A0A3Q0KEY4_SCHMA Loading...

Putative dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KEY4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 212 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
1M55.4Low87.4Confident160 Ų16054.3 Ų54.379%0.78830%0.301SS*.  0-39.80-87.1174.5-172.700110.9A3 F4M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.13Å; M1-F4 PolarHBondContact O-N 2.83Å
2D75Confident88Confident100 Ų10049.9 Ų49.954%0.53528%0.277SS..Hα-helixtrans-59.2-33.2-174.8-61.6-54.1000115.4F4 V5 E6D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 2.77Å; D2-V5 WeakPolarHBondContact O-CA 3.12Å; D2-V5 WeakPolarHBondContact O-CB 3.02Å; D2-V5 PolarHBondContact O-N 3.27Å; D2-E6 WeakPolarHBondContact O-CG 3.43Å; D2-E6 PolarHBondContact O-N 3.27Å
3A87Confident88.2Confident72 Ų7256.8 Ų56.860%0.59531%0.306SS*.Hα-helixtrans-57.2-37.2-179.800000114.2M1 A7M1-A3 VanDerWaalsContact C-N 3.31Å; M1-A3 PolarHBondContact O-N 3.13Å; A3-A7 VanDerWaalsContact O-CB 3.27Å; A3-A7 WeakPolarHBondContact O-CB 3.31Å; A3-A7 PolarHBondContact O-N 3.19Å
4F90.7Very high88.2Confident57 Ų5760.4 Ų60.425%0.2533%0.325CS..Hα-helixtrans-70.1-39.3175.8-79.7-78.7000111.2M1 D2 A7 F8 W41 L44 F45 F58 L62M1-F4 PolarHBondContact O-N 2.83Å; D2-F4 VanDerWaalsContact C-N 3.29Å; D2-F4 PolarHBondContact O-N 2.77Å; F4-A7 PolarHBondContact O-N 2.84Å; F4-F8 WeakPolarHBondContact O-CB 3.22Å; F4-F8 PolarHBondContact O-N 2.98Å; F4-W41 AromaticContact CD1-CE2 3.76Å; F4-W41 HydrophobicContact CD1-CH2 4.41Å; F4-W41 AromaticContact CD1-CZ2 3.61Å; F4-W41 HydrophobicContact CD1-CZ2 3.61Å; F4-W41 AromaticContact CD1-NE1 3.86Å; F4-W41 AromaticContact CE1-CE2 3.98Å; F4-W41 HydrophobicContact CE1-CZ2 4.29Å; F4-W41 AromaticContact CE1-NE1 3.64Å; F4-L44 HydrophobicContact CE1-CD1 4.4Å; F4-L44 HydrophobicContact CZ-CD1 4.26Å; F4-F45 AromaticContact CD1-CE2 3.81Å; F4-F45 HydrophobicContact CD1-CE2 3.81Å; F4-F45 AromaticContact CD1-CZ 3.83Å; F4-F45 HydrophobicContact CD1-CZ 3.83Å; F4-F45 AromaticContact CE1-CE2 3.91Å; F4-F45 HydrophobicContact CE1-CE2 3.91Å; F4-F45 HydrophobicContact CE1-CZ 4.08Å; F4-F45 HydrophobicContact CG-CZ 4.41Å; F4-F58 HydrophobicContact CB-CE2 4.06Å; F4-F58 HydrophobicContact CB-CZ 3.74Å; F4-F58 WeakPolarHBondContact O-CZ 3.44Å; F4-L62 HydrophobicContact CB-CD1 3.93Å
5V91.5Very high88.1Confident6 Ų661.4 Ų61.44%0.03632%0.322CS..Hα-helixtrans-67.4-44.8-179.6175.10000110.4D2 F8 F9 F58 L64 L69D2-V5 WeakPolarHBondContact O-CA 3.12Å; D2-V5 WeakPolarHBondContact O-CB 3.02Å; D2-V5 PolarHBondContact O-N 3.27Å; V5-F8 WeakPolarHBondContact O-CB 3.5Å; V5-F8 PolarHBondContact O-N 3.06Å; V5-F9 HydrophobicContact CG1-CD2 3.89Å; V5-F9 HydrophobicContact CG1-CE2 3.33Å; V5-F9 HydrophobicContact CG1-CZ 4.2Å; V5-F9 WeakPolarHBondContact O-CD2 3.27Å; V5-F9 PolarHBondContact O-N 3.45Å; V5-F9 VanDerWaalsContact O-N 3.11Å; V5-F58 HydrophobicContact CG2-CE1 4.16Å; V5-F58 HydrophobicContact CG2-CZ 4.48Å; V5-L64 HydrophobicContact CG2-CD1 3.57Å; V5-L69 HydrophobicContact CG1-CD2 3.93Å; V5-L69 HydrophobicContact CG1-CG 4.4Å; V5-L69 HydrophobicContact CG2-CD2 4.38Å
6E91.2Very high88.3Confident129 Ų12960.5 Ų60.560%0.60332%0.322SS*.Hα-helixtrans-60.7-44.9174.1-72.2173.6-174.500111.5D2 F8 F9 A10D2-E6 WeakPolarHBondContact O-CG 3.43Å; D2-E6 PolarHBondContact O-N 3.27Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.37Å; E6-F9 PolarHBondContact O-N 2.96Å; E6-A10 WeakPolarHBondContact O-CB 3.42Å; E6-A10 PolarHBondContact O-N 3.23Å
7A93.8Very high88.6Confident8 Ų860.1 Ų60.17%0.06632%0.318CS..Hα-helixtrans-60.6-44.4174.800000111.2A3 F4 F9 A10 I11 Y27 W41A3-A7 VanDerWaalsContact O-CB 3.27Å; A3-A7 WeakPolarHBondContact O-CB 3.31Å; A3-A7 PolarHBondContact O-N 3.19Å; F4-A7 PolarHBondContact O-N 2.84Å; A7-F9 PolarHBondContact O-N 3.03Å; A7-A10 PolarHBondContact O-N 3.03Å; A7-A10 VanDerWaalsContact O-N 3.13Å; A7-I11 HydrophobicContact CB-CD1 4.43Å; A7-I11 VanDerWaalsContact O-CD1 3.24Å; A7-I11 WeakPolarHBondContact O-CD1 3.2Å; A7-I11 WeakPolarHBondContact O-CG1 3.44Å; A7-I11 PolarHBondContact O-N 3.3Å; A7-Y27 HydrophobicContact CB-CE1 4.32Å; A7-W41 HydrophobicContact CB-CH2 4.33Å; A7-W41 HydrophobicContact CB-CZ2 3.87Å
8F95.2Very high89Confident0 Ų059.2 Ų59.20%032%0.315CS..Hα-helixtrans-55.1-52.1178.1-165.7-72.7000111.1F4 V5 E6 A10 I11 D12 I19 W41 I53 L55 F58 Y73F4-F8 WeakPolarHBondContact O-CB 3.22Å; F4-F8 PolarHBondContact O-N 2.98Å; V5-F8 WeakPolarHBondContact O-CB 3.5Å; V5-F8 PolarHBondContact O-N 3.06Å; E6-F8 VanDerWaalsContact C-N 3.34Å; E6-F8 PolarHBondContact O-N 3.37Å; F8-A10 VanDerWaalsContact C-N 3.29Å; F8-A10 PolarHBondContact O-N 3.03Å; F8-I11 PolarHBondContact O-N 3.06Å; F8-I11 VanDerWaalsContact O-N 3.16Å; F8-D12 HydrophobicContact CD1-CB 4.21Å; F8-D12 HydrophobicContact CE1-CB 3.96Å; F8-D12 WeakPolarHBondContact O-CB 3.39Å; F8-D12 PolarHBondContact O-N 3.39Å; F8-I19 HydrophobicContact CB-CD1 4.29Å; F8-I19 HydrophobicContact CD1-CD1 3.99Å; F8-I19 HydrophobicContact CD2-CD1 3.4Å; F8-I19 HydrophobicContact CD2-CG1 4.42Å; F8-I19 HydrophobicContact CE1-CD1 4.07Å; F8-I19 HydrophobicContact CE1-CG1 4.29Å; F8-I19 HydrophobicContact CE2-CD1 3.52Å; F8-I19 HydrophobicContact CE2-CG1 4.09Å; F8-I19 HydrophobicContact CG-CD1 3.64Å; F8-I19 HydrophobicContact CZ-CD1 3.84Å; F8-I19 HydrophobicContact CZ-CG1 4Å; F8-W41 HydrophobicContact CB-CH2 4.35Å; F8-W41 HydrophobicContact CD2-CH2 4.47Å; F8-W41 HydrophobicContact CD2-CZ3 4.23Å; F8-I53 HydrophobicContact CE2-CG2 4.26Å; F8-L55 HydrophobicContact CD1-CD1 3.94Å; F8-L55 HydrophobicContact CE1-CB 4.2Å; F8-L55 HydrophobicContact CE1-CD1 3.63Å; F8-L55 HydrophobicContact CE1-CG 4.49Å; F8-L55 HydrophobicContact CE2-CD1 4.37Å; F8-L55 HydrophobicContact CG-CD1 4.47Å; F8-L55 HydrophobicContact CZ-CB 3.88Å; F8-L55 HydrophobicContact CZ-CD1 3.88Å; F8-F58 HydrophobicContact CB-CE1 4.23Å; F8-F58 HydrophobicContact CB-CE2 4.42Å; F8-F58 HydrophobicContact CB-CZ 4.03Å; F8-F58 HydrophobicContact CD2-CB 4.14Å; F8-F58 AromaticContact CD2-CD1 3.88Å; F8-F58 HydrophobicContact CD2-CD1 3.88Å; F8-F58 AromaticContact CD2-CD2 3.65Å; F8-F58 HydrophobicContact CD2-CD2 3.65Å; F8-F58 HydrophobicContact CD2-CE1 4.11Å; F8-F58 AromaticContact CD2-CE2 3.9Å; F8-F58 HydrophobicContact CD2-CE2 3.9Å; F8-F58 AromaticContact CD2-CG 3.62Å; F8-F58 HydrophobicContact CD2-CG 3.62Å; F8-F58 HydrophobicContact CD2-CZ 4.11Å; F8-F58 HydrophobicContact CE2-CB 3.88Å; F8-F58 HydrophobicContact CE2-CD1 4.35Å; F8-F58 HydrophobicContact CE2-CD2 4.17Å; F8-F58 AromaticContact CE2-CG 3.89Å; F8-F58 HydrophobicContact CE2-CG 3.89Å; F8-F58 HydrophobicContact CG-CD1 4.45Å; F8-F58 HydrophobicContact CG-CE1 4.38Å; F8-F58 HydrophobicContact CG-CZ 4.45Å; F8-Y73 WeakPolarHBondContact CD1-OH 3.42Å; F8-Y73 VanDerWaalsContact CE1-OH 3.3Å; F8-Y73 WeakPolarHBondContact CE1-OH 3.5Å
9F92.5Very high89.4Confident19 Ų1956.1 Ų56.18%0.08330%0.299CS..Hα-helixtrans-64.4-31.2178.8-66.4-54.6000113.5V5 E6 A7 I11 L69 K72 Y73V5-F9 HydrophobicContact CG1-CD2 3.89Å; V5-F9 HydrophobicContact CG1-CE2 3.33Å; V5-F9 HydrophobicContact CG1-CZ 4.2Å; V5-F9 WeakPolarHBondContact O-CD2 3.27Å; V5-F9 PolarHBondContact O-N 3.45Å; V5-F9 VanDerWaalsContact O-N 3.11Å; E6-F9 PolarHBondContact O-N 2.96Å; A7-F9 PolarHBondContact O-N 3.03Å; F9-I11 VanDerWaalsContact C-N 3.32Å; F9-L69 HydrophobicContact CZ-CB 4.19Å; F9-L69 HydrophobicContact CZ-CD2 4.11Å; F9-L69 HydrophobicContact CZ-CG 4.14Å; F9-K72 HydrophobicContact CE1-CB 4.21Å; F9-K72 HydrophobicContact CE2-CB 3.93Å; F9-K72 HydrophobicContact CE2-CD 3.49Å; F9-K72 VanDerWaalsContact CE2-CD 3.49Å; F9-K72 HydrophobicContact CE2-CG 4.37Å; F9-K72 HydrophobicContact CZ-CB 3.54Å; F9-K72 HydrophobicContact CZ-CD 3.78Å; F9-K72 HydrophobicContact CZ-CG 4.25Å; F9-Y73 HydrophobicContact CD1-CD1 4.14Å; F9-Y73 HydrophobicContact CD1-CD2 4.35Å; F9-Y73 AromaticContact CD1-CE1 3.64Å; F9-Y73 HydrophobicContact CD1-CE1 3.64Å; F9-Y73 AromaticContact CD1-CE2 3.86Å; F9-Y73 HydrophobicContact CD1-CE2 3.86Å; F9-Y73 HydrophobicContact CD1-CG 4.47Å; F9-Y73 AromaticContact CD1-CZ 3.46Å; F9-Y73 VanDerWaalsContact CD1-CZ 3.46Å; F9-Y73 HydrophobicContact CE1-CD1 4.29Å; F9-Y73 AromaticContact CE1-CD2 3.73Å; F9-Y73 HydrophobicContact CE1-CD2 3.73Å; F9-Y73 HydrophobicContact CE1-CE1 4.01Å; F9-Y73 AromaticContact CE1-CE2 3.39Å; F9-Y73 HydrophobicContact CE1-CE2 3.39Å; F9-Y73 HydrophobicContact CE1-CG 4.16Å; F9-Y73 AromaticContact CE1-CZ 3.53Å
10A93.5Very high89.7Confident38 Ų3855.6 Ų55.631%0.31430%0.298SS..Hα-helixtrans-75-24.5177.600000113E6 A7 F8 Q13 Y27E6-A10 WeakPolarHBondContact O-CB 3.42Å; E6-A10 PolarHBondContact O-N 3.23Å; A7-A10 PolarHBondContact O-N 3.03Å; A7-A10 VanDerWaalsContact O-N 3.13Å; F8-A10 VanDerWaalsContact C-N 3.29Å; F8-A10 PolarHBondContact O-N 3.03Å; A10-Q13 WeakPolarHBondContact O-CG 3.35Å; A10-Q13 PolarHBondContact O-NE2 3.48Å; A10-Q13 VanDerWaalsContact O-NE2 3.14Å; A10-Y27 HydrophobicContact CB-CD2 4.27Å; A10-Y27 HydrophobicContact CB-CE2 3.57Å
11I96Very high90Very high8 Ų854.5 Ų54.54%0.04129%0.292CS..Hα-helixtrans-85.2-50.2177-59.8156.8000110.5A7 F8 F9 Q13 I19 E23 L24 Y27 W41A7-I11 HydrophobicContact CB-CD1 4.43Å; A7-I11 VanDerWaalsContact O-CD1 3.24Å; A7-I11 WeakPolarHBondContact O-CD1 3.2Å; A7-I11 WeakPolarHBondContact O-CG1 3.44Å; A7-I11 PolarHBondContact O-N 3.3Å; F8-I11 PolarHBondContact O-N 3.06Å; F8-I11 VanDerWaalsContact O-N 3.16Å; F9-I11 VanDerWaalsContact C-N 3.32Å; I11-Q13 PolarHBondContact O-N 3.34Å; I11-I19 HydrophobicContact CB-CD1 3.82Å; I11-I19 HydrophobicContact CB-CG1 4.2Å; I11-I19 HydrophobicContact CD1-CD1 4.08Å; I11-I19 HydrophobicContact CG2-CB 4.26Å; I11-I19 HydrophobicContact CG2-CD1 3.92Å; I11-I19 HydrophobicContact CG2-CG1 3.85Å; I11-I19 HydrophobicContact CG2-CG2 3.5Å; I11-E23 HydrophobicContact CG2-CB 3.76Å; I11-L24 HydrophobicContact CD1-CD1 3.66Å; I11-Y27 HydrophobicContact CD1-CD1 4.07Å; I11-Y27 HydrophobicContact CD1-CG 4.12Å; I11-Y27 HydrophobicContact CG1-CD1 3.88Å; I11-Y27 HydrophobicContact CG1-CD2 3.63Å; I11-Y27 HydrophobicContact CG1-CE1 4.48Å; I11-Y27 HydrophobicContact CG1-CE2 4.27Å; I11-Y27 HydrophobicContact CG1-CG 3.41Å; I11-Y27 VanDerWaalsContact CG1-CG 3.41Å; I11-W41 HydrophobicContact CD1-CH2 4.18Å; I11-W41 HydrophobicContact CD1-CZ2 4.47Å; I11-W41 HydrophobicContact CD1-CZ3 4.48Å
12D94.5Very high91.9Very high2 Ų252.6 Ų52.61%0.01129%0.285CS..  trans-77.767.7-179.3-177.824.4000111.8F8 R15 S16 E17 I19 Y73F8-D12 HydrophobicContact CD1-CB 4.21Å; F8-D12 HydrophobicContact CE1-CB 3.96Å; F8-D12 WeakPolarHBondContact O-CB 3.39Å; F8-D12 PolarHBondContact O-N 3.39Å; D12-R15 PolarHBondContact O-N 3.32Å; D12-R15 VanDerWaalsContact OD1-CA 3.29Å; D12-R15 WeakPolarHBondContact OD1-CA 3.29Å; D12-R15 PolarHBondContact OD1-N 2.99Å; D12-R15 VanDerWaalsContact OD1-N 3.12Å; D12-S16 PolarHBondContact OD1-N 2.96Å; D12-S16 PolarHBondContact OD1-OG 3.29Å; D12-E17 VanDerWaalsContact OD2-CA 3.27Å; D12-E17 WeakPolarHBondContact OD2-CA 3.44Å; D12-E17 PolarHBondContact OD2-N 3.35Å; D12-I19 HydrophobicContact CB-CG1 4.13Å; D12-Y73 VanDerWaalsContact OD2-CZ 3.24Å; D12-Y73 PolarHBondContact OD2-OH 2.93Å
13Q89.9Confident93Very high140 Ų14050.3 Ų50.365%0.65427%0.271SS*.SBendtrans-74.3-28.5-175.8-69176.622.700113.1A10 I11 R15A10-Q13 WeakPolarHBondContact O-CG 3.35Å; A10-Q13 PolarHBondContact O-NE2 3.48Å; A10-Q13 VanDerWaalsContact O-NE2 3.14Å; I11-Q13 PolarHBondContact O-N 3.34Å; Q13-R15 VanDerWaalsContact C-N 3.26Å
14D88.4Confident93.4Very high106 Ų10646.9 Ų46.957%0.56724%0.243SC*.SBendtrans-82.7-8176.476.4-16.3000112.6S16D14-S16 PolarHBondContact O-N 2.91Å; D14-S16 VanDerWaalsContact OD1-CB 3.24Å; D14-S16 WeakPolarHBondContact OD1-CB 3.11Å; D14-S16 PolarHBondContact OD1-N 3.49Å; D14-S16 PolarHBondContact OD1-OG 3.43Å
15R86.6Confident93.6Very high76 Ų7648.6 Ų48.629%0.28725%0.251SS..  trans60.433.6178.6-48.8175.6167-162.5-7.1112.1D12 Q13 E17 Y73 E77D12-R15 PolarHBondContact O-N 3.32Å; D12-R15 VanDerWaalsContact OD1-CA 3.29Å; D12-R15 WeakPolarHBondContact OD1-CA 3.29Å; D12-R15 PolarHBondContact OD1-N 2.99Å; D12-R15 VanDerWaalsContact OD1-N 3.12Å; Q13-R15 VanDerWaalsContact C-N 3.26Å; R15-E17 PolarHBondContact O-N 2.86Å; R15-Y73 HydrophobicContact CB-CD1 4Å; R15-Y73 HydrophobicContact CB-CE1 4.05Å; R15-Y73 HydrophobicContact CG-CD1 3.7Å; R15-Y73 HydrophobicContact CG-CE1 3.9Å; R15-Y73 PolarHBondContact NH1-O 3.4Å; R15-Y73 PolarHBondContact NH2-O 2.89Å; R15-E77 IonicContact CZ-OE2 3.11Å; R15-E77 VanDerWaalsContact NH1-CB 3.3Å; R15-E77 VanDerWaalsContact NH1-CG 3.34Å; R15-E77 IonicContact NH1-OE1 2.62Å; R15-E77 IonicContact NH1-OE2 3.95Å; R15-E77 PolarHBondContact NH1-OE2 3.14Å; R15-E77 VanDerWaalsContact NH2-N 3.14Å
16S91.3Very high93.9Very high47 Ų4752.7 Ų52.733%0.32928%0.277SS..  trans-67.8-8.6173.760.60000112.5D12 D14 T18D12-S16 PolarHBondContact OD1-N 2.96Å; D12-S16 PolarHBondContact OD1-OG 3.29Å; D14-S16 PolarHBondContact O-N 2.91Å; D14-S16 VanDerWaalsContact OD1-CB 3.24Å; D14-S16 WeakPolarHBondContact OD1-CB 3.11Å; D14-S16 PolarHBondContact OD1-N 3.49Å; D14-S16 PolarHBondContact OD1-OG 3.43Å; S16-T18 WeakPolarHBondContact CB-OG1 3.49Å; S16-T18 PolarHBondContact O-N 3.26Å; S16-T18 PolarHBondContact OG-N 2.87Å; S16-T18 PolarHBondContact OG-O 3.42Å; S16-T18 PolarHBondContact OG-OG1 3.43Å
17E93.8Very high94.1Very high53 Ų5348.7 Ų48.725%0.24826%0.257CS..SBendtrans60.719.7-168.4-55.7-174171.900112.4D12 R15 L55 R70D12-E17 VanDerWaalsContact OD2-CA 3.27Å; D12-E17 WeakPolarHBondContact OD2-CA 3.44Å; D12-E17 PolarHBondContact OD2-N 3.35Å; R15-E17 PolarHBondContact O-N 2.86Å; E17-L55 HydrophobicContact CB-CB 3.92Å; E17-L55 HydrophobicContact CB-CD2 4.3Å; E17-L55 HydrophobicContact CG-CD2 4.1Å; E17-L55 PolarHBondContact O-N 2.94Å; E17-R70 VanDerWaalsContact CD-NE 3.3Å; E17-R70 WeakPolarHBondContact OE1-CD 3.32Å; E17-R70 WeakPolarHBondContact OE1-CG 3.44Å; E17-R70 IonicContact OE1-CZ 2.78Å; E17-R70 IonicContact OE1-NE 3.8Å; E17-R70 PolarHBondContact OE1-NE 3.46Å; E17-R70 IonicContact OE1-NH2 2.65Å; E17-R70 IonicContact OE2-CZ 3.93Å; E17-R70 VanDerWaalsContact OE2-CZ 3.28Å; E17-R70 IonicContact OE2-NE 2.71Å; E17-R70 PolarHBondContact OE2-NE 3.11Å; E17-R70 IonicContact OE2-NH2 3.87Å; E17-R70 PolarHBondContact OE2-NH2 3.15Å
