å; I187-L191 VanDerWaalsContact O-CG 3.27Å; I187-L191 WeakPolarHBondContact O-CG 3.34Å; I187-L191 PolarHBondContact O-N 2.87Å; I188-L191 PolarHBondContact O-N 3.08Å; L191-A193 VanDerWaalsContact C-N 3.35Å; L191-L194 HydrophobicContact CD2-CD1 4.44Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.12Å
192T97.2Very high94.7Very high0 Ų044.6 Ų44.60%024%0.244CC..Hα-helixtrans-69-36174.962.70000111.3M1 I3 L70 I188 R189 L194 K195 G196 V197 I199M1-T192 HydrophobicContact CE-CG2 3.84Å; M1-T192 HydrophobicContact SD-CG2 3.58Å; M1-T192 VanDerWaalsContact SD-CG2 3.58Å; I3-T192 HydrophobicContact CD1-CG2 3.5Å; I3-T192 VanDerWaalsContact CD1-CG2 3.5Å; I3-T192 HydrophobicContact CG1-CG2 4.44Å; L70-T192 HydrophobicContact CD2-CG2 4.12Å; I188-T192 HydrophobicContact CG2-CG2 4.08Å; I188-T192 VanDerWaalsContact O-CG2 3.29Å; I188-T192 WeakPolarHBondContact O-CG2 3.37Å; I188-T192 PolarHBondContact O-N 3.05Å; I188-T192 PolarHBondContact O-OG1 3.47Å; R189-T192 PolarHBondContact O-OG1 3.07Å; T192-L194 VanDerWaalsContact C-N 3.29Å; T192-L194 PolarHBondContact O-N 3.47Å; T192-K195 CarbonylContact O-C 3.57Å; T192-K195 WeakPolarHBondContact O-CA 3.41Å; T192-K195 PolarHBondContact O-N 2.86Å; T192-G196 PolarHBondContact O-N 3.33Å; T192-V197 CarbonylContact C-O 3.36Å; T192-V197 WeakPolarHBondContact CB-O 3.26Å; T192-V197 PolarHBondContact O-N 2.9Å; T192-V197 VanDerWaalsContact O-O 3.08Å; T192-V197 PolarHBondContact OG1-O 3.21Å; T192-I199 HydrophobicContact CG2-CD1 3.96Å
193A96.8Very high94.6Very high40 Ų4043.5 Ų43.533%0.33124%0.239SC..Hα-helixtrans-63.5-34.8176.400000112R189 E190 L191 K195 G196 V197R189-A193 WeakPolarHBondContact O-CB 3.24Å; R189-A193 PolarHBondContact O-N 2.98Å; E190-A193 PolarHBondContact O-N 3.24Å; L191-A193 VanDerWaalsContact C-N 3.35Å; A193-K195 PolarHBondContact O-N 3.47Å; A193-G196 PolarHBondContact O-N 3.02Å; A193-V197 WeakPolarHBondContact CA-O 3.07Å; A193-V197 PolarHBondContact N-O 3.46Å; A193-V197 VanDerWaalsContact N-O 3.09Å
194L96.8Very high94.4Very high52 Ų5245.1 Ų45.127%0.27225%0.246SC..Hα-helixtrans-60.3-25.9170.4-65-175.7000112.9M122 N123 K126 A127 E190 L191 T192M122-L194 HydrophobicContact CE-CD1 4.43Å; N123-L194 HydrophobicContact CB-CD1 4.44Å; N123-L194 WeakPolarHBondContact O-CD1 3.2Å; K126-L194 HydrophobicContact CB-CD2 4.13Å; K126-L194 HydrophobicContact CD-CD2 3.65Å; K126-L194 HydrophobicContact CG-CD2 3.91Å; A127-L194 HydrophobicContact CB-CD1 4.07Å; E190-L194 WeakPolarHBondContact O-CG 3.38Å; E190-L194 PolarHBondContact O-N 3.46Å; L191-L194 HydrophobicContact CD2-CD1 4.44Å; L191-L194 WeakPolarHBondContact O-CB 3.49Å; L191-L194 PolarHBondContact O-N 3.12Å; T192-L194 VanDerWaalsContact C-N 3.29Å; T192-L194 PolarHBondContact O-N 3.47Å
195K95.9Very high94.2Very high80 Ų8047.5 Ų47.535%0.34826%0.26SS..THydrogen-bonded Turntrans-97.713.2175.8-50.9-164.683.869.40112.9M1 D69 M122 D162 T192 A193 V197M1-K195 HydrophobicContact CE-CB 4.07Å; M1-K195 HydrophobicContact CE-CD 3.81Å; M1-K195 HydrophobicContact CE-CG 4.32Å; D69-K195 WeakPolarHBondContact O-CE 3.46Å; M122-K195 HydrophobicContact CE-CD 4.46Å; M122-K195 HydrophobicContact CE-CG 4.4Å; D162-K195 PolarHBondContact O-NZ 2.73Å; T192-K195 CarbonylContact O-C 3.57Å; T192-K195 WeakPolarHBondContact O-CA 3.41Å; T192-K195 PolarHBondContact O-N 2.86Å; A193-K195 PolarHBondContact O-N 3.47Å; K195-V197 VanDerWaalsContact C-N 3.34Å; K195-V197 PolarHBondContact O-N 2.77Å