18T95.1Very high94.2Very high44 Ų4449.2 Ų49.227%0.2726%0.258SS..EExtended strand (participates in β ladder)trans-135.5140.8-179.359.30000110.5S16 I52 I53 T54S16-T18 WeakPolarHBondContact CB-OG1 3.49Å; S16-T18 PolarHBondContact O-N 3.26Å; S16-T18 PolarHBondContact OG-N 2.87Å; S16-T18 PolarHBondContact OG-O 3.42Å; S16-T18 PolarHBondContact OG-OG1 3.43Å; T18-I52 HydrophobicContact CG2-CG2 4.02Å; T18-I53 CarbonylContact C-O 3.01Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; T18-T54 HydrophobicContact CG2-CG2 4.21Å
19I96.9Very high94.2Very high0 Ų054.2 Ų54.20%029%0.288CS..EExtended strand (participates in β ladder)trans-117.2118.5173.4-66.1172.6000108.1F8 I11 D12 E23 L24 W41 I52 I53F8-I19 HydrophobicContact CB-CD1 4.29Å; F8-I19 HydrophobicContact CD1-CD1 3.99Å; F8-I19 HydrophobicContact CD2-CD1 3.4Å; F8-I19 HydrophobicContact CD2-CG1 4.42Å; F8-I19 HydrophobicContact CE1-CD1 4.07Å; F8-I19 HydrophobicContact CE1-CG1 4.29Å; F8-I19 HydrophobicContact CE2-CD1 3.52Å; F8-I19 HydrophobicContact CE2-CG1 4.09Å; F8-I19 HydrophobicContact CG-CD1 3.64Å; F8-I19 HydrophobicContact CZ-CD1 3.84Å; F8-I19 HydrophobicContact CZ-CG1 4Å; I11-I19 HydrophobicContact CB-CD1 3.82Å; I11-I19 HydrophobicContact CB-CG1 4.2Å; I11-I19 HydrophobicContact CD1-CD1 4.08Å; I11-I19 HydrophobicContact CG2-CB 4.26Å; I11-I19 HydrophobicContact CG2-CD1 3.92Å; I11-I19 HydrophobicContact CG2-CG1 3.85Å; I11-I19 HydrophobicContact CG2-CG2 3.5Å; D12-I19 HydrophobicContact CB-CG1 4.13Å; I19-E23 HydrophobicContact CG2-CB 4.45Å; I19-L24 HydrophobicContact CG2-CB 4Å; I19-L24 HydrophobicContact CG2-CD1 4.48Å; I19-W41 HydrophobicContact CD1-CZ3 4.16Å; I19-I52 CarbonylContact O-C 3.56Å; I19-I52 WeakPolarHBondContact O-CA 3.35Å; I19-I53 HydrophobicContact CB-CB 4.33Å; I19-I53 PolarHBondContact N-O 3.25Å; I19-I53 PolarHBondContact O-N 3.14Å
20T96.8Very high94.3Very high46 Ų4660.5 Ų60.528%0.28232%0.315SS..EExtended strand (participates in β ladder)trans-78.1159.3169.864.20000111.1D22 E23 L24T20-D22 PolarHBondContact O-N 2.76Å; T20-E23 WeakPolarHBondContact CB-OE2 3.25Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.47Å; T20-E23 PolarHBondContact N-OE2 3.39Å; T20-E23 PolarHBondContact O-N 3.5Å; T20-E23 VanDerWaalsContact OG1-CD 3.24Å; T20-E23 VanDerWaalsContact OG1-CG 3.23Å; T20-E23 WeakPolarHBondContact OG1-CG 3.45Å; T20-E23 PolarHBondContact OG1-N 3.25Å; T20-E23 PolarHBondContact OG1-OE2 3.37Å; T20-L24 PolarHBondContact O-N 3.38Å
21I94.8Very high94.4Very high34 Ų3462.5 Ų62.517%0.17432%0.321CS..Hα-helixtrans-60.7-35.2175-56.5-50.1000111.5L24 Q25 Q42 G51I21-L24 PolarHBondContact O-N 3.07Å; I21-Q25 VanDerWaalsContact O-CB 3.29Å; I21-Q25 WeakPolarHBondContact O-CB 3.11Å; I21-Q25 PolarHBondContact O-N 3.2Å; I21-Q42 HydrophobicContact CD1-CG 3.92Å; I21-G51 PolarHBondContact N-O 3.38Å
22D96.3Very high94.3Very high120 Ų12069.6 Ų69.664%0.64236%0.359SS*.Hα-helixtrans-66.4-40.2178.9-68.2-25.5000111.9T20 Q25 T26T20-D22 PolarHBondContact O-N 2.76Å; D22-Q25 PolarHBondContact O-N 3.32Å; D22-T26 WeakPolarHBondContact O-CB 3.38Å; D22-T26 PolarHBondContact O-N 2.98Å; D22-T26 PolarHBondContact O-OG1 3.11Å
23E96.6Very high94.1Very high52 Ų5273 Ų7324%0.24338%0.375CS..Hα-helixtrans-66.2-43174.7-72.6162.7143.100111.6I11 I19 T20 Q25 T26 Y27I11-E23 HydrophobicContact CG2-CB 3.76Å; I19-E23 HydrophobicContact CG2-CB 4.45Å; T20-E23 WeakPolarHBondContact CB-OE2 3.25Å; T20-E23 WeakPolarHBondContact CG2-OE2 3.47Å; T20-E23 PolarHBondContact N-OE2 3.39Å; T20-E23 PolarHBondContact O-N 3.5Å; T20-E23 VanDerWaalsContact OG1-CD 3.24Å; T20-E23 VanDerWaalsContact OG1-CG 3.23Å; T20-E23 WeakPolarHBondContact OG1-CG 3.45Å; T20-E23 PolarHBondContact OG1-N 3.25Å; T20-E23 PolarHBondContact OG1-OE2 3.37Å; E23-Q25 VanDerWaalsContact C-N 3.31Å; E23-Q25 PolarHBondContact O-N 2.81Å; E23-T26 WeakPolarHBondContact O-CB 3.43Å; E23-T26 PolarHBondContact O-N 3.44Å; E23-Y27 PolarHBondContact O-N 3.26Å
24L95.6Very high94.3Very high0 Ų071.6 Ų71.60%037%0.372CS..Hα-helixtrans-61.4-41.6176.3-172.267.5000111.4I11 I19 T20 I21 Y27 M28 F37 I38 W41 I53I11-L24 HydrophobicContact CD1-CD1 3.66Å; I19-L24 HydrophobicContact CG2-CB 4Å; I19-L24 HydrophobicContact CG2-CD1 4.48Å; T20-L24 PolarHBondContact O-N 3.38Å; I21-L24 PolarHBondContact O-N 3.07Å; L24-Y27 PolarHBondContact O-N 2.87Å; L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 PolarHBondContact O-N 3.11Å; L24-F37 HydrophobicContact CD1-CD1 4.49Å; L24-F37 HydrophobicContact CD1-CE1 3.6Å; L24-F37 HydrophobicContact CD1-CZ 4.21Å; L24-F37 HydrophobicContact CG-CE1 4.18Å; L24-I38 HydrophobicContact CD2-CG1 4.44Å; L24-I38 HydrophobicContact CD2-CG2 4.27Å; L24-I38 HydrophobicContact CG-CG1 4.42Å; L24-W41 HydrophobicContact CD1-CB 4.38Å; L24-W41 HydrophobicContact CD1-CD2 3.87Å; L24-W41 HydrophobicContact CD1-CE3 3.92Å; L24-W41 HydrophobicContact CD1-CG 4.07Å; L24-W41 HydrophobicContact CD2-CB 3.67Å; L24-W41 HydrophobicContact CD2-CG 4.25Å; L24-I53 HydrophobicContact CD2-CD1 4.33Å
25Q95.8Very high94.4Very high92 Ų9271.2 Ų71.243%0.4338%0.376SS..Hα-helixtrans-68.8-39.2177-170.8164.3-11.600111.9I21 D22 E23 Y27 M28 V29 I38I21-Q25 VanDerWaalsContact O-CB 3.29Å; I21-Q25 WeakPolarHBondContact O-CB 3.11Å; I21-Q25 PolarHBondContact O-N 3.2Å; D22-Q25 PolarHBondContact O-N 3.32Å; E23-Q25 VanDerWaalsContact C-N 3.31Å; E23-Q25 PolarHBondContact O-N 2.81Å; Q25-Y27 VanDerWaalsContact C-N 3.34Å; Q25-Y27 PolarHBondContact O-N 3.39Å; Q25-M28 HydrophobicContact CG-CE 4.46Å; Q25-M28 PolarHBondContact O-N 3.42Å; Q25-V29 WeakPolarHBondContact O-CG2 3.36Å; Q25-V29 PolarHBondContact O-N 2.95Å; Q25-I38 HydrophobicContact CB-CD1 3.68Å; Q25-I38 HydrophobicContact CG-CD1 3.7Å
26T96.5Very high94.7Very high93 Ų9370.4 Ų70.457%0.57139%0.385SS*.Hα-helixtrans-60.3-44.9173.7-61.30000111D22 E23 K30D22-T26 WeakPolarHBondContact O-CB 3.38Å; D22-T26 PolarHBondContact O-N 2.98Å; D22-T26 PolarHBondContact O-OG1 3.11Å; E23-T26 WeakPolarHBondContact O-CB 3.43Å; E23-T26 PolarHBondContact O-N 3.44Å; T26-K30 VanDerWaalsContact O-CB 3.22Å; T26-K30 WeakPolarHBondContact O-CB 3.44Å; T26-K30 PolarHBondContact O-N 2.89Å
27Y96.1Very high94.8Very high45 Ų4569.6 Ų69.618%0.17638%0.376CS..Hα-helixtrans-64.2-42.1176.7-179.6-92.9000112.6A7 A10 I11 E23 L24 Q25 K30 N31 M33 F37A7-Y27 HydrophobicContact CB-CE1 4.32Å; A10-Y27 HydrophobicContact CB-CD2 4.27Å; A10-Y27 HydrophobicContact CB-CE2 3.57Å; I11-Y27 HydrophobicContact CD1-CD1 4.07Å; I11-Y27 HydrophobicContact CD1-CG 4.12Å; I11-Y27 HydrophobicContact CG1-CD1 3.88Å; I11-Y27 HydrophobicContact CG1-CD2 3.63Å; I11-Y27 HydrophobicContact CG1-CE1 4.48Å; I11-Y27 HydrophobicContact CG1-CE2 4.27Å; I11-Y27 HydrophobicContact CG1-CG 3.41Å; I11-Y27 VanDerWaalsContact CG1-CG 3.41Å; E23-Y27 PolarHBondContact O-N 3.26Å; L24-Y27 PolarHBondContact O-N 2.87Å; Q25-Y27 VanDerWaalsContact C-N 3.34Å; Q25-Y27 PolarHBondContact O-N 3.39Å; Y27-K30 PolarHBondContact O-N 2.86Å; Y27-N31 VanDerWaalsContact CD2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.5Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.47Å; Y27-N31 PolarHBondContact O-N 3.15Å; Y27-N31 PolarHBondContact O-ND2 3.41Å; Y27-M33 HydrophobicContact CD1-SD 4.18Å; Y27-M33 HydrophobicContact CE1-SD 3.74Å; Y27-F37 HydrophobicContact CD1-CE1 4.22Å; Y27-F37 HydrophobicContact CD1-CZ 4.22Å; Y27-F37 HydrophobicContact CE1-CZ 4.27Å
28M95.5Very high94.8Very high19 Ų1968 Ų689%0.09437%0.369CS..Hα-helixtrans-58.5-51177-177.5-163.175.700111.5L24 Q25 N31 D32 M33 F37 I38L24-M28 WeakPolarHBondContact O-CB 3.39Å; L24-M28 PolarHBondContact O-N 3.11Å; Q25-M28 HydrophobicContact CG-CE 4.46Å; Q25-M28 PolarHBondContact O-N 3.42Å; M28-N31 PolarHBondContact O-N 3.34Å; M28-D32 PolarHBondContact O-N 3.41Å; M28-D32 VanDerWaalsContact O-N 3.13Å; M28-M33 HydrophobicContact CG-CB 3.8Å; M28-M33 WeakPolarHBondContact CG-O 3.24Å; M28-M33 PolarHBondContact O-N 3.16Å; M28-F37 HydrophobicContact CB-CD1 4.01Å; M28-F37 HydrophobicContact CG-CB 4.28Å; M28-F37 HydrophobicContact CG-CD1 4.11Å; M28-F37 HydrophobicContact SD-CB 4.49Å; M28-I38 HydrophobicContact CE-CD1 4.02Å; M28-I38 HydrophobicContact SD-CD1 3.64Å; M28-I38 HydrophobicContact SD-CG1 3.7Å
29V95.8Very high94.7Very high104 Ų10468.7 Ų68.763%0.6338%0.379SS*.Hα-helixtrans-63.8-43.4179.1173.80000110.9Q25 N31 D32Q25-V29 WeakPolarHBondContact O-CG2 3.36Å; Q25-V29 PolarHBondContact O-N 2.95Å; V29-N31 VanDerWaalsContact C-N 3.25Å; V29-N31 PolarHBondContact O-N 3.13Å; V29-D32 PolarHBondContact O-N 2.9Å
30K95.7Very high94.6Very high152 Ų15276.1 Ų76.166%0.66141%0.407SS*.Hα-helixtrans-61-33.3-179.8-178.4179.4176.2-176.20113T26 Y27T26-K30 VanDerWaalsContact O-CB 3.22Å; T26-K30 WeakPolarHBondContact O-CB 3.44Å; T26-K30 PolarHBondContact O-N 2.89Å; Y27-K30 PolarHBondContact O-N 2.86Å
31N94.4Very high94.5Very high79 Ų7974 Ų7442%0.42239%0.394SS..THydrogen-bonded Turntrans-103.612.6-177.7-65.3-82.7000113.4Y27 M28 V29 M33Y27-N31 VanDerWaalsContact CD2-ND2 3.31Å; Y27-N31 WeakPolarHBondContact CD2-ND2 3.5Å; Y27-N31 WeakPolarHBondContact CE2-ND2 3.47Å; Y27-N31 PolarHBondContact O-N 3.15Å; Y27-N31 PolarHBondContact O-ND2 3.41Å; M28-N31 PolarHBondContact O-N 3.34Å; V29-N31 VanDerWaalsContact C-N 3.25Å; V29-N31 PolarHBondContact O-N 3.13Å; N31-M33 VanDerWaalsContact C-N 3.27Å; N31-M33 HydrophobicContact CB-CG 3.9Å; N31-M33 HydrophobicContact CB-SD 4.23Å; N31-M33 PolarHBondContact O-N 3Å
32D93.7Very high94.5Very high157 Ų15775.5 Ų75.584%0.8440%0.4SS*.THydrogen-bonded Turntrans51.443.5179.5-15932.9000113.3M28 V29M28-D32 PolarHBondContact O-N 3.41Å; M28-D32 VanDerWaalsContact O-N 3.13Å; V29-D32 PolarHBondContact O-N 2.9Å
33M91.1Very high94.4Very high73 Ų7377 Ų7736%0.3640%0.403SS..  trans-88.9149.9-178.1-58.9-174.882.800111.7Y27 M28 N31 F37Y27-M33 HydrophobicContact CD1-SD 4.18Å; Y27-M33 HydrophobicContact CE1-SD 3.74Å; M28-M33 HydrophobicContact CG-CB 3.8Å; M28-M33 WeakPolarHBondContact CG-O 3.24Å; M28-M33 PolarHBondContact O-N 3.16Å; N31-M33 VanDerWaalsContact C-N 3.27Å; N31-M33 HydrophobicContact CB-CG 3.9Å; N31-M33 HydrophobicContact CB-SD 4.23Å; N31-M33 PolarHBondContact O-N 3Å; M33-F37 HydrophobicContact CB-CB 4.43Å; M33-F37 HydrophobicContact CB-CG 4.48Å; M33-F37 HydrophobicContact CE-CD2 3.42Å; M33-F37 VanDerWaalsContact CE-CD2 3.42Å; M33-F37 HydrophobicContact CE-CE2 3.39Å; M33-F37 HydrophobicContact CE-CG 4.21Å; M33-F37 HydrophobicContact CE-CZ 4.15Å; M33-F37 HydrophobicContact SD-CD1 4.5Å; M33-F37 HydrophobicContact SD-CD2 4.03Å; M33-F37 HydrophobicContact SD-CE1 4.35Å; M33-F37 HydrophobicContact SD-CE2 3.87Å; M33-F37 HydrophobicContact SD-CG 4.34Å; M33-F37 HydrophobicContact SD-CZ 4.04Å
34D93.6Very high94.3Very high111 Ų11177.7 Ų77.759%0.59441%0.408SS*.  trans-58138.5178.7-171.8-73000111.9A36 F37D34-A36 PolarHBondContact O-N 3.48Å; D34-A36 WeakPolarHBondContact OD1-CB 3.1Å; D34-A36 PolarHBondContact OD1-N 2.96Å; D34-F37 WeakPolarHBondContact O-CB 3.35Å; D34-F37 PolarHBondContact O-N 2.64Å
35P90.4Very high94.4Very high98 Ų9877.9 Ų77.964%0.63641%0.409SS*.THydrogen-bonded Turntrans-53.2-27.1177.3-27.935.7000115.4F37 I38P35-F37 PolarHBondContact O-N 3.14Å; P35-I38 PolarHBondContact O-N 3.43Å
36A93.2Very high94.3Very high59 Ų5973.7 Ų73.749%0.48839%0.389SS..Hα-helixtrans-64.3-14.817400000113D34 I38 A39 R40D34-A36 PolarHBondContact O-N 3.48Å; D34-A36 WeakPolarHBondContact OD1-CB 3.1Å; D34-A36 PolarHBondContact OD1-N 2.96Å; A36-I38 PolarHBondContact O-N 3.2Å; A36-A39 PolarHBondContact O-N 2.95Å; A36-R40 WeakPolarHBondContact O-CB 3.5Å; A36-R40 PolarHBondContact O-N 3.05Å
37F92.6Very high94.2Very high30 Ų3072.4 Ų72.413%0.13238%0.383CS..Hα-helixtrans-56-47.8175176.8-100.3000112.1L24 Y27 M28 M33 D34 P35 R40 W41L24-F37 HydrophobicContact CD1-CD1 4.49Å; L24-F37 HydrophobicContact CD1-CE1 3.6Å; L24-F37 HydrophobicContact CD1-CZ 4.21Å; L24-F37 HydrophobicContact CG-CE1 4.18Å; Y27-F37 HydrophobicContact CD1-CE1 4.22Å; Y27-F37 HydrophobicContact CD1-CZ 4.22Å; Y27-F37 HydrophobicContact CE1-CZ 4.27Å; M28-F37 HydrophobicContact CB-CD1 4.01Å; M28-F37 HydrophobicContact CG-CB 4.28Å; M28-F37 HydrophobicContact CG-CD1 4.11Å; M28-F37 HydrophobicContact SD-CB 4.49Å; M33-F37 HydrophobicContact CB-CB 4.43Å; M33-F37 HydrophobicContact CB-CG 4.48Å; M33-F37 HydrophobicContact CE-CD2 3.42Å; M33-F37 VanDerWaalsContact CE-CD2 3.42Å; M33-F37 HydrophobicContact CE-CE2 3.39Å; M33-F37 HydrophobicContact CE-CG 4.21Å; M33-F37 HydrophobicContact CE-CZ 4.15Å; M33-F37 HydrophobicContact SD-CD1 4.5Å; M33-F37 HydrophobicContact SD-CD2 4.03Å; M33-F37 HydrophobicContact SD-CE1 4.35Å; M33-F37 HydrophobicContact SD-CE2 3.87Å; M33-F37 HydrophobicContact SD-CG 4.34Å; M33-F37 HydrophobicContact SD-CZ 4.04Å; D34-F37 WeakPolarHBondContact O-CB 3.35Å; D34-F37 PolarHBondContact O-N 2.64Å; P35-F37 PolarHBondContact O-N 3.14Å; F37-R40 PolarHBondContact O-N 2.89Å; F37-W41 AromaticContact CD2-CD1 3.94Å; F37-W41 AromaticContact CD2-NE1 3.95Å; F37-W41 AromaticContact CE1-CD1 3.99Å; F37-W41 AromaticContact CE1-NE1 3.99Å; F37-W41 AromaticContact CE2-CD1 3.56Å; F37-W41 AromaticContact CE2-NE1 3.14Å; F37-W41 AromaticContact CZ-CD1 3.59Å; F37-W41 HydrophobicContact CZ-CD2 4.48Å; F37-W41 AromaticContact CZ-CE2 3.78Å; F37-W41 HydrophobicContact CZ-CG 4.38Å; F37-W41 HydrophobicContact CZ-CZ2 4.34Å; F37-W41 AromaticContact CZ-NE1 3.16Å; F37-W41 PolarHBondContact O-N 3.38Å
38I93.7Very high94.1Very high21 Ų2176.8 Ų76.811%0.10841%0.405CS..Hα-helixtrans-63.9-47.2179.4-64.9173.4000110L24 Q25 M28 P35 A36 R40 W41 Q42L24-I38 HydrophobicContact CD2-CG1 4.44Å; L24-I38 HydrophobicContact CD2-CG2 4.27Å; L24-I38 HydrophobicContact CG-CG1 4.42Å; Q25-I38 HydrophobicContact CB-CD1 3.68Å; Q25-I38 HydrophobicContact CG-CD1 3.7Å; M28-I38 HydrophobicContact CE-CD1 4.02Å; M28-I38 HydrophobicContact SD-CD1 3.64Å; M28-I38 HydrophobicContact SD-CG1 3.7Å; P35-I38 PolarHBondContact O-N 3.43Å; A36-I38 PolarHBondContact O-N 3.2Å; I38-R40 VanDerWaalsContact C-N 3.25Å; I38-R40 PolarHBondContact O-N 3.41Å; I38-W41 PolarHBondContact O-N 3.29Å; I38-W41 VanDerWaalsContact O-N 3.15Å; I38-Q42 HydrophobicContact CG2-CG 4.21Å; I38-Q42 WeakPolarHBondContact O-CG 3.39Å; I38-Q42 PolarHBondContact O-N 3.04Å
39A94.1Very high93.9Very high57 Ų5784.5 Ų84.547%0.47144%0.438SS..Hα-helixtrans-57-42.1179.500000111.4A36 E43A36-A39 PolarHBondContact O-N 2.95Å; A39-E43 WeakPolarHBondContact O-CB 3.35Å; A39-E43 PolarHBondContact O-N 3.2Å