196G95.2Very high94Very high68 Ų6849.9 Ų49.970%0.70127%0.273SS*.THydrogen-bonded Turntrans78.611.1177.500000115.1T192 A193T192-G196 PolarHBondContact O-N 3.33Å; A193-G196 PolarHBondContact O-N 3.02Å
197V95.2Very high93.8Very high44 Ų4451.5 Ų51.527%0.26728%0.283SS..  trans-111.3114.5179.21790000109.9M1 I41 T192 A193 K195M1-V197 HydrophobicContact CB-CG1 4.47Å; M1-V197 HydrophobicContact CB-CG2 4.44Å; M1-V197 HydrophobicContact SD-CB 3.66Å; M1-V197 HydrophobicContact SD-CG1 3.83Å; M1-V197 HydrophobicContact SD-CG2 3.75Å; I41-V197 HydrophobicContact CD1-CG1 3.66Å; I41-V197 HydrophobicContact CG1-CG1 4.16Å; T192-V197 CarbonylContact C-O 3.36Å; T192-V197 WeakPolarHBondContact CB-O 3.26Å; T192-V197 PolarHBondContact O-N 2.9Å; T192-V197 VanDerWaalsContact O-O 3.08Å; T192-V197 PolarHBondContact OG1-O 3.21Å; A193-V197 WeakPolarHBondContact CA-O 3.07Å; A193-V197 PolarHBondContact N-O 3.46Å; A193-V197 VanDerWaalsContact N-O 3.09Å; K195-V197 VanDerWaalsContact C-N 3.34Å; K195-V197 PolarHBondContact O-N 2.77Å
198V93.4Very high93.6Very high117 Ų11754.8 Ų54.871%0.70930%0.301SS*.PPolyproline II helixtrans-96125.8-179.2-179.30000110.1
199I94.1Very high93.3Very high2 Ų258.6 Ų58.61%0.0132%0.322CS..PPolyproline II helixtrans-96.7125.2168.8-68.3163.8000107.9W30 Y34 I41 I188 R189 T192W30-I199 HydrophobicContact CH2-CD1 3.9Å; W30-I199 HydrophobicContact CH2-CG1 4.32Å; W30-I199 HydrophobicContact CZ3-CD1 4.01Å; W30-I199 HydrophobicContact CZ3-CG2 4.41Å; Y34-I199 HydrophobicContact CD1-CG2 4.07Å; Y34-I199 HydrophobicContact CE1-CG2 3.93Å; I41-I199 HydrophobicContact CD1-CD1 4.16Å; I41-I199 HydrophobicContact CD1-CG1 3.49Å; I41-I199 VanDerWaalsContact CD1-CG1 3.49Å; I188-I199 HydrophobicContact CG2-CD1 3.77Å; R189-I199 HydrophobicContact CB-CB 4.43Å; R189-I199 HydrophobicContact CG-CB 3.78Å; R189-I199 HydrophobicContact CG-CD1 4.22Å; R189-I199 HydrophobicContact CG-CG2 3.72Å; R189-I199 PolarHBondContact NE-O 3.03Å; R189-I199 PolarHBondContact NH2-O 2.67Å; T192-I199 HydrophobicContact CG2-CD1 3.96Å
200P89.2Confident93Very high53 Ų5362.3 Ų62.334%0.34434%0.344SS..PPolyproline II helixtrans-68.6157-174.828.6-35.2000112.9Y34 R189Y34-P200 WeakPolarHBondContact CE1-O 3.19Å; R189-P200 PolarHBondContact NH2-O 2.86Å
201Y82.2Confident92.7Very high143 Ų14365.3 Ų65.356%0.56136%0.362SS*.PPolyproline II helixtrans-75.9133.7166.1-71.7-89.8000107.9N134 R189N134-Y201 PolarHBondContact ND2-OH 2.78Å; R189-Y201 VanDerWaalsContact NH2-CZ 3.34Å
202K77.8Confident92.2Very high184 Ų18471.2 Ų71.280%0.840%0.395SS*.  trans-136.20177.3-78-118.8176.2172.70110.9T33 Y34 A37T33-K202 HydrophobicContact CG2-CB 3.51Å; T33-K202 HydrophobicContact CG2-CD 4.25Å; T33-K202 HydrophobicContact CG2-CG 4.25Å; Y34-K202 HydrophobicContact CE1-CB 4.2Å; Y34-K202 HydrophobicContact CE1-CG 4.22Å; A37-K202 HydrophobicContact CB-CD 4.33Å; A37-K202 VanDerWaalsContact CB-CE 3.49Å

Retrieved 202 of 202 residues in 72 ms (Link to these results)

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