40R94Very high93.9Very high156 Ų15683.8 Ų83.859%0.58943%0.434SS*.Hα-helixtrans-65.9-41.8177.5-172.8174.6-175.3164.22.6112.8A36 F37 I38 L44A36-R40 WeakPolarHBondContact O-CB 3.5Å; A36-R40 PolarHBondContact O-N 3.05Å; F37-R40 PolarHBondContact O-N 2.89Å; I38-R40 VanDerWaalsContact C-N 3.25Å; I38-R40 PolarHBondContact O-N 3.41Å; R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 WeakPolarHBondContact O-CB 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 2.93Å; R40-L44 VanDerWaalsContact O-N 3.11Å
41W94.7Very high93.9Very high2 Ų277.8 Ų77.81%0.00842%0.415CS..Hα-helixtrans-67.5-41.7177.2-9272.6000112.1F4 A7 F8 I11 I19 L24 F37 I38 L44 F45 I53 F58F4-W41 AromaticContact CD1-CE2 3.76Å; F4-W41 HydrophobicContact CD1-CH2 4.41Å; F4-W41 AromaticContact CD1-CZ2 3.61Å; F4-W41 HydrophobicContact CD1-CZ2 3.61Å; F4-W41 AromaticContact CD1-NE1 3.86Å; F4-W41 AromaticContact CE1-CE2 3.98Å; F4-W41 HydrophobicContact CE1-CZ2 4.29Å; F4-W41 AromaticContact CE1-NE1 3.64Å; A7-W41 HydrophobicContact CB-CH2 4.33Å; A7-W41 HydrophobicContact CB-CZ2 3.87Å; F8-W41 HydrophobicContact CB-CH2 4.35Å; F8-W41 HydrophobicContact CD2-CH2 4.47Å; F8-W41 HydrophobicContact CD2-CZ3 4.23Å; I11-W41 HydrophobicContact CD1-CH2 4.18Å; I11-W41 HydrophobicContact CD1-CZ2 4.47Å; I11-W41 HydrophobicContact CD1-CZ3 4.48Å; I19-W41 HydrophobicContact CD1-CZ3 4.16Å; L24-W41 HydrophobicContact CD1-CB 4.38Å; L24-W41 HydrophobicContact CD1-CD2 3.87Å; L24-W41 HydrophobicContact CD1-CE3 3.92Å; L24-W41 HydrophobicContact CD1-CG 4.07Å; L24-W41 HydrophobicContact CD2-CB 3.67Å; L24-W41 HydrophobicContact CD2-CG 4.25Å; F37-W41 AromaticContact CD2-CD1 3.94Å; F37-W41 AromaticContact CD2-NE1 3.95Å; F37-W41 AromaticContact CE1-CD1 3.99Å; F37-W41 AromaticContact CE1-NE1 3.99Å; F37-W41 AromaticContact CE2-CD1 3.56Å; F37-W41 AromaticContact CE2-NE1 3.14Å; F37-W41 AromaticContact CZ-CD1 3.59Å; F37-W41 HydrophobicContact CZ-CD2 4.48Å; F37-W41 AromaticContact CZ-CE2 3.78Å; F37-W41 HydrophobicContact CZ-CG 4.38Å; F37-W41 HydrophobicContact CZ-CZ2 4.34Å; F37-W41 AromaticContact CZ-NE1 3.16Å; F37-W41 PolarHBondContact O-N 3.38Å; I38-W41 PolarHBondContact O-N 3.29Å; I38-W41 VanDerWaalsContact O-N 3.15Å; W41-L44 PolarHBondContact O-N 3.38Å; W41-F45 HydrophobicContact CB-CD2 4.3Å; W41-F45 AromaticContact CD2-CD2 3.76Å; W41-F45 HydrophobicContact CD2-CD2 3.76Å; W41-F45 AromaticContact CD2-CE2 3.72Å; W41-F45 HydrophobicContact CD2-CE2 3.72Å; W41-F45 AromaticContact CE3-CD2 3.48Å; W41-F45 HydrophobicContact CE3-CD2 3.48Å; W41-F45 VanDerWaalsContact CE3-CD2 3.48Å; W41-F45 AromaticContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CG-CD2 4.14Å; W41-F45 HydrophobicContact CG-CE2 4.19Å; W41-F45 HydrophobicContact CH2-CE2 4.47Å; W41-F45 HydrophobicContact CZ2-CE2 4.47Å; W41-F45 HydrophobicContact CZ3-CD2 4.08Å; W41-F45 HydrophobicContact CZ3-CE2 4.12Å; W41-F45 WeakPolarHBondContact O-CB 3.48Å; W41-F45 WeakPolarHBondContact O-CD2 3.23Å; W41-F45 PolarHBondContact O-N 3.33Å; W41-I53 HydrophobicContact CB-CD1 4.41Å; W41-I53 HydrophobicContact CE3-CD1 3.93Å; W41-F58 HydrophobicContact CH2-CD2 4.41Å; W41-F58 AromaticContact CH2-CE2 3.7Å; W41-F58 HydrophobicContact CH2-CE2 3.7Å; W41-F58 HydrophobicContact CH2-CZ 4.44Å; W41-F58 HydrophobicContact CZ2-CE2 4.49Å; W41-F58 HydrophobicContact CZ3-CD2 4.12Å; W41-F58 AromaticContact CZ3-CE2 3.86Å; W41-F58 HydrophobicContact CZ3-CE2 3.86Å
42Q95.1Very high93.9Very high65 Ų6577.8 Ų77.830%0.30441%0.414SS..Hα-helixtrans-62.6-44.5175.3-71.8-178-49.500111.5I21 I38 L44 D46I21-Q42 HydrophobicContact CD1-CG 3.92Å; I38-Q42 HydrophobicContact CG2-CG 4.21Å; I38-Q42 WeakPolarHBondContact O-CG 3.39Å; I38-Q42 PolarHBondContact O-N 3.04Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.26Å; Q42-D46 CarbonylContact O-C 3.31Å; Q42-D46 WeakPolarHBondContact O-CA 3.29Å; Q42-D46 PolarHBondContact O-N 3.02Å
43E95Very high94.1Very high153 Ų15370.3 Ų70.372%0.71538%0.375SS*.Hα-helixtrans-60.1-42.6177.6-175.4-179.6-168.100112.3A39A39-E43 WeakPolarHBondContact O-CB 3.35Å; A39-E43 PolarHBondContact O-N 3.2Å
44L94.6Very high94.3Very high66 Ų6669.5 Ų69.535%0.34637%0.374SS..Hα-helixtrans-77.4-44.6-177.3-69172.7000113F4 R40 W41 Q42 V61F4-L44 HydrophobicContact CE1-CD1 4.4Å; F4-L44 HydrophobicContact CZ-CD1 4.26Å; R40-L44 HydrophobicContact CG-CD1 4.01Å; R40-L44 WeakPolarHBondContact O-CB 3.5Å; R40-L44 VanDerWaalsContact O-CG 3.25Å; R40-L44 WeakPolarHBondContact O-CG 3.5Å; R40-L44 PolarHBondContact O-N 2.93Å; R40-L44 VanDerWaalsContact O-N 3.11Å; W41-L44 PolarHBondContact O-N 3.38Å; Q42-L44 VanDerWaalsContact C-N 3.33Å; Q42-L44 PolarHBondContact O-N 3.26Å; L44-V61 WeakPolarHBondContact O-CG2 3.41Å
45F95.8Very high94.3Very high3 Ų364.3 Ų64.31%0.01335%0.346CS..Hα-helixtrans-115.9-17.2-163.8-51.2-61.7000114.5F4 W41 P47 I53 K57 F58 V61 L62F4-F45 AromaticContact CD1-CE2 3.81Å; F4-F45 HydrophobicContact CD1-CE2 3.81Å; F4-F45 AromaticContact CD1-CZ 3.83Å; F4-F45 HydrophobicContact CD1-CZ 3.83Å; F4-F45 AromaticContact CE1-CE2 3.91Å; F4-F45 HydrophobicContact CE1-CE2 3.91Å; F4-F45 HydrophobicContact CE1-CZ 4.08Å; F4-F45 HydrophobicContact CG-CZ 4.41Å; W41-F45 HydrophobicContact CB-CD2 4.3Å; W41-F45 AromaticContact CD2-CD2 3.76Å; W41-F45 HydrophobicContact CD2-CD2 3.76Å; W41-F45 AromaticContact CD2-CE2 3.72Å; W41-F45 HydrophobicContact CD2-CE2 3.72Å; W41-F45 AromaticContact CE3-CD2 3.48Å; W41-F45 HydrophobicContact CE3-CD2 3.48Å; W41-F45 VanDerWaalsContact CE3-CD2 3.48Å; W41-F45 AromaticContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CE3-CE2 3.74Å; W41-F45 HydrophobicContact CG-CD2 4.14Å; W41-F45 HydrophobicContact CG-CE2 4.19Å; W41-F45 HydrophobicContact CH2-CE2 4.47Å; W41-F45 HydrophobicContact CZ2-CE2 4.47Å; W41-F45 HydrophobicContact CZ3-CD2 4.08Å; W41-F45 HydrophobicContact CZ3-CE2 4.12Å; W41-F45 WeakPolarHBondContact O-CB 3.48Å; W41-F45 WeakPolarHBondContact O-CD2 3.23Å; W41-F45 PolarHBondContact O-N 3.33Å; F45-P47 VanDerWaalsContact C-CD 3.4Å; F45-I53 HydrophobicContact CB-CB 4.43Å; F45-I53 HydrophobicContact CB-CD1 4.04Å; F45-I53 HydrophobicContact CB-CG1 4.03Å; F45-I53 HydrophobicContact CB-CG2 3.56Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; F45-K57 WeakPolarHBondContact O-CG 3.33Å; F45-F58 AromaticContact CD1-CD2 3.73Å; F45-F58 HydrophobicContact CD1-CD2 3.73Å; F45-F58 HydrophobicContact CD1-CE2 4.44Å; F45-F58 HydrophobicContact CD1-CG 4.46Å; F45-F58 HydrophobicContact CD2-CD2 4.13Å; F45-F58 HydrophobicContact CD2-CE2 4.43Å; F45-F58 AromaticContact CE1-CD2 3.59Å; F45-F58 HydrophobicContact CE1-CD2 3.59Å; F45-F58 AromaticContact CE1-CE2 3.9Å; F45-F58 HydrophobicContact CE1-CE2 3.9Å; F45-F58 HydrophobicContact CE1-CG 4.41Å; F45-F58 AromaticContact CE2-CD2 3.99Å; F45-F58 HydrophobicContact CE2-CD2 3.99Å; F45-F58 AromaticContact CE2-CE2 3.88Å; F45-F58 HydrophobicContact CE2-CE2 3.88Å; F45-F58 HydrophobicContact CG-CD2 4Å; F45-F58 AromaticContact CZ-CD2 3.73Å; F45-F58 HydrophobicContact CZ-CD2 3.73Å; F45-F58 AromaticContact CZ-CE2 3.58Å; F45-F58 HydrophobicContact CZ-CE2 3.58Å; F45-V61 HydrophobicContact CD1-CB 3.92Å; F45-V61 HydrophobicContact CD1-CG1 3.85Å; F45-V61 HydrophobicContact CD1-CG2 4.27Å; F45-V61 HydrophobicContact CE1-CB 4.02Å; F45-V61 HydrophobicContact CE1-CG1 3.7Å; F45-L62 HydrophobicContact CE1-CD1 4.42Å; F45-L62 HydrophobicContact CE1-CD2 4.04Å; F45-L62 HydrophobicContact CE1-CG 3.98Å; F45-L62 HydrophobicContact CZ-CD1 4.45Å; F45-L62 HydrophobicContact CZ-CD2 4.16Å; F45-L62 HydrophobicContact CZ-CG 4.35Å
46D95.5Very high94.4Very high4 Ų462 Ų622%0.02133%0.332CS..  trans-129.857.2174.5-174.327.3000112.7Q42 Q48 K49 T50 G51 I53Q42-D46 CarbonylContact O-C 3.31Å; Q42-D46 WeakPolarHBondContact O-CA 3.29Å; Q42-D46 PolarHBondContact O-N 3.02Å; D46-Q48 PolarHBondContact O-N 3.23Å; D46-Q48 VanDerWaalsContact O-N 3.12Å; D46-K49 PolarHBondContact O-N 2.94Å; D46-K49 PolarHBondContact OD1-N 3.18Å; D46-K49 VanDerWaalsContact OD2-CA 3.32Å; D46-K49 WeakPolarHBondContact OD2-CA 3.36Å; D46-T50 VanDerWaalsContact CG-N 3.3Å; D46-T50 WeakPolarHBondContact OD1-CB 3.5Å; D46-T50 PolarHBondContact OD1-N 2.93Å; D46-T50 PolarHBondContact OD1-OG1 3.33Å; D46-T50 PolarHBondContact OD2-N 2.75Å; D46-G51 PolarHBondContact OD2-N 3.38Å; D46-I53 HydrophobicContact CB-CG1 3.91Å
47P94Very high94.4Very high67 Ų6762.7 Ų62.744%0.43532%0.324SS..THydrogen-bonded Turntrans-64.3-20.6-176.722.4-30.3000113.3F45 K49F45-P47 VanDerWaalsContact C-CD 3.4Å; P47-K49 VanDerWaalsContact C-N 3.31Å
48Q93.4Very high94.6Very high136 Ų13661.3 Ų61.364%0.63632%0.318SS*.THydrogen-bonded Turntrans-84.5-3.2175.1-69.475.139.200113.4D46 T50D46-Q48 PolarHBondContact O-N 3.23Å; D46-Q48 VanDerWaalsContact O-N 3.12Å; Q48-T50 VanDerWaalsContact C-N 3.26Å; Q48-T50 HydrophobicContact CB-CG2 3.87Å; Q48-T50 PolarHBondContact O-N 3.23Å
49K92.2Very high94.5Very high181 Ų18160.3 Ų60.379%0.78731%0.313SS*.  trans53.743.7-176.5-57.2-175178.1-175.70112.5D46 P47 G51D46-K49 PolarHBondContact O-N 2.94Å; D46-K49 PolarHBondContact OD1-N 3.18Å; D46-K49 VanDerWaalsContact OD2-CA 3.32Å; D46-K49 WeakPolarHBondContact OD2-CA 3.36Å; P47-K49 VanDerWaalsContact C-N 3.31Å; K49-G51 PolarHBondContact O-N 3.18Å
50T95.2Very high94.5Very high90 Ų9062.8 Ų62.855%0.55232%0.318SS*.  trans-67.5-21.7175.465.90000112.1D46 Q48 I52D46-T50 VanDerWaalsContact CG-N 3.3Å; D46-T50 WeakPolarHBondContact OD1-CB 3.5Å; D46-T50 PolarHBondContact OD1-N 2.93Å; D46-T50 PolarHBondContact OD1-OG1 3.33Å; D46-T50 PolarHBondContact OD2-N 2.75Å; Q48-T50 VanDerWaalsContact C-N 3.26Å; Q48-T50 HydrophobicContact CB-CG2 3.87Å; Q48-T50 PolarHBondContact O-N 3.23Å; T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact OG1-N 3.05Å; T50-I52 PolarHBondContact OG1-O 3.34Å
51G94.9Very high94.5Very high26 Ų2658.1 Ų58.127%0.26831%0.307SS..SBendtrans84.61.3-175.100000113.6I21 D46 K49I21-G51 PolarHBondContact N-O 3.38Å; D46-G51 PolarHBondContact OD2-N 3.38Å; K49-G51 PolarHBondContact O-N 3.18Å
52I95.9Very high94.4Very high78 Ų7859.6 Ų59.640%0.432%0.315SS..EExtended strand (participates in β ladder)trans-137.2130.3-178.1-52.6176.4000109.3T18 I19 T50T18-I52 HydrophobicContact CG2-CG2 4.02Å; I19-I52 CarbonylContact O-C 3.56Å; I19-I52 WeakPolarHBondContact O-CA 3.35Å; T50-I52 VanDerWaalsContact C-N 3.29Å; T50-I52 PolarHBondContact OG1-N 3.05Å; T50-I52 PolarHBondContact OG1-O 3.34Å
53I96.4Very high94.2Very high1 Ų159.8 Ų59.81%0.00534%0.335CS..EExtended strand (participates in β ladder)trans-102.9113.7173.8-63.2167000108.1F8 T18 I19 L24 W41 F45 D46 F58F8-I53 HydrophobicContact CE2-CG2 4.26Å; T18-I53 CarbonylContact C-O 3.01Å; T18-I53 WeakPolarHBondContact CA-O 3.35Å; I19-I53 HydrophobicContact CB-CB 4.33Å; I19-I53 PolarHBondContact N-O 3.25Å; I19-I53 PolarHBondContact O-N 3.14Å; L24-I53 HydrophobicContact CD2-CD1 4.33Å; W41-I53 HydrophobicContact CB-CD1 4.41Å; W41-I53 HydrophobicContact CE3-CD1 3.93Å; F45-I53 HydrophobicContact CB-CB 4.43Å; F45-I53 HydrophobicContact CB-CD1 4.04Å; F45-I53 HydrophobicContact CB-CG1 4.03Å; F45-I53 HydrophobicContact CB-CG2 3.56Å; F45-I53 HydrophobicContact CG-CG2 4.33Å; D46-I53 HydrophobicContact CB-CG1 3.91Å; I53-F58 HydrophobicContact CG2-CB 4.44Å
54T95.5Very high93.9Very high56 Ų5654.9 Ų54.934%0.34431%0.313SS..EExtended strand (participates in β ladder)trans-88.5149.2179.268.20000111.4T18 S56 K57 F58T18-T54 HydrophobicContact CG2-CG2 4.21Å; T54-S56 PolarHBondContact O-N 3.43Å; T54-K57 PolarHBondContact O-N 3.4Å; T54-K57 VanDerWaalsContact O-N 3.14Å; T54-K57 WeakPolarHBondContact OG1-CB 3.35Å; T54-K57 PolarHBondContact OG1-N 3.38Å; T54-F58 WeakPolarHBondContact O-CB 3.43Å; T54-F58 PolarHBondContact O-N 3.11Å
55L94.3Very high93.6Very high1 Ų157.6 Ų57.61%0.00532%0.324CS..Hα-helixtrans-56.6-39.7175.3-175.168000111.8F8 E17 F58 C59 L66 L69 R70 Y73F8-L55 HydrophobicContact CD1-CD1 3.94Å; F8-L55 HydrophobicContact CE1-CB 4.2Å; F8-L55 HydrophobicContact CE1-CD1 3.63Å; F8-L55 HydrophobicContact CE1-CG 4.49Å; F8-L55 HydrophobicContact CE2-CD1 4.37Å; F8-L55 HydrophobicContact CG-CD1 4.47Å; F8-L55 HydrophobicContact CZ-CB 3.88Å; F8-L55 HydrophobicContact CZ-CD1 3.88Å; E17-L55 HydrophobicContact CB-CB 3.92Å; E17-L55 HydrophobicContact CB-CD2 4.3Å; E17-L55 HydrophobicContact CG-CD2 4.1Å; E17-L55 PolarHBondContact O-N 2.94Å; L55-F58 PolarHBondContact O-N 2.99Å; L55-C59 WeakPolarHBondContact O-CB 3.41Å; L55-C59 PolarHBondContact O-N 3.38Å; L55-C59 PolarHBondContact O-SG 2.53Å; L55-L66 HydrophobicContact CB-CD1 4.14Å; L55-L66 HydrophobicContact CD2-CD1 3.64Å; L55-L66 HydrophobicContact CG-CD1 3.57Å; L55-L69 HydrophobicContact CD1-CB 4.14Å; L55-L69 HydrophobicContact CD1-CD2 3.73Å; L55-L69 HydrophobicContact CD2-CB 4.4Å; L55-R70 HydrophobicContact CD2-CG 3.94Å; L55-Y73 HydrophobicContact CD2-CE2 3.97Å
56S93Very high93.1Very high51 Ų5158.7 Ų58.736%0.35733%0.33SS..Hα-helixtrans-57.9-52.2175.4-171.80000111.2T54 F58 C59 D60T54-S56 PolarHBondContact O-N 3.43Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 3.39Å; S56-C59 PolarHBondContact O-N 3.33Å; S56-D60 PolarHBondContact O-N 2.84Å
57K93Very high92.4Very high73 Ų7361.6 Ų61.632%0.31734%0.343SS..Hα-helixtrans-64.8-39-178.5-178.556.5179173.30111.7F45 T54 D60 V61F45-K57 WeakPolarHBondContact O-CG 3.33Å; T54-K57 PolarHBondContact O-N 3.4Å; T54-K57 VanDerWaalsContact O-N 3.14Å; T54-K57 WeakPolarHBondContact OG1-CB 3.35Å; T54-K57 PolarHBondContact OG1-N 3.38Å; K57-D60 PolarHBondContact O-N 2.81Å; K57-V61 HydrophobicContact CD-CG2 4.31Å; K57-V61 VanDerWaalsContact O-CG2 3.29Å; K57-V61 WeakPolarHBondContact O-CG2 3.46Å; K57-V61 PolarHBondContact O-N 2.85Å; K57-V61 VanDerWaalsContact O-N 3.08Å
58F95.6Very high91.8Very high0 Ų060.5 Ų60.50%034%0.34CS..Hα-helixtrans-60.6-46.2175.9177.9-92.5000111.9F4 V5 F8 W41 F45 I53 T54 L55 S56 V61 L62 L64 L69F4-F58 HydrophobicContact CB-CE2 4.06Å; F4-F58 HydrophobicContact CB-CZ 3.74Å; F4-F58 WeakPolarHBondContact O-CZ 3.44Å; V5-F58 HydrophobicContact CG2-CE1 4.16Å; V5-F58 HydrophobicContact CG2-CZ 4.48Å; F8-F58 HydrophobicContact CB-CE1 4.23Å; F8-F58 HydrophobicContact CB-CE2 4.42Å; F8-F58 HydrophobicContact CB-CZ 4.03Å; F8-F58 HydrophobicContact CD2-CB 4.14Å; F8-F58 AromaticContact CD2-CD1 3.88Å; F8-F58 HydrophobicContact CD2-CD1 3.88Å; F8-F58 AromaticContact CD2-CD2 3.65Å; F8-F58 HydrophobicContact CD2-CD2 3.65Å; F8-F58 HydrophobicContact CD2-CE1 4.11Å; F8-F58 AromaticContact CD2-CE2 3.9Å; F8-F58 HydrophobicContact CD2-CE2 3.9Å; F8-F58 AromaticContact CD2-CG 3.62Å; F8-F58 HydrophobicContact CD2-CG 3.62Å; F8-F58 HydrophobicContact CD2-CZ 4.11Å; F8-F58 HydrophobicContact CE2-CB 3.88Å; F8-F58 HydrophobicContact CE2-CD1 4.35Å; F8-F58 HydrophobicContact CE2-CD2 4.17Å; F8-F58 AromaticContact CE2-CG 3.89Å; F8-F58 HydrophobicContact CE2-CG 3.89Å; F8-F58 HydrophobicContact CG-CD1 4.45Å; F8-F58 HydrophobicContact CG-CE1 4.38Å; F8-F58 HydrophobicContact CG-CZ 4.45Å; W41-F58 HydrophobicContact CH2-CD2 4.41Å; W41-F58 AromaticContact CH2-CE2 3.7Å; W41-F58 HydrophobicContact CH2-CE2 3.7Å; W41-F58 HydrophobicContact CH2-CZ 4.44Å; W41-F58 HydrophobicContact CZ2-CE2 4.49Å; W41-F58 HydrophobicContact CZ3-CD2 4.12Å; W41-F58 AromaticContact CZ3-CE2 3.86Å; W41-F58 HydrophobicContact CZ3-CE2 3.86Å; F45-F58 AromaticContact CD1-CD2 3.73Å; F45-F58 HydrophobicContact CD1-CD2 3.73Å; F45-F58 HydrophobicContact CD1-CE2 4.44Å; F45-F58 HydrophobicContact CD1-CG 4.46Å; F45-F58 HydrophobicContact CD2-CD2 4.13Å; F45-F58 HydrophobicContact CD2-CE2 4.43Å; F45-F58 AromaticContact CE1-CD2 3.59Å; F45-F58 HydrophobicContact CE1-CD2 3.59Å; F45-F58 AromaticContact CE1-CE2 3.9Å; F45-F58 HydrophobicContact CE1-CE2 3.9Å; F45-F58 HydrophobicContact CE1-CG 4.41Å; F45-F58 AromaticContact CE2-CD2 3.99Å; F45-F58 HydrophobicContact CE2-CD2 3.99Å; F45-F58 AromaticContact CE2-CE2 3.88Å; F45-F58 HydrophobicContact CE2-CE2 3.88Å; F45-F58 HydrophobicContact CG-CD2 4Å; F45-F58 AromaticContact CZ-CD2 3.73Å; F45-F58 HydrophobicContact CZ-CD2 3.73Å; F45-F58 AromaticContact CZ-CE2 3.58Å; F45-F58 HydrophobicContact CZ-CE2 3.58Å; I53-F58 HydrophobicContact CG2-CB 4.44Å; T54-F58 WeakPolarHBondContact O-CB 3.43Å; T54-F58 PolarHBondContact O-N 3.11Å; L55-F58 PolarHBondContact O-N 2.99Å; S56-F58 VanDerWaalsContact C-N 3.3Å; S56-F58 PolarHBondContact O-N 3.39Å; F58-V61 PolarHBondContact O-N 3Å; F58-L62 HydrophobicContact CD1-CD1 4.16Å; F58-L62 HydrophobicContact CD2-CD1 4.42Å; F58-L62 HydrophobicContact CE1-CD1 3.53Å; F58-L62 HydrophobicContact CE2-CD1 3.83Å; F58-L62 HydrophobicContact CZ-CD1 3.35Å; F58-L62 PolarHBondContact O-N 3.04Å; F58-L62 VanDerWaalsContact O-N 3.14Å; F58-L64 HydrophobicContact CE1-CD1 4.47Å; F58-L69 HydrophobicContact CD1-CD2 4.42Å; F58-L69 HydrophobicContact CE1-CD2 4.22Å
59C92.8Very high91.4Very high0 Ų054.5 Ų54.50%031%0.312CS..Hα-helixtrans-63.2-44176.2-670000111.8L55 S56 V61 L62 G63 L64 L66L55-C59 WeakPolarHBondContact O-CB 3.41Å; L55-C59 PolarHBondContact O-N 3.38Å; L55-C59 PolarHBondContact O-SG 2.53Å; S56-C59 PolarHBondContact O-N 3.33Å; C59-V61 VanDerWaalsContact C-N 3.3Å; C59-V61 PolarHBondContact O-N 3.4Å; C59-L62 PolarHBondContact O-N 2.71Å; C59-G63 PolarHBondContact O-N 2.79Å; C59-L64 HydrophobicContact CB-CB 4.2Å; C59-L64 PolarHBondContact O-N 3.29Å; C59-L66 HydrophobicContact CB-CB 4.4Å
60D92.9Very high91.1Very high109 Ų10950.8 Ų50.858%0.58329%0.293SS*.Hα-helixtrans-57.6-43.2178.2-66.7-21.2000111.9S56 K57S56-D60 PolarHBondContact O-N 2.84Å; K57-D60 PolarHBondContact O-N 2.81Å
61V94Very high90Very high58 Ų5847.9 Ų47.935%0.35227%0.273SS..Hα-helixtrans-69.7-37.8-179171.50000111.7L44 F45 K57 F58 C59L44-V61 WeakPolarHBondContact O-CG2 3.41Å; F45-V61 HydrophobicContact CD1-CB 3.92Å; F45-V61 HydrophobicContact CD1-CG1 3.85Å; F45-V61 HydrophobicContact CD1-CG2 4.27Å; F45-V61 HydrophobicContact CE1-CB 4.02Å; F45-V61 HydrophobicContact CE1-CG1 3.7Å; K57-V61 HydrophobicContact CD-CG2 4.31Å; K57-V61 VanDerWaalsContact O-CG2 3.29Å; K57-V61 WeakPolarHBondContact O-CG2 3.46Å; K57-V61 PolarHBondContact O-N 2.85Å; K57-V61 VanDerWaalsContact O-N 3.08Å; F58-V61 PolarHBondContact O-N 3Å; C59-V61 VanDerWaalsContact C-N 3.3Å; C59-V61 PolarHBondContact O-N 3.4Å
62L93.1Very high89.4Confident33 Ų3350.4 Ų50.417%0.17328%0.276CS..Hα-helixtrans-87-5.3-179.2-63.8-176000113.8F4 F45 F58 C59 L64F4-L62 HydrophobicContact CB-CD1 3.93Å; F45-L62 HydrophobicContact CE1-CD1 4.42Å; F45-L62 HydrophobicContact CE1-CD2 4.04Å; F45-L62 HydrophobicContact CE1-CG 3.98Å; F45-L62 HydrophobicContact CZ-CD1 4.45Å; F45-L62 HydrophobicContact CZ-CD2 4.16Å; F45-L62 HydrophobicContact CZ-CG 4.35Å; F58-L62 HydrophobicContact CD1-CD1 4.16Å; F58-L62 HydrophobicContact CD2-CD1 4.42Å; F58-L62 HydrophobicContact CE1-CD1 3.53Å; F58-L62 HydrophobicContact CE2-CD1 3.83Å; F58-L62 HydrophobicContact CZ-CD1 3.35Å; F58-L62 PolarHBondContact O-N 3.04Å; F58-L62 VanDerWaalsContact O-N 3.14Å; C59-L62 PolarHBondContact O-N 2.71Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 HydrophobicContact CB-CD1 3.71Å; L62-L64 HydrophobicContact CB-CG 3.72Å; L62-L64 HydrophobicContact CD1-CD1 3.86Å; L62-L64 HydrophobicContact CG-CD1 4.45Å
63G91.7Very high88.5Confident70 Ų7047.3 Ų47.372%0.72226%0.26SS*.THydrogen-bonded Turntrans67.634.2-174.700000112.8C59C59-G63 PolarHBondContact O-N 2.79Å
64L89.1Confident87.5Confident49 Ų4948.3 Ų48.326%0.25727%0.266SS..  trans-99.4153.6-180-57.9173.5000110.8V5 F58 C59 L62 L69V5-L64 HydrophobicContact CG2-CD1 3.57Å; F58-L64 HydrophobicContact CE1-CD1 4.47Å; C59-L64 HydrophobicContact CB-CB 4.2Å; C59-L64 PolarHBondContact O-N 3.29Å; L62-L64 VanDerWaalsContact C-N 3.33Å; L62-L64 HydrophobicContact CB-CD1 3.71Å; L62-L64 HydrophobicContact CB-CG 3.72Å; L62-L64 HydrophobicContact CD1-CD1 3.86Å; L62-L64 HydrophobicContact CG-CD1 4.45Å; L64-L69 HydrophobicContact CB-CD1 3.86Å; L64-L69 HydrophobicContact CD1-CD1 4.02Å
65E88Confident86.4Confident124 Ų12448.7 Ų48.758%0.57926%0.264SS*.  trans-80.7117.8172.4-175.7179.9-163.600109.6E67 A68 L69E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 HydrophobicContact CG-CB 4.35Å; E65-E67 PolarHBondContact O-N 2.93Å; E65-A68 HydrophobicContact CB-CB 3.95Å; E65-A68 HydrophobicContact CG-CB 4.3Å; E65-A68 WeakPolarHBondContact O-CB 3.3Å; E65-A68 PolarHBondContact O-N 3.47Å; E65-L69 PolarHBondContact O-N 2.94Å
66L85.1Confident85.4Confident25 Ų2552.8 Ų52.813%0.13128%0.283CS..Hα-helixtrans-54.5-45.1-178.9174.558.4000111.8L55 C59 A68 L69 R70L55-L66 HydrophobicContact CB-CD1 4.14Å; L55-L66 HydrophobicContact CD2-CD1 3.64Å; L55-L66 HydrophobicContact CG-CD1 3.57Å; C59-L66 HydrophobicContact CB-CB 4.4Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.46Å; L66-L69 PolarHBondContact O-N 2.86Å; L66-R70 HydrophobicContact CD1-CG 4.47Å; L66-R70 PolarHBondContact O-N 2.85Å
67E80.9Confident84.5Confident66 Ų6655.2 Ų55.231%0.30829%0.288SS..Hα-helixtrans-61.9-37.8179.2-70.873.2-16600111.8E65 L69 R70 F71E65-E67 VanDerWaalsContact C-N 3.28Å; E65-E67 HydrophobicContact CG-CB 4.35Å; E65-E67 PolarHBondContact O-N 2.93Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.41Å; E67-R70 PolarHBondContact O-N 2.84Å; E67-F71 HydrophobicContact CB-CE2 4.38Å; E67-F71 WeakPolarHBondContact O-CD2 3.41Å; E67-F71 PolarHBondContact O-N 3.12Å
68A80.9Confident83.5Confident44 Ų4455.6 Ų55.636%0.36429%0.291SS..Hα-helixtrans-62.9-35.2177.700000112.2E65 L66E65-A68 HydrophobicContact CB-CB 3.95Å; E65-A68 HydrophobicContact CG-CB 4.3Å; E65-A68 WeakPolarHBondContact O-CB 3.3Å; E65-A68 PolarHBondContact O-N 3.47Å; L66-A68 VanDerWaalsContact C-N 3.29Å; L66-A68 PolarHBondContact O-N 3.46Å
69L85.5Confident82.4Confident9 Ų961.2 Ų61.25%0.04732%0.321CS..Hα-helixtrans-75.3-40.3174.2-85.785.8000112.4V5 F9 L55 F58 L64 E65 L66 E67 F71 K72V5-L69 HydrophobicContact CG1-CD2 3.93Å; V5-L69 HydrophobicContact CG1-CG 4.4Å; V5-L69 HydrophobicContact CG2-CD2 4.38Å; F9-L69 HydrophobicContact CZ-CB 4.19Å; F9-L69 HydrophobicContact CZ-CD2 4.11Å; F9-L69 HydrophobicContact CZ-CG 4.14Å; L55-L69 HydrophobicContact CD1-CB 4.14Å; L55-L69 HydrophobicContact CD1-CD2 3.73Å; L55-L69 HydrophobicContact CD2-CB 4.4Å; F58-L69 HydrophobicContact CD1-CD2 4.42Å; F58-L69 HydrophobicContact CE1-CD2 4.22Å; L64-L69 HydrophobicContact CB-CD1 3.86Å; L64-L69 HydrophobicContact CD1-CD1 4.02Å; E65-L69 PolarHBondContact O-N 2.94Å; L66-L69 PolarHBondContact O-N 2.86Å; E67-L69 VanDerWaalsContact C-N 3.28Å; E67-L69 PolarHBondContact O-N 3.41Å; L69-F71 PolarHBondContact O-N 3.39Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 3.21Å
70R85Confident81.6Confident104 Ų10467.6 Ų67.639%0.39235%0.349SS..Hα-helixtrans-55.4-39.5173.6-76-175.6164.5158.2-2.4112E17 L55 L66 E67 K72 Y73E17-R70 VanDerWaalsContact CD-NE 3.3Å; E17-R70 WeakPolarHBondContact OE1-CD 3.32Å; E17-R70 WeakPolarHBondContact OE1-CG 3.44Å; E17-R70 IonicContact OE1-CZ 2.78Å; E17-R70 IonicContact OE1-NE 3.8Å; E17-R70 PolarHBondContact OE1-NE 3.46Å; E17-R70 IonicContact OE1-NH2 2.65Å; E17-R70 IonicContact OE2-CZ 3.93Å; E17-R70 VanDerWaalsContact OE2-CZ 3.28Å; E17-R70 IonicContact OE2-NE 2.71Å; E17-R70 PolarHBondContact OE2-NE 3.11Å; E17-R70 IonicContact OE2-NH2 3.87Å; E17-R70 PolarHBondContact OE2-NH2 3.15Å; L55-R70 HydrophobicContact CD2-CG 3.94Å; L66-R70 HydrophobicContact CD1-CG 4.47Å; L66-R70 PolarHBondContact O-N 2.85Å; E67-R70 PolarHBondContact O-N 2.84Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 2.73Å; R70-Y73 PolarHBondContact O-N 3.02Å
71F72.3Confident80.6Confident29 Ų2966.8 Ų66.813%0.12735%0.347CS..Hα-helixtrans-64.7-25.5175.1-76.2-59.7000114.2E67 L69 V74 E75 W161 L164E67-F71 HydrophobicContact CB-CE2 4.38Å; E67-F71 WeakPolarHBondContact O-CD2 3.41Å; E67-F71 PolarHBondContact O-N 3.12Å; L69-F71 PolarHBondContact O-N 3.39Å; F71-V74 PolarHBondContact O-N 3.02Å; F71-E75 PolarHBondContact O-N 2.94Å; F71-E75 VanDerWaalsContact O-N 3.14Å; F71-W161 AromaticContact CE1-CD1 3.84Å; F71-W161 AromaticContact CE1-NE1 3.74Å; F71-L164 HydrophobicContact CE2-CB 4.24Å; F71-L164 HydrophobicContact CE2-CD1 4.23Å; F71-L164 HydrophobicContact CZ-CB 3.98Å; F71-L164 HydrophobicContact CZ-CD1 4.38Å
72K82.7Confident79.5Confident78 Ų7866.9 Ų66.934%0.33935%0.354SS..Hα-helixtrans-70.3-32174.8-72.9-175.1172.4-1730112.3F9 L69 R70 V74 E75 Q76F9-K72 HydrophobicContact CE1-CB 4.21Å; F9-K72 HydrophobicContact CE2-CB 3.93Å; F9-K72 HydrophobicContact CE2-CD 3.49Å; F9-K72 VanDerWaalsContact CE2-CD 3.49Å; F9-K72 HydrophobicContact CE2-CG 4.37Å; F9-K72 HydrophobicContact CZ-CB 3.54Å; F9-K72 HydrophobicContact CZ-CD 3.78Å; F9-K72 HydrophobicContact CZ-CG 4.25Å; L69-K72 WeakPolarHBondContact O-CB 3.3Å; L69-K72 PolarHBondContact O-N 3.21Å; R70-K72 VanDerWaalsContact C-N 3.26Å; R70-K72 PolarHBondContact O-N 2.73Å; K72-V74 VanDerWaalsContact C-N 3.33Å; K72-E75 PolarHBondContact O-N 2.75Å; K72-Q76 WeakPolarHBondContact O-CG 3.29Å; K72-Q76 PolarHBondContact O-N 3.35Å
73Y76.9Confident78.6Confident14 Ų1469.4 Ų69.46%0.05537%0.371CS..Hα-helixtrans-61.6-43.8173.2-76.8-75.2000111.7F8 F9 D12 R15 L55 R70 Q76 E77F8-Y73 WeakPolarHBondContact CD1-OH 3.42Å; F8-Y73 VanDerWaalsContact CE1-OH 3.3Å; F8-Y73 WeakPolarHBondContact CE1-OH 3.5Å; F9-Y73 HydrophobicContact CD1-CD1 4.14Å; F9-Y73 HydrophobicContact CD1-CD2 4.35Å; F9-Y73 AromaticContact CD1-CE1 3.64Å; F9-Y73 HydrophobicContact CD1-CE1 3.64Å; F9-Y73 AromaticContact CD1-CE2 3.86Å; F9-Y73 HydrophobicContact CD1-CE2 3.86Å; F9-Y73 HydrophobicContact CD1-CG 4.47Å; F9-Y73 AromaticContact CD1-CZ 3.46Å; F9-Y73 VanDerWaalsContact CD1-CZ 3.46Å; F9-Y73 HydrophobicContact CE1-CD1 4.29Å; F9-Y73 AromaticContact CE1-CD2 3.73Å; F9-Y73 HydrophobicContact CE1-CD2 3.73Å; F9-Y73 HydrophobicContact CE1-CE1 4.01Å; F9-Y73 AromaticContact CE1-CE2 3.39Å; F9-Y73 HydrophobicContact CE1-CE2 3.39Å; F9-Y73 HydrophobicContact CE1-CG 4.16Å; F9-Y73 AromaticContact CE1-CZ 3.53Å; D12-Y73 VanDerWaalsContact OD2-CZ 3.24Å; D12-Y73 PolarHBondContact OD2-OH 2.93Å; R15-Y73 HydrophobicContact CB-CD1 4Å; R15-Y73 HydrophobicContact CB-CE1 4.05Å; R15-Y73 HydrophobicContact CG-CD1 3.7Å; R15-Y73 HydrophobicContact CG-CE1 3.9Å; R15-Y73 PolarHBondContact NH1-O 3.4Å; R15-Y73 PolarHBondContact NH2-O 2.89Å; L55-Y73 HydrophobicContact CD2-CE2 3.97Å; R70-Y73 PolarHBondContact O-N 3.02Å; Y73-Q76 PolarHBondContact O-N 3.08Å; Y73-E77 PolarHBondContact O-N 2.91Å
74V74.9Confident77.7Confident22 Ų2270.1 Ų70.113%0.13336%0.358CS..Hα-helixtrans-63.3-45.7178-173.70000110.4F71 K72 Q76 E77 E78 R165F71-V74 PolarHBondContact O-N 3.02Å; K72-V74 VanDerWaalsContact C-N 3.33Å; V74-Q76 VanDerWaalsContact C-N 3.34Å; V74-Q76 PolarHBondContact O-N 2.64Å; V74-E77 WeakPolarHBondContact O-CA 3.31Å; V74-E77 VanDerWaalsContact O-CB 3.3Å; V74-E77 WeakPolarHBondContact O-CB 3.34Å; V74-E77 PolarHBondContact O-N 3.37Å; V74-E78 PolarHBondContact O-N 3.05Å; V74-R165 VanDerWaalsContact CG1-NH2 3.35Å
75E73.6Confident76.6Confident64 Ų6472.9 Ų72.930%0.29937%0.373SS..Hα-helixtrans-58.6-43.6175.8-79.7-179.9155.900112.6F71 K72 E77 E78 L79 K168F71-E75 PolarHBondContact O-N 2.94Å; F71-E75 VanDerWaalsContact O-N 3.14Å; K72-E75 PolarHBondContact O-N 2.75Å; E75-E77 PolarHBondContact O-N 3.31Å; E75-E78 PolarHBondContact O-N 3.34Å; E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 WeakPolarHBondContact O-CD1 3.45Å; E75-L79 PolarHBondContact O-N 3.31Å; E75-K168 WeakPolarHBondContact OE1-CE 3.23Å; E75-K168 IonicContact OE1-NZ 2.85Å; E75-K168 PolarHBondContact OE1-NZ 2.96Å; E75-K168 IonicContact OE2-NZ 3.89Å; E75-K168 PolarHBondContact OE2-NZ 3.39Å; E75-K168 VanDerWaalsContact OE2-NZ 3.11Å
76Q72.5Confident75.5Confident86 Ų8672.5 Ų72.540%0.40237%0.371SS..Hα-helixtrans-64.9-30.1176.4-73.8-179.2-8.300112.3K72 Y73 V74 K80K72-Q76 WeakPolarHBondContact O-CG 3.29Å; K72-Q76 PolarHBondContact O-N 3.35Å; Y73-Q76 PolarHBondContact O-N 3.08Å; V74-Q76 VanDerWaalsContact C-N 3.34Å; V74-Q76 PolarHBondContact O-N 2.64Å; Q76-K80 VanDerWaalsContact O-CB 3.31Å; Q76-K80 WeakPolarHBondContact O-CB 3.34Å; Q76-K80 PolarHBondContact O-N 3Å; Q76-K80 VanDerWaalsContact O-N 3.15Å
77E74.8Confident74.6Confident102 Ų10273.8 Ų73.848%0.47738%0.382SS..Hα-helixtrans-69.7-49.1174.1-152.3163.7-17800112R15 Y73 V74 E75 L79 K80 V81R15-E77 IonicContact CZ-OE2 3.11Å; R15-E77 VanDerWaalsContact NH1-CB 3.3Å; R15-E77 VanDerWaalsContact NH1-CG 3.34Å; R15-E77 IonicContact NH1-OE1 2.62Å; R15-E77 IonicContact NH1-OE2 3.95Å; R15-E77 PolarHBondContact NH1-OE2 3.14Å; R15-E77 VanDerWaalsContact NH2-N 3.14Å; Y73-E77 PolarHBondContact O-N 2.91Å; V74-E77 WeakPolarHBondContact O-CA 3.31Å; V74-E77 VanDerWaalsContact O-CB 3.3Å; V74-E77 WeakPolarHBondContact O-CB 3.34Å; V74-E77 PolarHBondContact O-N 3.37Å; E75-E77 PolarHBondContact O-N 3.31Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.26Å; E77-K80 WeakPolarHBondContact O-CB 3.02Å; E77-K80 PolarHBondContact O-N 3.27Å; E77-K80 VanDerWaalsContact O-N 3.11Å; E77-V81 WeakPolarHBondContact O-CG2 3.49Å; E77-V81 PolarHBondContact O-N 3.18Å
78E71.5Confident73.9Confident81 Ų8173.8 Ų73.838%0.37939%0.389SS..Hα-helixtrans-61.4-43.2179.7-70.3-179.9137.400111.5V74 E75 K80 V81 A82 R165V74-E78 PolarHBondContact O-N 3.05Å; E75-E78 PolarHBondContact O-N 3.34Å; E78-K80 VanDerWaalsContact C-N 3.32Å; E78-K80 PolarHBondContact O-N 2.99Å; E78-V81 PolarHBondContact O-N 3.11Å; E78-A82 VanDerWaalsContact O-CB 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.42Å; E78-A82 PolarHBondContact O-N 3.26Å; E78-R165 IonicContact OE1-CZ 2.76Å; E78-R165 IonicContact OE1-NH2 3.31Å; E78-R165 PolarHBondContact OE1-NH2 3.47Å; E78-R165 IonicContact OE2-CZ 2.68Å; E78-R165 IonicContact OE2-NH2 2.64Å; E78-R165 PolarHBondContact OE2-NH2 2.91Å
79L72.4Confident72.6Confident118 Ų11876.1 Ų76.162%0.61840%0.395SS*.Hα-helixtrans-60.1-43.2174-84.1154.6000111.4E75 E77 A82 T83E75-L79 WeakPolarHBondContact O-CB 3.39Å; E75-L79 WeakPolarHBondContact O-CD1 3.45Å; E75-L79 PolarHBondContact O-N 3.31Å; E77-L79 VanDerWaalsContact C-N 3.33Å; E77-L79 PolarHBondContact O-N 3.26Å; L79-A82 PolarHBondContact O-N 2.89Å; L79-T83 WeakPolarHBondContact O-CB 3.35Å; L79-T83 PolarHBondContact O-N 3.39Å; L79-T83 PolarHBondContact O-OG1 3.19Å
80K75.5Confident71.1Confident135 Ų13580.7 Ų80.759%0.58742%0.416SS*.Hα-helixtrans-65.8-45.7179.1-164.2-178.7-179.8-169.60111.3Q76 E77 E78 A82 T83 D84Q76-K80 VanDerWaalsContact O-CB 3.31Å; Q76-K80 WeakPolarHBondContact O-CB 3.34Å; Q76-K80 PolarHBondContact O-N 3Å; Q76-K80 VanDerWaalsContact O-N 3.15Å; E77-K80 WeakPolarHBondContact O-CB 3.02Å; E77-K80 PolarHBondContact O-N 3.27Å; E77-K80 VanDerWaalsContact O-N 3.11Å; E78-K80 VanDerWaalsContact C-N 3.32Å; E78-K80 PolarHBondContact O-N 2.99Å; K80-A82 PolarHBondContact O-N 3.4Å; K80-T83 PolarHBondContact O-N 2.92Å; K80-D84 WeakPolarHBondContact O-CB 3.38Å; K80-D84 VanDerWaalsContact O-CG 3.25Å; K80-D84 PolarHBondContact O-N 3.36Å
81V72.7Confident69.7Low92 Ų9280.1 Ų80.156%0.55842%0.421SS*.Hα-helixtrans-60.8-44.6175.9172.60000111.4E77 E78 T83 D84 L85E77-V81 WeakPolarHBondContact O-CG2 3.49Å; E77-V81 PolarHBondContact O-N 3.18Å; E78-V81 PolarHBondContact O-N 3.11Å; V81-T83 VanDerWaalsContact C-N 3.31Å; V81-T83 PolarHBondContact O-N 3.14Å; V81-D84 PolarHBondContact O-N 3.12Å; V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 PolarHBondContact O-N 2.65Å
82A69.7Low68.9Low59 Ų5982.6 Ų82.649%0.48844%0.438SS..Hα-helixtrans-62.4-39.617700000111.8E78 L79 K80 H86E78-A82 VanDerWaalsContact O-CB 3.3Å; E78-A82 WeakPolarHBondContact O-CB 3.42Å; E78-A82 PolarHBondContact O-N 3.26Å; L79-A82 PolarHBondContact O-N 2.89Å; K80-A82 PolarHBondContact O-N 3.4Å; A82-H86 WeakPolarHBondContact O-CB 3.24Å; A82-H86 PolarHBondContact O-N 3.29Å
83T75.1Confident67.3Low86 Ų8685.5 Ų85.553%0.52845%0.453SS..Hα-helixtrans-69.7-41.9178.2-490000111.6L79 K80 V81 L85 H86 S87L79-T83 WeakPolarHBondContact O-CB 3.35Å; L79-T83 PolarHBondContact O-N 3.39Å; L79-T83 PolarHBondContact O-OG1 3.19Å; K80-T83 PolarHBondContact O-N 2.92Å; V81-T83 VanDerWaalsContact C-N 3.31Å; V81-T83 PolarHBondContact O-N 3.14Å; T83-L85 VanDerWaalsContact C-N 3.34Å; T83-H86 PolarHBondContact O-N 2.95Å; T83-S87 WeakPolarHBondContact O-CB 3.43Å; T83-S87 PolarHBondContact O-N 2.99Å; T83-S87 PolarHBondContact O-OG 3.25Å
84D73.1Confident66Low86 Ų8692.4 Ų92.446%0.4648%0.483SS..Hα-helixtrans-65.4-38.4176.6-71-16.4000111.2K80 V81 S87 S88K80-D84 WeakPolarHBondContact O-CB 3.38Å; K80-D84 VanDerWaalsContact O-CG 3.25Å; K80-D84 PolarHBondContact O-N 3.36Å; V81-D84 PolarHBondContact O-N 3.12Å; D84-S87 PolarHBondContact O-OG 3.21Å; D84-S88 WeakPolarHBondContact O-CB 3.3Å; D84-S88 PolarHBondContact O-N 2.86Å; D84-S88 PolarHBondContact O-OG 2.78Å
85L65.5Low64.6Low107 Ų10799.5 Ų99.556%0.5651%0.512SS*.Hα-helixtrans-67.3-43.3174.1-174.263.9000111.8V81 T83 S88 L89V81-L85 WeakPolarHBondContact O-CB 3.49Å; V81-L85 PolarHBondContact O-N 2.65Å; T83-L85 VanDerWaalsContact C-N 3.34Å; L85-S88 WeakPolarHBondContact O-CB 3.27Å; L85-S88 PolarHBondContact O-N 3.04Å; L85-L89 HydrophobicContact CG-CD1 4.11Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 2.97Å
86H65.5Low63.3Low115 Ų115103.8 Ų103.853%0.53253%0.532SS..Hα-helixtrans-63-46.2178.5-170.666.5000111.7A82 T83 S88 L89 E90A82-H86 WeakPolarHBondContact O-CB 3.24Å; A82-H86 PolarHBondContact O-N 3.29Å; T83-H86 PolarHBondContact O-N 2.95Å; H86-S88 VanDerWaalsContact C-N 3.28Å; H86-S88 PolarHBondContact O-N 3.43Å; H86-L89 PolarHBondContact O-N 3.3Å; H86-E90 IonicContact NE2-OE1 3.68Å; H86-E90 PolarHBondContact O-N 3.38Å
87S66.7Low61.8Low52 Ų52108 Ų10836%0.36455%0.552SS.*Hα-helixtrans-63.3-34.4175.6640000112.6T83 D84 N91T83-S87 WeakPolarHBondContact O-CB 3.43Å; T83-S87 PolarHBondContact O-N 2.99Å; T83-S87 PolarHBondContact O-OG 3.25Å; D84-S87 PolarHBondContact O-OG 3.21Å; S87-N91 PolarHBondContact O-N 2.71Å; S87-N91 PolarHBondContact O-ND2 3.04Å; S87-N91 VanDerWaalsContact O-ND2 3.07Å
88S65.1Low59.9Low67 Ų67110.6 Ų110.647%0.46957%0.569SS.*Hα-helixtrans-67.4-39.9174.1-61.70000112.5D84 L85 H86 N91 V92D84-S88 WeakPolarHBondContact O-CB 3.3Å; D84-S88 PolarHBondContact O-N 2.86Å; D84-S88 PolarHBondContact O-OG 2.78Å; L85-S88 WeakPolarHBondContact O-CB 3.27Å; L85-S88 PolarHBondContact O-N 3.04Å; H86-S88 VanDerWaalsContact C-N 3.28Å; H86-S88 PolarHBondContact O-N 3.43Å; S88-N91 PolarHBondContact O-N 3.2Å; S88-V92 PolarHBondContact O-N 2.83Å
89L54.4Low58.4Low92 Ų92110.4 Ų110.448%0.48259%0.589SS.*Hα-helixtrans-69.9-37.8178.7-73.5167.2000112.9L85 H86 N91 V92 H93L85-L89 HydrophobicContact CG-CD1 4.11Å; L85-L89 WeakPolarHBondContact O-CG 3.39Å; L85-L89 PolarHBondContact O-N 2.97Å; H86-L89 PolarHBondContact O-N 3.3Å; L89-N91 PolarHBondContact O-N 3.38Å; L89-V92 PolarHBondContact O-N 3.3Å; L89-H93 PolarHBondContact O-N 2.88Å
90E52.4Low56.7Low106 Ų106113.7 Ų113.750%0.49560%0.601SS.*Hα-helixtrans-63.3-32.5174.5-73.5-166.9147.500112.6H86H86-E90 IonicContact NE2-OE1 3.68Å; H86-E90 PolarHBondContact O-N 3.38Å
91N57.2Low54.5Low91 Ų91112.7 Ų112.749%0.48761%0.606SS.*Hα-helixtrans-69-36.3175-72-34.4000111.7S87 S88 L89 K94 F95S87-N91 PolarHBondContact O-N 2.71Å; S87-N91 PolarHBondContact O-ND2 3.04Å; S87-N91 VanDerWaalsContact O-ND2 3.07Å; S88-N91 PolarHBondContact O-N 3.2Å; L89-N91 PolarHBondContact O-N 3.38Å; N91-K94 PolarHBondContact O-N 2.78Å; N91-F95 WeakPolarHBondContact O-CD2 3.12Å
92V54.8Low52.8Low82 Ų82116.2 Ų116.250%0.49762%0.622SS.*Hα-helixtrans-67.6-40.7178.4175.90000112.1S88 L89 K94 F95S88-V92 PolarHBondContact O-N 2.83Å; L89-V92 PolarHBondContact O-N 3.3Å; V92-K94 PolarHBondContact O-N 3.33Å; V92-F95 PolarHBondContact O-N 3.28Å
93H48.4Very low51Low139 Ų139121 Ų12164%0.64464%0.639SS**Hα-helixtrans-64.4-24.9178-78.6145.7000113.5L89 F95L89-H93 PolarHBondContact O-N 2.88Å; H93-F95 VanDerWaalsContact C-N 3.32Å; H93-F95 PolarHBondContact O-N 2.92Å
94K50Low49.3Very low158 Ų158124.8 Ų124.869%0.68766%0.657SS**THydrogen-bonded Turntrans-75.6-16.7174.1-72.7176.5-178.7167.10114N91 V92N91-K94 PolarHBondContact O-N 2.78Å; V92-K94 PolarHBondContact O-N 3.33Å
95F46.5Very low47.6Very low171 Ų171126 Ų12675%0.7567%0.667SS**THydrogen-bonded Turntrans-92.1-13.5179.2-76.5-73.7000114.4N91 V92 H93N91-F95 WeakPolarHBondContact O-CD2 3.12Å; V92-F95 PolarHBondContact O-N 3.28Å; H93-F95 VanDerWaalsContact C-N 3.32Å; H93-F95 PolarHBondContact O-N 2.92Å
96Q46.2Very low46.3Very low154 Ų154128.5 Ų128.572%0.7268%0.681SS**THydrogen-bonded Turntrans-90.5-6.4-177.5-78.8-172.8-48.100115.4
97E40.9Very low44.8Very low176 Ų176129.7 Ų129.782%0.82269%0.691SS**THydrogen-bonded Turntrans-86-2.2175.4-80.5-166.5145.200114.9
98N35.1Very low43.5Very low156 Ų156133.8 Ų133.883%0.83471%0.714SS**SBendtrans-130.587.7177.7-79.4-33.8000112.1
99G39Very low42Very low77 Ų77137.3 Ų137.379%0.79473%0.728SS**  trans170.194168.700000115.7
100Q36.3Very low41.2Very low187 Ų187138.7 Ų138.787%0.87475%0.745SS**  trans-59.4140168.2-81.6166.6-7400113.1
101T30.9Very low40.3Very low113 Ų113138 Ų13869%0.69376%0.758SS**  trans16.5125.6148.549.30000119
102N35.2Very low39.2Very low166 Ų166141.2 Ų141.289%0.88878%0.775SS**  -157.6121.7127.2-90.5-31.7000111.7
103N33.6Very low38.3Very low159 Ų159144 Ų14485%0.8579%0.787SS**  trans-72.6131.4164.8-67.6-41000108.8
104N39.4Very low37.6Very low167 Ų167149 Ų14989%0.89380%0.8SS**  trans-155.3132.4142.8-108.9-18000113
105V36.8Very low37.1Very low112 Ų112149.5 Ų149.568%0.67981%0.81SS**  trans-60.4144.1175.6176.20000110
106N37Very low36.4Very low159 Ų159144.1 Ų144.185%0.8579%0.793SS**  -170.6136.9125.5-86.1-25.4000113.7
107N34.9Very low35.8Very low140 Ų140144.3 Ų144.375%0.74980%0.799SS**  trans-97.2124.4-174.7-168.98000107.7
108T39.5Very low35.3Very low138 Ų138144.8 Ų144.885%0.84780%0.801SS**  trans-141.3127.8163.448.60000112.5
109N34.4Very low35.3Very low140 Ų140145.7 Ų145.775%0.74981%0.805SS**  trans-63.9153.4-175.1-60-51.6000115.5
110S37.1Very low35.1Very low122 Ų122148.1 Ų148.185%0.85380%0.799SS**  trans42.595.4136.6-67.70000119
111A33.3Very low35.4Very low91 Ų91145.8 Ų145.875%0.75279%0.786SS**  trans-158.7-2.6151.800000116.6
112N34.8Very low36.1Very low158 Ų158143.4 Ų143.485%0.84577%0.774SS**  trans-100.914.1-162.5-69.7-14.5000117.5R114N112-R114 PolarHBondContact O-N 3.18Å
113N35.7Very low37.3Very low141 Ų141141.4 Ų141.475%0.75477%0.767SS**THydrogen-bonded Turntrans-97.440.2-174.6-1514.9000115
114R33Very low39.7Very low243 Ų243139.5 Ų139.592%0.91776%0.757SS**THydrogen-bonded Turntrans-143.211.7177.5-78.1-165.6168.7169.5-4116.6N112N112-R114 PolarHBondContact O-N 3.18Å
115L40Very low42.3Very low170 Ų170133.9 Ų133.989%0.8972%0.724SS**SBendtrans-117.710.1175-81.4160.5000113.5N117L115-N117 PolarHBondContact O-N 3.49Å
116S31.6Very low45.1Very low57 Ų57134.2 Ų134.240%0.39972%0.718SS.*THydrogen-bonded Turntrans-89.110.5-17453.80000115.3
117N32.4Very low47.9Very low159 Ų159130.5 Ų130.585%0.8570%0.695SS**THydrogen-bonded Turntrans-110.34.3-173.9-82.65.9000115.3L115L115-N117 PolarHBondContact O-N 3.49Å
118E32Very low50.8Low185 Ų185127.4 Ų127.486%0.86468%0.678SS**SBendtrans-127.9119.7167.2-77.8-177.9146.100108.7
119L33.5Very low53.4Low175 Ų175123.4 Ų123.492%0.91666%0.656SS**  trans83.956.1177.1-145.381.3000118.1
120I35Very low56.3Low129 Ų129118.2 Ų118.266%0.66264%0.635SS**  trans-102.495.2150.5-55.7175.8000106.8S122I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 PolarHBondContact O-N 3.28Å
121K42.4Very low58.9Low138 Ų138115.4 Ų115.460%0.661%0.611SS**  trans-56.6106.4150.3-103.5-174.5169.7-169.40103.7T123 D149K121-T123 VanDerWaalsContact C-N 3.29Å; K121-T123 PolarHBondContact O-N 3.34Å; K121-T123 PolarHBondContact O-OG1 2.91Å; K121-D149 IonicContact NZ-OD1 3.83Å; K121-D149 PolarHBondContact NZ-OD1 3.12Å; K121-D149 IonicContact NZ-OD2 2.86Å; K121-D149 PolarHBondContact NZ-OD2 3.37Å
122S45.6Very low61.8Low63 Ų63111.3 Ų111.344%0.44158%0.576SS.*  trans-52.394.1-180172.40000108.6I120 D124 H199I120-S122 VanDerWaalsContact C-N 3.29Å; I120-S122 PolarHBondContact O-N 3.28Å; S122-D124 PolarHBondContact O-N 3.43Å; S122-D124 PolarHBondContact OG-O 3Å; S122-H199 PolarHBondContact O-NE2 3.09Å
123T61.3Low64.3Low123 Ų123107.5 Ų107.576%0.75556%0.56SS**  trans-73.85.4-175.1-28.80000111.8K121 F141K121-T123 VanDerWaalsContact C-N 3.29Å; K121-T123 PolarHBondContact O-N 3.34Å; K121-T123 PolarHBondContact O-OG1 2.91Å; T123-F141 WeakPolarHBondContact O-CE1 3.35Å
124D83.4Confident66.8Low120 Ų120103.9 Ų103.964%0.64255%0.55SS*.  trans-124.8144.2-172.2-141.3-1.3000109.1S122S122-D124 PolarHBondContact O-N 3.43Å; S122-D124 PolarHBondContact OG-O 3Å
125Y94.2Very high69.2Low49 Ų4999.7 Ų99.719%0.19254%0.541CS..  trans-104150.5173.259.9-89.6000110.5E127 F141 F195 F197 R198Y125-E127 HydrophobicContact CD2-CB 4.28Å; Y125-E127 HydrophobicContact CE2-CB 4Å; Y125-F141 HydrophobicContact CD1-CB 3.97Å; Y125-F141 AromaticContact CD1-CD1 3.74Å; Y125-F141 HydrophobicContact CD1-CD1 3.74Å; Y125-F141 AromaticContact CD1-CD2 3.5Å; Y125-F141 HydrophobicContact CD1-CD2 3.5Å; Y125-F141 HydrophobicContact CD1-CE1 4.08Å; Y125-F141 AromaticContact CD1-CE2 3.89Å; Y125-F141 HydrophobicContact CD1-CE2 3.89Å; Y125-F141 AromaticContact CD1-CG 3.43Å; Y125-F141 HydrophobicContact CD1-CG 3.43Å; Y125-F141 VanDerWaalsContact CD1-CG 3.43Å; Y125-F141 HydrophobicContact CD1-CZ 4.16Å; Y125-F141 HydrophobicContact CE1-CB 4.03Å; Y125-F141 HydrophobicContact CE1-CD1 4.23Å; Y125-F141 HydrophobicContact CE1-CD2 4.4Å; Y125-F141 AromaticContact CE1-CG 3.95Å; Y125-F141 HydrophobicContact CE1-CG 3.95Å; Y125-F141 HydrophobicContact CG-CD2 4Å; Y125-F141 HydrophobicContact CG-CE2 4.2Å; Y125-F141 HydrophobicContact CG-CG 4.36Å; Y125-F195 HydrophobicContact CD2-CE2 4.15Å; Y125-F195 AromaticContact CD2-CZ 3.83Å; Y125-F195 HydrophobicContact CD2-CZ 3.83Å; Y125-F195 HydrophobicContact CE1-CZ 4.14Å; Y125-F195 AromaticContact CE2-CE2 3.57Å; Y125-F195 HydrophobicContact CE2-CE2 3.57Å; Y125-F195 AromaticContact CE2-CZ 3.36Å; Y125-F195 HydrophobicContact CE2-CZ 3.36Å; Y125-F195 HydrophobicContact CG-CZ 4.4Å; Y125-F195 AromaticContact CZ-CZ 3.54Å; Y125-F197 HydrophobicContact CD2-CB 3.58Å; Y125-F197 HydrophobicContact CD2-CD2 4.31Å; Y125-F197 HydrophobicContact CD2-CG 4.06Å; Y125-F197 HydrophobicContact CE2-CB 4.38Å; Y125-F197 HydrophobicContact CG-CB 4.16Å; Y125-F197 HydrophobicContact CG-CD2 4.03Å; Y125-F197 HydrophobicContact CG-CG 4.22Å; Y125-R198 WeakPolarHBondContact CA-O 3.39Å
126Q95.3Very high71.5Confident118 Ų11892.8 Ų92.855%0.55150%0.504SS*.EExtended strand (participates in β ladder)trans-89.9106.3168.2178.9-178.831.700109I128 F197 R198Q126-I128 PolarHBondContact O-N 3.07Å; Q126-F197 CarbonylContact O-C 3.6Å; Q126-F197 VanDerWaalsContact O-CA 3.25Å; Q126-F197 WeakPolarHBondContact O-CA 3.36Å; Q126-F197 WeakPolarHBondContact O-CB 3.5Å; Q126-R198 HydrophobicContact CB-CB 4.27Å; Q126-R198 PolarHBondContact N-O 3.29Å; Q126-R198 PolarHBondContact O-N 3.21Å
127E95.8Very high74.4Confident81 Ų8191.1 Ų91.138%0.37949%0.49SS..EExtended strand (participates in β ladder)trans-64133.5172.5-166.6171.9162.100110.7Y125 K137 F195Y125-E127 HydrophobicContact CD2-CB 4.28Å; Y125-E127 HydrophobicContact CE2-CB 4Å; E127-K137 WeakPolarHBondContact OE1-CE 3.43Å; E127-K137 IonicContact OE1-NZ 3.34Å; E127-K137 PolarHBondContact OE1-NZ 2.97Å; E127-K137 IonicContact OE2-NZ 3.91Å; E127-K137 PolarHBondContact OE2-NZ 3.3Å; E127-F195 HydrophobicContact CG-CE2 4.16Å
128I96.1Very high77.1Confident76 Ų7689.8 Ų89.839%0.3948%0.478SS..EExtended strand (participates in β ladder)trans-104.3-46.8176.2-63.2168000109.6Q126 Y183 C196 R198 V203Q126-I128 PolarHBondContact O-N 3.07Å; I128-Y183 HydrophobicContact CD1-CE1 4.42Å; I128-C196 HydrophobicContact CB-CB 4.47Å; I128-C196 PolarHBondContact N-O 3.24Å; I128-R198 HydrophobicContact CD1-CB 4.28Å; I128-V203 HydrophobicContact CD1-CB 4.48Å; I128-V203 HydrophobicContact CD1-CG1 3.53Å; I128-V203 HydrophobicContact CD1-CG2 4.19Å
129S95.5Very high79.9Confident53 Ų5384 Ų8437%0.37146%0.456SS..EExtended strand (participates in β ladder)trans-165.1158.5175.8600000110.4C196S129-C196 PolarHBondContact N-O 3.14Å; S129-C196 VanDerWaalsContact N-O 3.14Å; S129-C196 CarbonylContact O-C 3.5Å; S129-C196 WeakPolarHBondContact O-CA 3.22Å; S129-C196 WeakPolarHBondContact O-CB 3.45Å; S129-C196 PolarHBondContact O-N 2.99Å
130G94.4Very high82.8Confident31 Ų3175.6 Ų75.632%0.3241%0.412SS..EExtended strand (participates in β ladder)trans162157.1175.300000111.1S194G130-S194 CarbonylContact C-O 3.59Å; G130-S194 WeakPolarHBondContact CA-O 3.37Å
131D91.9Very high85.7Confident63 Ų6370.5 Ų70.534%0.33739%0.385SS..  trans-1223.8177.570-16.5000112.5Y189 G192 Y193 S194D131-Y189 WeakPolarHBondContact OD2-CE2 3.49Å; D131-G192 VanDerWaalsContact CG-N 3.27Å; D131-G192 PolarHBondContact OD1-N 2.98Å; D131-G192 PolarHBondContact OD2-N 3.19Å; D131-Y193 PolarHBondContact OD1-N 3.5Å; D131-S194 PolarHBondContact N-O 3.4Å; D131-S194 PolarHBondContact OD1-N 3.07Å
132M93.1Very high88.1Confident6 Ų666.7 Ų66.73%0.0338%0.379CS..SBendtrans-62.1144173.6-75.3-174.8-15100112.5L136 K137 I140 W174 G192 Y193 S194 F195M132-L136 HydrophobicContact CB-CD2 4.45Å; M132-L136 HydrophobicContact CG-CD2 4.03Å; M132-L136 HydrophobicContact SD-CD2 3.84Å; M132-L136 HydrophobicContact SD-CG 3.96Å; M132-K137 HydrophobicContact CB-CG 3.77Å; M132-K137 WeakPolarHBondContact O-CE 3.35Å; M132-I140 HydrophobicContact CE-CD1 3.84Å; M132-I140 HydrophobicContact SD-CD1 3.42Å; M132-I140 WeakPolarHBondContact SD-CD1 3.04Å; M132-W174 HydrophobicContact CE-CH2 3.51Å; M132-W174 HydrophobicContact CE-CZ3 3.48Å; M132-W174 VanDerWaalsContact CE-CZ3 3.48Å; M132-W174 HydrophobicContact SD-CH2 4.3Å; M132-G192 WeakPolarHBondContact CG-O 3.36Å; M132-Y193 WeakPolarHBondContact CE-O 3.3Å; M132-S194 WeakPolarHBondContact CG-O 3.4Å; M132-S194 PolarHBondContact N-O 3.42Å; M132-F195 HydrophobicContact CE-CB 3.44Å; M132-F195 VanDerWaalsContact CE-CB 3.44Å; M132-F195 HydrophobicContact CG-CB 4.22Å; M132-F195 HydrophobicContact SD-CB 3.54Å; M132-F195 VanDerWaalsContact SD-CB 3.54Å; M132-F195 HydrophobicContact SD-CD1 4.5Å; M132-F195 HydrophobicContact SD-CG 4.35Å
133P88.8Confident90.4Very high77 Ų7764.3 Ų64.350%0.536%0.361SS..  trans-57.8149.2166.7-22.433.4000112.2E135 L136 K137P133-E135 VanDerWaalsContact C-N 3.33Å; P133-E135 PolarHBondContact O-N 2.7Å; P133-L136 PolarHBondContact O-N 2.78Å; P133-L136 VanDerWaalsContact O-N 3.1Å; P133-K137 PolarHBondContact O-N 2.88Å
134A87.3Confident92.1Very high65 Ų6558.4 Ų58.454%0.53733%0.325SS..Hα-helixtrans-55.3-44.6-177.300000112.9L136 K137 E138A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 3.23Å; A134-K137 WeakPolarHBondContact O-CB 3.43Å; A134-K137 PolarHBondContact O-N 2.71Å; A134-K137 VanDerWaalsContact O-N 3.08Å; A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.13Å
135E83.7Confident92.6Very high156 Ų15654.5 Ų54.573%0.72931%0.306SS*.Hα-helixtrans-56.8-40.9178.2-63.5169.3-172.500112.4P133 T139P133-E135 VanDerWaalsContact C-N 3.33Å; P133-E135 PolarHBondContact O-N 2.7Å; E135-T139 PolarHBondContact O-N 3.01Å; E135-T139 VanDerWaalsContact O-N 3.13Å; E135-T139 PolarHBondContact O-OG1 3.31Å
136L87.8Confident92.6Very high25 Ų2554.9 Ų54.913%0.13131%0.309CS..Hα-helixtrans-72.1-38.7178-176.958.5000111.2M132 P133 A134 T139 I140 Y170 Y193M132-L136 HydrophobicContact CB-CD2 4.45Å; M132-L136 HydrophobicContact CG-CD2 4.03Å; M132-L136 HydrophobicContact SD-CD2 3.84Å; M132-L136 HydrophobicContact SD-CG 3.96Å; P133-L136 PolarHBondContact O-N 2.78Å; P133-L136 VanDerWaalsContact O-N 3.1Å; A134-L136 VanDerWaalsContact C-N 3.28Å; A134-L136 PolarHBondContact O-N 3.23Å; L136-T139 PolarHBondContact O-N 3.45Å; L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CD1-CG1 4.23Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CB 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 2.97Å; L136-I140 PolarHBondContact O-N 2.86Å; L136-Y170 HydrophobicContact CD1-CD1 3.9Å; L136-Y170 HydrophobicContact CD1-CE1 3.4Å; L136-Y170 VanDerWaalsContact CD1-CE1 3.4Å; L136-Y170 HydrophobicContact CD1-CE2 4.09Å; L136-Y170 HydrophobicContact CD1-CG 4.42Å; L136-Y193 HydrophobicContact CD2-CD1 4.13Å; L136-Y193 HydrophobicContact CD2-CE1 4.14Å
137K93.2Very high92.5Very high21 Ų2149.2 Ų49.29%0.09128%0.283CS..Hα-helixtrans-60.3-45.6174.7-68.7174.9170.1173.60111.6E127 M132 P133 A134 T139 I140 F141 F195E127-K137 WeakPolarHBondContact OE1-CE 3.43Å; E127-K137 IonicContact OE1-NZ 3.34Å; E127-K137 PolarHBondContact OE1-NZ 2.97Å; E127-K137 IonicContact OE2-NZ 3.91Å; E127-K137 PolarHBondContact OE2-NZ 3.3Å; M132-K137 HydrophobicContact CB-CG 3.77Å; M132-K137 WeakPolarHBondContact O-CE 3.35Å; P133-K137 PolarHBondContact O-N 2.88Å; A134-K137 WeakPolarHBondContact O-CB 3.43Å; A134-K137 PolarHBondContact O-N 2.71Å; A134-K137 VanDerWaalsContact O-N 3.08Å; K137-T139 VanDerWaalsContact C-N 3.35Å; K137-T139 PolarHBondContact O-N 3.29Å; K137-I140 PolarHBondContact O-N 2.97Å; K137-F141 VanDerWaalsContact O-CB 3.3Å; K137-F141 WeakPolarHBondContact O-CB 3.15Å; K137-F141 PolarHBondContact O-N 3.5Å; K137-F195 HydrophobicContact CB-CD1 4.27Å; K137-F195 HydrophobicContact CB-CE1 3.82Å; K137-F195 HydrophobicContact CB-CE2 4.15Å; K137-F195 HydrophobicContact CB-CZ 3.77Å; K137-F195 HydrophobicContact CD-CD2 4.02Å; K137-F195 HydrophobicContact CD-CE2 3.82Å; K137-F195 HydrophobicContact CD-CZ 4.3Å; K137-F195 HydrophobicContact CG-CD1 4.08Å; K137-F195 HydrophobicContact CG-CD2 3.83Å; K137-F195 HydrophobicContact CG-CE1 4.05Å; K137-F195 HydrophobicContact CG-CE2 3.81Å; K137-F195 HydrophobicContact CG-CG 3.98Å; K137-F195 HydrophobicContact CG-CZ 3.93Å
138E89.3Confident92.5Very high131 Ų13146.1 Ų46.161%0.61227%0.268SS*.Hα-helixtrans-59.8-45.4176.8-73.1175.7-170.800111.4A134 I140 F141 A142A134-E138 WeakPolarHBondContact O-CG 3.33Å; A134-E138 PolarHBondContact O-N 3.13Å; E138-I140 PolarHBondContact O-N 3.03Å; E138-F141 PolarHBondContact O-N 3.36Å; E138-A142 PolarHBondContact O-N 3.1Å
139T90.6Very high92.2Very high63 Ų6347.1 Ų47.139%0.38728%0.275SS..Hα-helixtrans-65.5-41.7179-49.10000111.8E135 L136 K137 F141 A142 I143 Y170E135-T139 PolarHBondContact O-N 3.01Å; E135-T139 VanDerWaalsContact O-N 3.13Å; E135-T139 PolarHBondContact O-OG1 3.31Å; L136-T139 PolarHBondContact O-N 3.45Å; K137-T139 VanDerWaalsContact C-N 3.35Å; K137-T139 PolarHBondContact O-N 3.29Å; T139-F141 VanDerWaalsContact C-N 3.34Å; T139-A142 PolarHBondContact O-N 3.18Å; T139-I143 WeakPolarHBondContact O-CG1 3.47Å; T139-I143 PolarHBondContact O-N 3.27Å; T139-I143 VanDerWaalsContact O-N 3.12Å; T139-Y170 WeakPolarHBondContact CG2-OH 3.45Å
140I94.6Very high92Very high0 Ų048.9 Ų48.90%028%0.279CS..Hα-helixtrans-66.3-38.5176.1-70.8-180000111.2M132 L136 K137 E138 A142 I143 V144 L166 Y170 W174 F195 L206M132-I140 HydrophobicContact CE-CD1 3.84Å; M132-I140 HydrophobicContact SD-CD1 3.42Å; M132-I140 WeakPolarHBondContact SD-CD1 3.04Å; L136-I140 HydrophobicContact CD1-CD1 4.15Å; L136-I140 HydrophobicContact CD1-CG1 4.23Å; L136-I140 HydrophobicContact CG-CD1 4.02Å; L136-I140 HydrophobicContact CG-CG1 4.46Å; L136-I140 WeakPolarHBondContact O-CB 3.42Å; L136-I140 VanDerWaalsContact O-CG1 3.28Å; L136-I140 WeakPolarHBondContact O-CG1 2.97Å; L136-I140 PolarHBondContact O-N 2.86Å; K137-I140 PolarHBondContact O-N 2.97Å; E138-I140 PolarHBondContact O-N 3.03Å; I140-A142 VanDerWaalsContact C-N 3.33Å; I140-I143 WeakPolarHBondContact O-CB 3.49Å; I140-I143 PolarHBondContact O-N 2.97Å; I140-V144 HydrophobicContact CG2-CG2 4.42Å; I140-V144 WeakPolarHBondContact O-CG2 3.48Å; I140-V144 PolarHBondContact O-N 3.07Å; I140-L166 HydrophobicContact CD1-CD2 4.08Å; I140-L166 HydrophobicContact CG1-CD2 3.74Å; I140-L166 HydrophobicContact CG2-CD2 4.47Å; I140-Y170 HydrophobicContact CG1-CE2 4.45Å; I140-W174 HydrophobicContact CD1-CH2 3.65Å; I140-W174 HydrophobicContact CD1-CZ3 4Å; I140-F195 HydrophobicContact CB-CD1 4.37Å; I140-F195 HydrophobicContact CG2-CD1 3.99Å; I140-F195 HydrophobicContact CG2-CE1 4.31Å; I140-L206 HydrophobicContact CG2-CD1 3.23Å
141F95.6Very high91.9Very high22 Ų2250.7 Ų50.710%0.09628%0.277CS..Hα-helixtrans-65.4-38176.8-177.8-113.4000111.8T123 Y125 K137 E138 T139 V144 T145 F197 H199T123-F141 WeakPolarHBondContact O-CE1 3.35Å; Y125-F141 HydrophobicContact CD1-CB 3.97Å; Y125-F141 AromaticContact CD1-CD1 3.74Å; Y125-F141 HydrophobicContact CD1-CD1 3.74Å; Y125-F141 AromaticContact CD1-CD2 3.5Å; Y125-F141 HydrophobicContact CD1-CD2 3.5Å; Y125-F141 HydrophobicContact CD1-CE1 4.08Å; Y125-F141 AromaticContact CD1-CE2 3.89Å; Y125-F141 HydrophobicContact CD1-CE2 3.89Å; Y125-F141 AromaticContact CD1-CG 3.43Å; Y125-F141 HydrophobicContact CD1-CG 3.43Å; Y125-F141 VanDerWaalsContact CD1-CG 3.43Å; Y125-F141 HydrophobicContact CD1-CZ 4.16Å; Y125-F141 HydrophobicContact CE1-CB 4.03Å; Y125-F141 HydrophobicContact CE1-CD1 4.23Å; Y125-F141 HydrophobicContact CE1-CD2 4.4Å; Y125-F141 AromaticContact CE1-CG 3.95Å; Y125-F141 HydrophobicContact CE1-CG 3.95Å; Y125-F141 HydrophobicContact CG-CD2 4Å; Y125-F141 HydrophobicContact CG-CE2 4.2Å; Y125-F141 HydrophobicContact CG-CG 4.36Å; K137-F141 VanDerWaalsContact O-CB 3.3Å; K137-F141 WeakPolarHBondContact O-CB 3.15Å; K137-F141 PolarHBondContact O-N 3.5Å; E138-F141 PolarHBondContact O-N 3.36Å; T139-F141 VanDerWaalsContact C-N 3.34Å; F141-V144 PolarHBondContact O-N 3.08Å; F141-T145 WeakPolarHBondContact O-CB 3.41Å; F141-T145 PolarHBondContact O-N 3.35Å; F141-T145 PolarHBondContact O-OG1 2.92Å; F141-F197 HydrophobicContact CD2-CD2 4.27Å; F141-F197 AromaticContact CD2-CE2 3.63Å; F141-F197 HydrophobicContact CD2-CE2 3.63Å; F141-F197 HydrophobicContact CD2-CZ 4.05Å; F141-F197 HydrophobicContact CE2-CE2 4.03Å; F141-H199 HydrophobicContact CE2-CB 4.04Å; F141-H199 AromaticContact CE2-CD2 3.78Å; F141-H199 AromaticContact CE2-CG 3.71Å; F141-H199 AromaticContact CZ-CD2 3.74Å; F141-H199 AromaticContact CZ-NE2 3.88Å
142A93.6Very high91.6Very high58 Ų5852.1 Ų52.148%0.47928%0.284SS..Hα-helixtrans-60.2-47.1172.600000111.5E138 T139 I140 V144 T145 E146E138-A142 PolarHBondContact O-N 3.1Å; T139-A142 PolarHBondContact O-N 3.18Å; I140-A142 VanDerWaalsContact C-N 3.33Å; A142-V144 PolarHBondContact O-N 2.86Å; A142-T145 PolarHBondContact O-N 3.44Å; A142-E146 WeakPolarHBondContact O-CB 3.42Å; A142-E146 PolarHBondContact O-N 3.45Å
143I93.8Very high91.3Very high12 Ų1258 Ų586%0.06232%0.316CS..Hα-helixtrans-57.1-48.7174.5-68.8168.1000110.6T139 I140 T145 E146 G147 W161 R165 L166 Y170T139-I143 WeakPolarHBondContact O-CG1 3.47Å; T139-I143 PolarHBondContact O-N 3.27Å; T139-I143 VanDerWaalsContact O-N 3.12Å; I140-I143 WeakPolarHBondContact O-CB 3.49Å; I140-I143 PolarHBondContact O-N 2.97Å; I143-T145 VanDerWaalsContact C-N 3.34Å; I143-T145 PolarHBondContact O-N 2.95Å; I143-E146 PolarHBondContact O-N 3.27Å; I143-G147 PolarHBondContact O-N 2.82Å; I143-W161 HydrophobicContact CG2-CE3 4.5Å; I143-W161 HydrophobicContact CG2-CH2 3.96Å; I143-W161 HydrophobicContact CG2-CZ3 3.55Å; I143-W161 WeakPolarHBondContact O-CZ3 3.32Å; I143-R165 HydrophobicContact CG2-CB 4.36Å; I143-R165 HydrophobicContact CG2-CG 4.26Å; I143-L166 HydrophobicContact CD1-CD2 4.15Å; I143-Y170 HydrophobicContact CD1-CE2 4.32Å
144V96.3Very high91.5Very high0 Ų057.9 Ų57.90%031%0.311CS..Hα-helixtrans-62.5-42.6-178.8168.70000111.6I140 F141 A142 G147 E148 I162 F197 F204 L206I140-V144 HydrophobicContact CG2-CG2 4.42Å; I140-V144 WeakPolarHBondContact O-CG2 3.48Å; I140-V144 PolarHBondContact O-N 3.07Å; F141-V144 PolarHBondContact O-N 3.08Å; A142-V144 PolarHBondContact O-N 2.86Å; V144-G147 PolarHBondContact O-N 3.34Å; V144-E148 WeakPolarHBondContact O-CG 3.36Å; V144-E148 PolarHBondContact O-N 2.91Å; V144-I162 HydrophobicContact CG1-CD1 4.42Å; V144-I162 HydrophobicContact CG2-CD1 3.92Å; V144-I162 HydrophobicContact CG2-CG1 4.23Å; V144-I162 HydrophobicContact CG2-CG2 4.19Å; V144-F197 HydrophobicContact CB-CZ 4.08Å; V144-F197 HydrophobicContact CG1-CE2 4.23Å; V144-F197 HydrophobicContact CG1-CZ 3.97Å; V144-F197 HydrophobicContact CG2-CZ 3.96Å; V144-F204 HydrophobicContact CG1-CD1 3.96Å; V144-F204 HydrophobicContact CG1-CD2 4.14Å; V144-F204 HydrophobicContact CG1-CE1 3.56Å; V144-F204 HydrophobicContact CG1-CE2 3.76Å; V144-F204 HydrophobicContact CG1-CG 4.23Å; V144-F204 HydrophobicContact CG1-CZ 3.45Å; V144-F204 VanDerWaalsContact CG1-CZ 3.45Å; V144-F204 HydrophobicContact CG2-CD1 4.44Å; V144-L206 HydrophobicContact CG2-CD1 4.09Å
145T94.5Very high91.8Very high38 Ų3856.7 Ų56.723%0.23330%0.296CS..Hα-helixtrans-62.2-44.9177.5-51.40000111.7F141 A142 I143 E148 D149F141-T145 WeakPolarHBondContact O-CB 3.41Å; F141-T145 PolarHBondContact O-N 3.35Å; F141-T145 PolarHBondContact O-OG1 2.92Å; A142-T145 PolarHBondContact O-N 3.44Å; I143-T145 VanDerWaalsContact C-N 3.34Å; I143-T145 PolarHBondContact O-N 2.95Å; T145-E148 PolarHBondContact O-N 3.49Å; T145-D149 PolarHBondContact O-N 2.93Å
146E92.7Very high92.3Very high56 Ų5656.8 Ų56.826%0.26229%0.294SS..Hα-helixtrans-58.5-49.1174.4-176.9-164171.100110.9A142 I143 E148 D149 I150 W161 R165A142-E146 WeakPolarHBondContact O-CB 3.42Å; A142-E146 PolarHBondContact O-N 3.45Å; I143-E146 PolarHBondContact O-N 3.27Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.27Å; E146-D149 PolarHBondContact O-N 3.48Å; E146-D149 VanDerWaalsContact O-N 3.15Å; E146-I150 HydrophobicContact CG-CD1 4.11Å; E146-I150 WeakPolarHBondContact O-CG1 3.3Å; E146-I150 PolarHBondContact O-N 2.77Å; E146-I150 VanDerWaalsContact O-N 3.08Å; E146-W161 HydrophobicContact CB-CH2 4.2Å; E146-W161 HydrophobicContact CG-CH2 4.12Å; E146-W161 HydrophobicContact CG-CZ2 4.45Å; E146-R165 IonicContact OE2-NE 2.64Å
147G94.1Very high92.6Very high0 Ų058.5 Ų58.50%030%0.301CS..Hα-helixtrans-59.5-41.4177.500000112.4I143 V144 D149 I150 Y151 L158I143-G147 PolarHBondContact O-N 2.82Å; V144-G147 PolarHBondContact O-N 3.34Å; G147-D149 VanDerWaalsContact C-N 3.34Å; G147-I150 PolarHBondContact O-N 2.89Å; G147-Y151 WeakPolarHBondContact O-CB 3.4Å; G147-Y151 VanDerWaalsContact O-CD2 3.32Å; G147-Y151 WeakPolarHBondContact O-CD2 3.28Å; G147-Y151 PolarHBondContact O-N 3.3Å; G147-L158 WeakPolarHBondContact O-CD1 3.45Å
148E94.8Very high92.8Very high15 Ų1557.5 Ų57.57%0.0730%0.297CS..Hα-helixtrans-65.5-35.4176.4-79.6-176.5121.200112.9V144 T145 E146 I150 N152 L158 H199 R202 F204V144-E148 WeakPolarHBondContact O-CG 3.36Å; V144-E148 PolarHBondContact O-N 2.91Å; T145-E148 PolarHBondContact O-N 3.49Å; E146-E148 VanDerWaalsContact C-N 3.31Å; E146-E148 PolarHBondContact O-N 3.27Å; E148-I150 VanDerWaalsContact C-N 3.35Å; E148-N152 WeakPolarHBondContact O-CA 3.44Å; E148-N152 PolarHBondContact O-N 3.3Å; E148-L158 HydrophobicContact CG-CD1 4.28Å; E148-L158 HydrophobicContact CG-CD2 3.67Å; E148-H199 IonicContact OE1-ND1 3.66Å; E148-H199 IonicContact OE2-CE1 3.28Å; E148-H199 PolarHBondContact OE2-CE1 3.5Å; E148-H199 VanDerWaalsContact OE2-CE1 3.31Å; E148-H199 IonicContact OE2-CG 3.96Å; E148-H199 IonicContact OE2-ND1 2.7Å; E148-H199 PolarHBondContact OE2-ND1 2.86Å; E148-R202 WeakPolarHBondContact OE1-CD 3.37Å; E148-R202 IonicContact OE1-CZ 2.73Å; E148-R202 IonicContact OE1-NE 3.01Å; E148-R202 IonicContact OE1-NH1 2.78Å; E148-R202 PolarHBondContact OE1-NH1 3.31Å; E148-F204 HydrophobicContact CG-CZ 4.15Å
149D91.6Very high93.1Very high97 Ų9753.3 Ų53.352%0.51928%0.28SS..Hα-helixtrans-66.3-37.8174.3-80.9-23.5000111.7K121 T145 E146 G147K121-D149 IonicContact NZ-OD1 3.83Å; K121-D149 PolarHBondContact NZ-OD1 3.12Å; K121-D149 IonicContact NZ-OD2 2.86Å; K121-D149 PolarHBondContact NZ-OD2 3.37Å; T145-D149 PolarHBondContact O-N 2.93Å; E146-D149 PolarHBondContact O-N 3.48Å; E146-D149 VanDerWaalsContact O-N 3.15Å; G147-D149 VanDerWaalsContact C-N 3.34Å
150I91.1Very high93.4Very high90 Ų9054.6 Ų54.646%0.46228%0.28SS..Hα-helixtrans-73.6-48178.5-62.7165.2000111.6E146 G147 E148 W161E146-I150 HydrophobicContact CG-CD1 4.11Å; E146-I150 WeakPolarHBondContact O-CG1 3.3Å; E146-I150 PolarHBondContact O-N 2.77Å; E146-I150 VanDerWaalsContact O-N 3.08Å; G147-I150 PolarHBondContact O-N 2.89Å; E148-I150 VanDerWaalsContact C-N 3.35Å; I150-W161 HydrophobicContact CD1-CZ2 4.24Å
151Y91.7Very high93.4Very high69 Ų6955.3 Ų55.327%0.27128%0.283SS..Hα-helixtrans-102.8-7.5-168.6-62.5-67.9000114.1G147 N153 N154 E157 L158 W161G147-Y151 WeakPolarHBondContact O-CB 3.4Å; G147-Y151 VanDerWaalsContact O-CD2 3.32Å; G147-Y151 WeakPolarHBondContact O-CD2 3.28Å; G147-Y151 PolarHBondContact O-N 3.3Å; Y151-N153 PolarHBondContact O-N 2.91Å; Y151-N154 WeakPolarHBondContact O-CB 3.29Å; Y151-N154 PolarHBondContact O-N 2.92Å; Y151-E157 HydrophobicContact CD1-CB 3.65Å; Y151-E157 HydrophobicContact CE1-CB 3.88Å; Y151-E157 HydrophobicContact CG-CB 4.24Å; Y151-L158 HydrophobicContact CD2-CD1 4.32Å; Y151-W161 HydrophobicContact CD2-CB 4.22Å; Y151-W161 HydrophobicContact CD2-CG 4.32Å; Y151-W161 HydrophobicContact CE2-CB 3.57Å; Y151-W161 AromaticContact CE2-CD1 3.5Å; Y151-W161 VanDerWaalsContact CE2-CD1 3.5Å; Y151-W161 AromaticContact CE2-CD2 3.96Å; Y151-W161 HydrophobicContact CE2-CD2 3.96Å; Y151-W161 AromaticContact CE2-CG 3.41Å; Y151-W161 HydrophobicContact CE2-CG 3.41Å; Y151-W161 VanDerWaalsContact CE2-CG 3.41Å; Y151-W161 AromaticContact CZ-CD1 3.82Å; Y151-W161 VanDerWaalsContact OH-CD1 3.26Å
152N84.8Confident93.5Very high94 Ų9454.2 Ų54.250%0.50328%0.278SS..THydrogen-bonded Turntrans22.2-76.3-179.9-165.316.3000116.9E148 R202E148-N152 WeakPolarHBondContact O-CA 3.44Å; E148-N152 PolarHBondContact O-N 3.3Å; N152-R202 PolarHBondContact O-NH2 2.86Å
153N86.7Confident93.7Very high128 Ų12854.2 Ų54.268%0.68427%0.267SS*.THydrogen-bonded Turntrans-1000.1-178-70.8-38.6000115.5Y151 D155Y151-N153 PolarHBondContact O-N 2.91Å; N153-D155 PolarHBondContact O-N 3.44Å
154N93.2Very high93.7Very high75 Ų7556.1 Ų56.140%0.40128%0.277SS..  trans-101.474.9-178.5-168.7-11.9000110.9Y151 K156 E157 L158Y151-N154 WeakPolarHBondContact O-CB 3.29Å; Y151-N154 PolarHBondContact O-N 2.92Å; N154-K156 PolarHBondContact O-N 3.31Å; N154-K156 VanDerWaalsContact O-N 3.09Å; N154-K156 PolarHBondContact OD1-N 3.01Å; N154-E157 VanDerWaalsContact ND2-CG 3.27Å; N154-E157 WeakPolarHBondContact ND2-CG 3.48Å; N154-E157 PolarHBondContact O-N 3.29Å; N154-E157 PolarHBondContact OD1-N 3.08Å; N154-L158 WeakPolarHBondContact O-CB 3.3Å; N154-L158 PolarHBondContact O-N 3.3Å
155D95Very high93.5Very high41 Ų4156.1 Ų56.122%0.21928%0.277CS..Hα-helixtrans-58.8-25.6-178.2-65.7-15.6000112.3N153 V159 R180 R202N153-D155 PolarHBondContact O-N 3.44Å; D155-V159 WeakPolarHBondContact O-CB 3.37Å; D155-V159 WeakPolarHBondContact O-CG1 3.49Å; D155-V159 PolarHBondContact O-N 3.15Å; D155-R180 IonicContact OD1-NE 3.13Å; D155-R180 IonicContact OD1-NH2 3.34Å; D155-R180 PolarHBondContact OD1-NH2 3.34Å; D155-R180 VanDerWaalsContact OD1-NH2 3.13Å; D155-R180 IonicContact OD2-CZ 3.39Å; D155-R180 IonicContact OD2-NE 2.78Å; D155-R180 PolarHBondContact OD2-NE 3.01Å; D155-R180 IonicContact OD2-NH2 3.15Å; D155-R180 PolarHBondContact OD2-NH2 2.97Å; D155-R180 VanDerWaalsContact OD2-NH2 3.15Å; D155-R202 IonicContact OD1-CZ 2.87Å; D155-R202 IonicContact OD1-NE 3.74Å; D155-R202 PolarHBondContact OD1-NE 2.97Å; D155-R202 IonicContact OD1-NH2 3.6Å; D155-R202 PolarHBondContact OD1-NH2 3.44Å
156K94Very high93.6Very high157 Ų15754.3 Ų54.368%0.68327%0.266SS*.Hα-helixtrans-68.1-45.1178-176.8-172.5172.9-167.50112.3N154 V159 K160N154-K156 PolarHBondContact O-N 3.31Å; N154-K156 VanDerWaalsContact O-N 3.09Å; N154-K156 PolarHBondContact OD1-N 3.01Å; K156-V159 VanDerWaalsContact O-CG1 3.3Å; K156-V159 WeakPolarHBondContact O-CG1 3.3Å; K156-K160 PolarHBondContact O-N 2.85Å
157E94.1Very high93.6Very high62 Ų6252.2 Ų52.229%0.2926%0.257SS..Hα-helixtrans-75.9-35.5176.6-63.9-52.1131.800110.9Y151 N154 V159 K160 W161Y151-E157 HydrophobicContact CD1-CB 3.65Å; Y151-E157 HydrophobicContact CE1-CB 3.88Å; Y151-E157 HydrophobicContact CG-CB 4.24Å; N154-E157 VanDerWaalsContact ND2-CG 3.27Å; N154-E157 WeakPolarHBondContact ND2-CG 3.48Å; N154-E157 PolarHBondContact O-N 3.29Å; N154-E157 PolarHBondContact OD1-N 3.08Å; E157-V159 PolarHBondContact O-N 3.37Å; E157-K160 PolarHBondContact O-N 2.68Å; E157-W161 VanDerWaalsContact O-CB 3.3Å; E157-W161 WeakPolarHBondContact O-CB 3.17Å; E157-W161 PolarHBondContact O-N 3.18Å
158L96.2Very high93.2Very high0 Ų056.8 Ų56.80%028%0.277CS..Hα-helixtrans-57.3-51.4175.2-179.957.5000112.5G147 E148 Y151 N154 K160 W161 I162 I178 F204G147-L158 WeakPolarHBondContact O-CD1 3.45Å; E148-L158 HydrophobicContact CG-CD1 4.28Å; E148-L158 HydrophobicContact CG-CD2 3.67Å; Y151-L158 HydrophobicContact CD2-CD1 4.32Å; N154-L158 WeakPolarHBondContact O-CB 3.3Å; N154-L158 PolarHBondContact O-N 3.3Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.81Å; L158-W161 PolarHBondContact O-N 2.77Å; L158-I162 HydrophobicContact CD1-CD1 3.65Å; L158-I162 HydrophobicContact CD1-CG1 4.05Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.44Å; L158-I178 HydrophobicContact CB-CD1 4.14Å; L158-I178 HydrophobicContact CD2-CD1 3.73Å; L158-I178 HydrophobicContact CG-CD1 3.65Å; L158-F204 HydrophobicContact CD2-CE1 4.37Å; L158-F204 HydrophobicContact CD2-CZ 4.44Å
159V97.1Very high92.8Very high42 Ų4259.9 Ų59.926%0.25529%0.291SS..Hα-helixtrans-62.8-38.5-179.170.80000111.7D155 K156 E157 K163 C176 I178D155-V159 WeakPolarHBondContact O-CB 3.37Å; D155-V159 WeakPolarHBondContact O-CG1 3.49Å; D155-V159 PolarHBondContact O-N 3.15Å; K156-V159 VanDerWaalsContact O-CG1 3.3Å; K156-V159 WeakPolarHBondContact O-CG1 3.3Å; E157-V159 PolarHBondContact O-N 3.37Å; V159-K163 WeakPolarHBondContact O-CB 3.39Å; V159-K163 PolarHBondContact O-N 3.15Å; V159-C176 HydrophobicContact CG2-CB 3.94Å; V159-C176 VanDerWaalsContact CG2-O 3.3Å; V159-C176 WeakPolarHBondContact CG2-O 3.46Å; V159-C176 VanDerWaalsContact CG2-SG 3.56Å; V159-I178 HydrophobicContact CB-CD1 3.78Å; V159-I178 HydrophobicContact CB-CG1 4.07Å; V159-I178 HydrophobicContact CG2-CD1 4.35Å; V159-I178 HydrophobicContact CG2-CG1 4.12Å
160K95.5Very high92.5Very high91 Ų9158 Ų5840%0.39628%0.277SS..Hα-helixtrans-65.5-47.6176.8-176.3-174.4173.5-165.90110.2K156 E157 L158 K163 L164K156-K160 PolarHBondContact O-N 2.85Å; E157-K160 PolarHBondContact O-N 2.68Å; L158-K160 VanDerWaalsContact C-N 3.3Å; L158-K160 PolarHBondContact O-N 2.81Å; K160-K163 PolarHBondContact O-N 2.8Å; K160-L164 HydrophobicContact CG-CD1 3.93Å; K160-L164 VanDerWaalsContact O-CG 3.3Å; K160-L164 WeakPolarHBondContact O-CG 3.44Å; K160-L164 PolarHBondContact O-N 2.82Å
161W95.8Very high92.3Very high14 Ų1461.5 Ų61.55%0.05329%0.289CS..Hα-helixtrans-62.5-48.1-178.5-17796.9000111.9F71 I143 E146 I150 Y151 E157 L158 K163 L164 R165F71-W161 AromaticContact CE1-CD1 3.84Å; F71-W161 AromaticContact CE1-NE1 3.74Å; I143-W161 HydrophobicContact CG2-CE3 4.5Å; I143-W161 HydrophobicContact CG2-CH2 3.96Å; I143-W161 HydrophobicContact CG2-CZ3 3.55Å; I143-W161 WeakPolarHBondContact O-CZ3 3.32Å; E146-W161 HydrophobicContact CB-CH2 4.2Å; E146-W161 HydrophobicContact CG-CH2 4.12Å; E146-W161 HydrophobicContact CG-CZ2 4.45Å; I150-W161 HydrophobicContact CD1-CZ2 4.24Å; Y151-W161 HydrophobicContact CD2-CB 4.22Å; Y151-W161 HydrophobicContact CD2-CG 4.32Å; Y151-W161 HydrophobicContact CE2-CB 3.57Å; Y151-W161 AromaticContact CE2-CD1 3.5Å; Y151-W161 VanDerWaalsContact CE2-CD1 3.5Å; Y151-W161 AromaticContact CE2-CD2 3.96Å; Y151-W161 HydrophobicContact CE2-CD2 3.96Å; Y151-W161 AromaticContact CE2-CG 3.41Å; Y151-W161 HydrophobicContact CE2-CG 3.41Å; Y151-W161 VanDerWaalsContact CE2-CG 3.41Å; Y151-W161 AromaticContact CZ-CD1 3.82Å; Y151-W161 VanDerWaalsContact OH-CD1 3.26Å; E157-W161 VanDerWaalsContact O-CB 3.3Å; E157-W161 WeakPolarHBondContact O-CB 3.17Å; E157-W161 PolarHBondContact O-N 3.18Å; L158-W161 PolarHBondContact O-N 2.77Å; W161-K163 PolarHBondContact O-N 3.04Å; W161-L164 PolarHBondContact O-N 3.35Å; W161-R165 VanDerWaalsContact CH2-CD 3.44Å; W161-R165 WeakPolarHBondContact O-CB 3.48Å; W161-R165 PolarHBondContact O-N 3.22Å
162I97.4Very high92.3Very high0 Ų065.8 Ų65.80%030%0.304CS..Hα-helixtrans-58.4-50.9178-66.9162.1000110V144 L158 L164 R165 L166 I178 F204 L206V144-I162 HydrophobicContact CG1-CD1 4.42Å; V144-I162 HydrophobicContact CG2-CD1 3.92Å; V144-I162 HydrophobicContact CG2-CG1 4.23Å; V144-I162 HydrophobicContact CG2-CG2 4.19Å; L158-I162 HydrophobicContact CD1-CD1 3.65Å; L158-I162 HydrophobicContact CD1-CG1 4.05Å; L158-I162 HydrophobicContact CG-CD1 3.79Å; L158-I162 WeakPolarHBondContact O-CG1 3.49Å; L158-I162 PolarHBondContact O-N 3.44Å; I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.31Å; I162-R165 PolarHBondContact O-N 3.45Å; I162-L166 HydrophobicContact CG2-CD1 3.75Å; I162-L166 HydrophobicContact CG2-CG 4.26Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.36Å; I162-L166 PolarHBondContact O-N 3.08Å; I162-I178 HydrophobicContact CD1-CD1 4.26Å; I162-F204 HydrophobicContact CD1-CD1 4.11Å; I162-F204 HydrophobicContact CD1-CE1 3.72Å; I162-L206 HydrophobicContact CG2-CD1 4.46Å; I162-L206 HydrophobicContact CG2-CD2 3.86Å
163K96.8Very high92.7Very high57 Ų5764 Ų6425%0.24830%0.295CS..Hα-helixtrans-56.1-47179.9173.8-101.916958.20112.1V159 K160 W161 L166 D167 W174 C176V159-K163 WeakPolarHBondContact O-CB 3.39Å; V159-K163 PolarHBondContact O-N 3.15Å; K160-K163 PolarHBondContact O-N 2.8Å; W161-K163 PolarHBondContact O-N 3.04Å; K163-L166 PolarHBondContact O-N 2.64Å; K163-D167 WeakPolarHBondContact CE-OD2 3.33Å; K163-D167 IonicContact NZ-OD2 3.79Å; K163-D167 WeakPolarHBondContact O-CB 3.5Å; K163-D167 PolarHBondContact O-N 3.38Å; K163-W174 WeakPolarHBondContact CG-O 3.45Å; K163-W174 PolarHBondContact NZ-O 2.74Å; K163-C176 HydrophobicContact CB-CB 3.87Å
164L94.2Very high93.2Very high52 Ų5258 Ų5827%0.27226%0.262SS..Hα-helixtrans-67.1-39.3-178.1-71.3174.3000111.9F71 K160 W161 I162 D167 K168F71-L164 HydrophobicContact CE2-CB 4.24Å; F71-L164 HydrophobicContact CE2-CD1 4.23Å; F71-L164 HydrophobicContact CZ-CB 3.98Å; F71-L164 HydrophobicContact CZ-CD1 4.38Å; K160-L164 HydrophobicContact CG-CD1 3.93Å; K160-L164 VanDerWaalsContact O-CG 3.3Å; K160-L164 WeakPolarHBondContact O-CG 3.44Å; K160-L164 PolarHBondContact O-N 2.82Å; W161-L164 PolarHBondContact O-N 3.35Å; I162-L164 VanDerWaalsContact C-N 3.34Å; I162-L164 PolarHBondContact O-N 3.31Å; L164-D167 PolarHBondContact O-N 2.85Å; L164-K168 PolarHBondContact O-N 3.31Å
165R92.9Very high93.5Very high1 Ų157.4 Ų57.40%0.00426%0.257CS..Hα-helixtrans-65.1-45177.5-158.6148.1178.472.25.7111.1V74 E78 I143 E146 W161 I162 D167 K168 H169V74-R165 VanDerWaalsContact CG1-NH2 3.35Å; E78-R165 IonicContact OE1-CZ 2.76Å; E78-R165 IonicContact OE1-NH2 3.31Å; E78-R165 PolarHBondContact OE1-NH2 3.47Å; E78-R165 IonicContact OE2-CZ 2.68Å; E78-R165 IonicContact OE2-NH2 2.64Å; E78-R165 PolarHBondContact OE2-NH2 2.91Å; I143-R165 HydrophobicContact CG2-CB 4.36Å; I143-R165 HydrophobicContact CG2-CG 4.26Å; E146-R165 IonicContact OE2-NE 2.64Å; W161-R165 VanDerWaalsContact CH2-CD 3.44Å; W161-R165 WeakPolarHBondContact O-CB 3.48Å; W161-R165 PolarHBondContact O-N 3.22Å; I162-R165 PolarHBondContact O-N 3.45Å; R165-D167 PolarHBondContact O-N 2.94Å; R165-K168 PolarHBondContact O-N 3.48Å; R165-H169 PolarHBondContact O-CD2 2.87Å; R165-H169 PolarHBondContact O-N 3.49Å
166L95.7Very high93.6Very high0 Ų056.4 Ų56.40%025%0.253CS..Hα-helixtrans-63.3-42.9175.3-63.6175000112.7I140 I143 I162 K163 K168 H169 Y170 W174 L206I140-L166 HydrophobicContact CD1-CD2 4.08Å; I140-L166 HydrophobicContact CG1-CD2 3.74Å; I140-L166 HydrophobicContact CG2-CD2 4.47Å; I143-L166 HydrophobicContact CD1-CD2 4.15Å; I162-L166 HydrophobicContact CG2-CD1 3.75Å; I162-L166 HydrophobicContact CG2-CG 4.26Å; I162-L166 VanDerWaalsContact O-CG 3.29Å; I162-L166 WeakPolarHBondContact O-CG 3.36Å; I162-L166 PolarHBondContact O-N 3.08Å; K163-L166 PolarHBondContact O-N 2.64Å; L166-K168 PolarHBondContact O-N 2.98Å; L166-H169 PolarHBondContact O-N 3.24Å; L166-Y170 HydrophobicContact CD2-CD2 3.87Å; L166-Y170 HydrophobicContact CD2-CE2 3.97Å; L166-Y170 PolarHBondContact O-N 3.17Å; L166-W174 HydrophobicContact CB-CB 4.05Å; L166-W174 HydrophobicContact CB-CD2 3.64Å; L166-W174 HydrophobicContact CB-CE3 4.07Å; L166-W174 HydrophobicContact CB-CG 3.63Å; L166-W174 HydrophobicContact CD1-CD2 4.11Å; L166-W174 HydrophobicContact CD1-CE3 3.62Å; L166-W174 HydrophobicContact CD1-CZ3 3.97Å; L166-W174 HydrophobicContact CG-CD2 4.41Å; L166-W174 HydrophobicContact CG-CE3 4.35Å; L166-W174 PolarHBondContact O-NE1 2.76Å; L166-L206 HydrophobicContact CD1-CD1 4.21Å; L166-L206 HydrophobicContact CD1-CD2 4.17Å
167D93.8Very high93.8Very high12 Ų1252 Ų526%0.06424%0.239CC..Hα-helixtrans-55.6-38.2174.5-98.90000112.3K163 L164 R165 K171 R172 L173 W174K163-D167 WeakPolarHBondContact CE-OD2 3.33Å; K163-D167 IonicContact NZ-OD2 3.79Å; K163-D167 WeakPolarHBondContact O-CB 3.5Å; K163-D167 PolarHBondContact O-N 3.38Å; L164-D167 PolarHBondContact O-N 2.85Å; R165-D167 PolarHBondContact O-N 2.94Å; D167-K171 CarbonylContact O-C 3.46Å; D167-K171 VanDerWaalsContact O-C 3.31Å; D167-K171 WeakPolarHBondContact O-CA 3.34Å; D167-K171 PolarHBondContact O-N 2.87Å; D167-R172 HydrophobicContact CB-CG 3.78Å; D167-R172 PolarHBondContact O-N 3.05Å; D167-R172 WeakPolarHBondContact OD1-CA 3.42Å; D167-R172 IonicContact OD2-NE 3.94Å; D167-R172 PolarHBondContact OD2-NE 2.81Å; D167-L173 WeakPolarHBondContact OD1-CA 3.34Å; D167-W174 WeakPolarHBondContact OD1-CB 3.08Å; D167-W174 PolarHBondContact OD1-N 2.73Å
168K85.1Confident94Very high96 Ų9650.5 Ų50.542%0.41723%0.233SC..Hα-helixtrans-73.9-51.6179-173.1176.6178-1780112.2E75 L164 R165 L166E75-K168 WeakPolarHBondContact OE1-CE 3.23Å; E75-K168 IonicContact OE1-NZ 2.85Å; E75-K168 PolarHBondContact OE1-NZ 2.96Å; E75-K168 IonicContact OE2-NZ 3.89Å; E75-K168 PolarHBondContact OE2-NZ 3.39Å; E75-K168 VanDerWaalsContact OE2-NZ 3.11Å; L164-K168 PolarHBondContact O-N 3.31Å; R165-K168 PolarHBondContact O-N 3.48Å; L166-K168 PolarHBondContact O-N 2.98Å
169H85Confident94Very high79 Ų7952 Ų5237%0.36624%0.242SC..Hα-helixtrans-78-32.1-173.4-66.8-72000113.7R165 L166R165-H169 PolarHBondContact O-CD2 2.87Å; R165-H169 PolarHBondContact O-N 3.49Å; L166-H169 PolarHBondContact O-N 3.24Å
170Y85.7Confident93.9Very high58 Ų5856.1 Ų56.123%0.22725%0.253CS..SBendtrans-120.720-169.5-58-68000114L136 T139 I140 I143 L166 W174 K208L136-Y170 HydrophobicContact CD1-CD1 3.9Å; L136-Y170 HydrophobicContact CD1-CE1 3.4Å; L136-Y170 VanDerWaalsContact CD1-CE1 3.4Å; L136-Y170 HydrophobicContact CD1-CE2 4.09Å; L136-Y170 HydrophobicContact CD1-CG 4.42Å; T139-Y170 WeakPolarHBondContact CG2-OH 3.45Å; I140-Y170 HydrophobicContact CG1-CE2 4.45Å; I143-Y170 HydrophobicContact CD1-CE2 4.32Å; L166-Y170 HydrophobicContact CD2-CD2 3.87Å; L166-Y170 HydrophobicContact CD2-CE2 3.97Å; L166-Y170 PolarHBondContact O-N 3.17Å; Y170-W174 HydrophobicContact CD2-CZ2 4.23Å; Y170-W174 HydrophobicContact CG-CZ2 4.13Å; Y170-K208 WeakPolarHBondContact O-CE 3.41Å
171K86.9Confident93.7Very high163 Ų16353.7 Ų53.771%0.70925%0.254SS*.  trans61.8143.8-173.1-56.4176.6179.2175.60112.5D167 W174 K208D167-K171 CarbonylContact O-C 3.46Å; D167-K171 VanDerWaalsContact O-C 3.31Å; D167-K171 WeakPolarHBondContact O-CA 3.34Å; D167-K171 PolarHBondContact O-N 2.87Å; K171-W174 PolarHBondContact O-NE1 3.03Å; K171-K208 WeakPolarHBondContact O-CE 3.12Å
172R91.2Very high93.6Very high159 Ų15962.2 Ų62.260%0.629%0.294SS*.SBendtrans-61.8157.2172.8-52.5-174.965-163.9-5.9110.8D167 K208 N211D167-R172 HydrophobicContact CB-CG 3.78Å; D167-R172 PolarHBondContact O-N 3.05Å; D167-R172 WeakPolarHBondContact OD1-CA 3.42Å; D167-R172 IonicContact OD2-NE 3.94Å; D167-R172 PolarHBondContact OD2-NE 2.81Å; R172-K208 WeakPolarHBondContact O-CE 3.31Å; R172-K208 PolarHBondContact O-NZ 3.31Å; R172-N211 VanDerWaalsContact O-CG 3.28Å; R172-N211 PolarHBondContact O-ND2 3.15Å; R172-N211 PolarHBondContact O-OD1 2.62Å
173L95.1Very high93.4Very high58 Ų5865.4 Ų65.430%0.30431%0.307SS..  cis-110.3124.4-0.4-176.869.5000112.6D167 T209D167-L173 WeakPolarHBondContact OD1-CA 3.34Å; L173-T209 PolarHBondContact O-N 2.86Å
174W97.2Very high93.2Very high0 Ų068.8 Ų68.80%034%0.337CS..EExtended strand (participates in β ladder)trans-97.5143.5175-75.581.3000112.7M132 I140 K163 L166 D167 Y170 K171 Y193 L206 K208M132-W174 HydrophobicContact CE-CH2 3.51Å; M132-W174 HydrophobicContact CE-CZ3 3.48Å; M132-W174 VanDerWaalsContact CE-CZ3 3.48Å; M132-W174 HydrophobicContact SD-CH2 4.3Å; I140-W174 HydrophobicContact CD1-CH2 3.65Å; I140-W174 HydrophobicContact CD1-CZ3 4Å; K163-W174 WeakPolarHBondContact CG-O 3.45Å; K163-W174 PolarHBondContact NZ-O 2.74Å; L166-W174 HydrophobicContact CB-CB 4.05Å; L166-W174 HydrophobicContact CB-CD2 3.64Å; L166-W174 HydrophobicContact CB-CE3 4.07Å; L166-W174 HydrophobicContact CB-CG 3.63Å; L166-W174 HydrophobicContact CD1-CD2 4.11Å; L166-W174 HydrophobicContact CD1-CE3 3.62Å; L166-W174 HydrophobicContact CD1-CZ3 3.97Å; L166-W174 HydrophobicContact CG-CD2 4.41Å; L166-W174 HydrophobicContact CG-CE3 4.35Å; L166-W174 PolarHBondContact O-NE1 2.76Å; D167-W174 WeakPolarHBondContact OD1-CB 3.08Å; D167-W174 PolarHBondContact OD1-N 2.73Å; Y170-W174 HydrophobicContact CD2-CZ2 4.23Å; Y170-W174 HydrophobicContact CG-CZ2 4.13Å; K171-W174 PolarHBondContact O-NE1 3.03Å; W174-Y193 HydrophobicContact CH2-CD1 4.24Å; W174-Y193 AromaticContact CZ2-CD1 3.94Å; W174-Y193 HydrophobicContact CZ2-CD1 3.94Å; W174-L206 HydrophobicContact CZ3-CB 4.37Å; W174-K208 HydrophobicContact CD2-CB 4.12Å; W174-K208 HydrophobicContact CD2-CG 4.4Å; W174-K208 HydrophobicContact CE3-CB 4.43Å; W174-K208 HydrophobicContact CG-CG 4.45Å; W174-K208 HydrophobicContact CZ2-CB 4.33Å; W174-K208 HydrophobicContact CZ2-CD 4.42Å
175H97.8Very high93.1Very high64 Ų6469.2 Ų69.230%0.29635%0.345SS..EExtended strand (participates in β ladder)trans-112.4135.6171.3-61.3-90.2000108.8L206 F207 T209H175-L206 WeakPolarHBondContact O-CA 3.45Å; H175-F207 HydrophobicContact CB-CD1 4.03Å; H175-F207 HydrophobicContact CB-CD2 3.96Å; H175-F207 HydrophobicContact CB-CE1 3.64Å; H175-F207 HydrophobicContact CB-CE2 3.57Å; H175-F207 HydrophobicContact CB-CG 4.18Å; H175-F207 HydrophobicContact CB-CZ 3.4Å; H175-F207 AromaticContact CD2-CD2 3.91Å; H175-F207 AromaticContact CD2-CE2 3.51Å; H175-F207 AromaticContact CG-CE2 3.52Å; H175-F207 AromaticContact CG-CZ 3.69Å; H175-F207 PolarHBondContact N-O 2.57Å; H175-F207 PolarHBondContact O-N 2.73Å; H175-F207 VanDerWaalsContact O-N 3.08Å; H175-T209 PolarHBondContact CD2-OG1 3.46Å; H175-T209 PolarHBondContact NE2-OG1 2.79Å
176C98.1Very high93Very high19 Ų1979.1 Ų79.113%0.12839%0.388CS..EExtended strand (participates in β ladder)trans-131128.2176.1-179.20000108.3V159 K163 L205 L206V159-C176 HydrophobicContact CG2-CB 3.94Å; V159-C176 VanDerWaalsContact CG2-O 3.3Å; V159-C176 WeakPolarHBondContact CG2-O 3.46Å; V159-C176 VanDerWaalsContact CG2-SG 3.56Å; K163-C176 HydrophobicContact CB-CB 3.87Å; C176-L205 WeakPolarHBondContact CA-O 3.3Å; C176-L206 HydrophobicContact CB-CD2 3.72Å; C176-L206 WeakPolarHBondContact SG-CD2 3.46Å
177V97.9Very high92.8Very high64 Ų6481.7 Ų81.739%0.38840%0.398SS..EExtended strand (participates in β ladder)trans-128.7131.5172.4-173.40000108V179 F204 L205V177-V179 HydrophobicContact CG1-CG2 3.97Å; V177-F204 WeakPolarHBondContact O-CA 3.45Å; V177-L205 HydrophobicContact CB-CB 4.19Å; V177-L205 PolarHBondContact N-O 3.04Å; V177-L205 PolarHBondContact O-N 2.89Å
178I97.7Very high92.8Very high31 Ų3185.9 Ų85.916%0.15943%0.429CS..EExtended strand (participates in β ladder)trans-112.7126173.4-57.5-179.4000107.6L158 V159 I162 R202 V203 F204L158-I178 HydrophobicContact CB-CD1 4.14Å; L158-I178 HydrophobicContact CD2-CD1 3.73Å; L158-I178 HydrophobicContact CG-CD1 3.65Å; V159-I178 HydrophobicContact CB-CD1 3.78Å; V159-I178 HydrophobicContact CB-CG1 4.07Å; V159-I178 HydrophobicContact CG2-CD1 4.35Å; V159-I178 HydrophobicContact CG2-CG1 4.12Å; I162-I178 HydrophobicContact CD1-CD1 4.26Å; I178-R202 HydrophobicContact CG2-CB 4.1Å; I178-R202 HydrophobicContact CG2-CG 3.9Å; I178-V203 WeakPolarHBondContact CA-O 3.44Å; I178-F204 HydrophobicContact CD1-CD1 4.17Å; I178-F204 HydrophobicContact CD1-CE1 3.64Å; I178-F204 HydrophobicContact CG1-CD1 3.8Å; I178-F204 HydrophobicContact CG1-CE1 3.76Å; I178-F204 HydrophobicContact CG2-CE1 4.46Å
179V96.8Very high93.2Very high32 Ų3285.3 Ų85.319%0.19443%0.425CS..EExtended strand (participates in β ladder)trans-122.5134.4177.4-175.10000110V177 R202 V203V177-V179 HydrophobicContact CG1-CG2 3.97Å; V179-R202 CarbonylContact O-C 3.59Å; V179-R202 WeakPolarHBondContact O-CA 3.26Å; V179-V203 HydrophobicContact CB-CB 4.45Å; V179-V203 PolarHBondContact N-O 2.87Å; V179-V203 PolarHBondContact O-N 3.13Å
180R94.7Very high93.5Very high128 Ų12884 Ų8448%0.48342%0.418SS..SBendtrans-101.3107.9163.1-63.9-173-175-142.91.9108.8D155 R202D155-R180 IonicContact OD1-NE 3.13Å; D155-R180 IonicContact OD1-NH2 3.34Å; D155-R180 PolarHBondContact OD1-NH2 3.34Å; D155-R180 VanDerWaalsContact OD1-NH2 3.13Å; D155-R180 IonicContact OD2-CZ 3.39Å; D155-R180 IonicContact OD2-NE 2.78Å; D155-R180 PolarHBondContact OD2-NE 3.01Å; D155-R180 IonicContact OD2-NH2 3.15Å; D155-R180 PolarHBondContact OD2-NH2 2.97Å; D155-R180 VanDerWaalsContact OD2-NH2 3.15Å; R180-R202 HydrophobicContact CG-CG 4.44Å
181G92.2Very high93.8Very high40 Ų4086.1 Ų86.141%0.41244%0.44SS..SBendtrans117.9-138.9-179.900000113.8
182Q92.5Very high94.1Very high194 Ų19479.4 Ų79.491%0.90742%0.416SS*.  trans-99.1146.7-179.3-65.9179.6-17.500110.6
183Y94.9Very high94.3Very high67 Ų6775.3 Ų75.326%0.26340%0.401SS..  trans-140.2161.517574.9-78.6000110I128 S185 C196 V203 L205I128-Y183 HydrophobicContact CD1-CE1 4.42Å; Y183-S185 WeakPolarHBondContact CE2-OG 3.39Å; Y183-C196 PolarHBondContact OH-SG 2.84Å; Y183-V203 HydrophobicContact CD1-CB 4.42Å; Y183-V203 HydrophobicContact CD1-CG1 3.93Å; Y183-V203 HydrophobicContact CE1-CB 4.31Å; Y183-V203 HydrophobicContact CE1-CG1 3.39Å; Y183-L205 HydrophobicContact CD1-CD1 4.39Å; Y183-L205 HydrophobicContact CD2-CD1 4.08Å; Y183-L205 HydrophobicContact CD2-CD2 3.9Å; Y183-L205 HydrophobicContact CE1-CD1 4.16Å; Y183-L205 HydrophobicContact CE2-CD1 3.83Å; Y183-L205 HydrophobicContact CE2-CD2 3.58Å; Y183-L205 HydrophobicContact CE2-CG 4Å; Y183-L205 HydrophobicContact CG-CD1 4.37Å
184S92.3Very high94.3Very high127 Ų12772.6 Ų72.689%0.88839%0.387SS*.  trans-136.7133.9166.8-63.60000107.1
185S92.1Very high94.4Very high61 Ų6172.6 Ų72.643%0.42739%0.387SS..  trans-144.7144.3-174.262.20000110.9Y183 Y187Y183-S185 WeakPolarHBondContact CE2-OG 3.39Å; S185-Y187 WeakPolarHBondContact OG-CE1 3.49Å
186F90.2Very high94.4Very high209 Ų20969.6 Ų69.692%0.91737%0.373SS*.  trans-135.4118.6169-167.3-85.9000107.6
187Y92.5Very high94.3Very high54 Ų5468.7 Ų68.721%0.21237%0.367CS..  trans-151.2160.1-173.758.5-84.4000110.6S185 Y189 S194 L205 F207S185-Y187 WeakPolarHBondContact OG-CE1 3.49Å; Y187-Y189 AromaticContact CD2-CD1 3.49Å; Y187-Y189 HydrophobicContact CD2-CD1 3.49Å; Y187-Y189 VanDerWaalsContact CD2-CD1 3.49Å; Y187-Y189 HydrophobicContact CD2-CE1 4.14Å; Y187-Y189 HydrophobicContact CD2-CG 4.47Å; Y187-Y189 AromaticContact CE2-CD1 3.33Å; Y187-Y189 HydrophobicContact CE2-CD1 3.33Å; Y187-Y189 AromaticContact CE2-CE1 3.72Å; Y187-Y189 HydrophobicContact CE2-CE1 3.72Å; Y187-Y189 HydrophobicContact CE2-CG 4.27Å; Y187-S194 PolarHBondContact OH-OG 2.92Å; Y187-L205 HydrophobicContact CE1-CD2 4.25Å; Y187-F207 HydrophobicContact CD2-CB 4.33Å; Y187-F207 AromaticContact CD2-CD1 3.72Å; Y187-F207 HydrophobicContact CD2-CD1 3.72Å; Y187-F207 AromaticContact CD2-CD2 3.79Å; Y187-F207 HydrophobicContact CD2-CD2 3.79Å; Y187-F207 AromaticContact CD2-CE1 3.87Å; Y187-F207 HydrophobicContact CD2-CE1 3.87Å; Y187-F207 AromaticContact CD2-CE2 3.93Å; Y187-F207 HydrophobicContact CD2-CE2 3.93Å; Y187-F207 AromaticContact CD2-CG 3.68Å; Y187-F207 HydrophobicContact CD2-CG 3.68Å; Y187-F207 AromaticContact CD2-CZ 3.97Å; Y187-F207 HydrophobicContact CD2-CZ 3.97Å; Y187-F207 HydrophobicContact CE2-CB 3.84Å; Y187-F207 AromaticContact CE2-CD1 3.54Å; Y187-F207 HydrophobicContact CE2-CD1 3.54Å; Y187-F207 HydrophobicContact CE2-CD2 4.16Å; Y187-F207 HydrophobicContact CE2-CE1 4.1Å; Y187-F207 AromaticContact CE2-CG 3.58Å; Y187-F207 HydrophobicContact CE2-CG 3.58Å; Y187-F207 HydrophobicContact CG-CD1 4.47Å; Y187-F207 HydrophobicContact CG-CE1 4.22Å; Y187-F207 HydrophobicContact CG-CZ 4.24Å
188S92Very high94.3Very high101 Ų10170.3 Ų70.371%0.70637%0.366SS*.  trans-109.1148.6173.7-57.50000109.7
189Y94.9Very high94.2Very high84 Ų8470.1 Ų70.133%0.32936%0.364SS..  trans-150.2163.6-175.748.5-91.9000110.1D131 Y187 S194 K208D131-Y189 WeakPolarHBondContact OD2-CE2 3.49Å; Y187-Y189 AromaticContact CD2-CD1 3.49Å; Y187-Y189 HydrophobicContact CD2-CD1 3.49Å; Y187-Y189 VanDerWaalsContact CD2-CD1 3.49Å; Y187-Y189 HydrophobicContact CD2-CE1 4.14Å; Y187-Y189 HydrophobicContact CD2-CG 4.47Å; Y187-Y189 AromaticContact CE2-CD1 3.33Å; Y187-Y189 HydrophobicContact CE2-CD1 3.33Å; Y187-Y189 AromaticContact CE2-CE1 3.72Å; Y187-Y189 HydrophobicContact CE2-CE1 3.72Å; Y187-Y189 HydrophobicContact CE2-CG 4.27Å; Y189-S194 VanDerWaalsContact CD2-CB 3.47Å; Y189-S194 VanDerWaalsContact CE2-CB 3.41Å; Y189-K208 CarbonylContact C-O 3.59Å; Y189-K208 WeakPolarHBondContact CA-O 3.27Å; Y189-K208 WeakPolarHBondContact CB-O 3.45Å
190Q91.5Very high93.9Very high50 Ų5071.1 Ų71.123%0.23438%0.381CS..  trans-65.7127.4169.9-175.3-179-32.500109.1G192 Y193 K208 P210Q190-G192 PolarHBondContact O-N 2.9Å; Q190-Y193 HydrophobicContact CB-CD2 4.23Å; Q190-Y193 HydrophobicContact CG-CD2 3.81Å; Q190-Y193 HydrophobicContact CG-CE2 4.33Å; Q190-Y193 WeakPolarHBondContact O-CB 3.06Å; Q190-Y193 PolarHBondContact O-N 2.73Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; Q190-K208 PolarHBondContact N-O 3.03Å; Q190-P210 HydrophobicContact CB-CB 4.49Å; Q190-P210 HydrophobicContact CB-CG 4Å
191P91.1Very high93.9Very high104 Ų10468.8 Ų68.868%0.67538%0.383SS*.THydrogen-bonded Turntrans-55.3136.8177.8-26.234.5000112.3Y193P191-Y193 WeakPolarHBondContact O-CD2 3.49Å
192G92.8Very high94.1Very high21 Ų2167.4 Ų67.422%0.21637%0.365CS..THydrogen-bonded Turntrans81.49.9-176.400000114.6D131 M132 Q190D131-G192 VanDerWaalsContact CG-N 3.27Å; D131-G192 PolarHBondContact OD1-N 2.98Å; D131-G192 PolarHBondContact OD2-N 3.19Å; M132-G192 WeakPolarHBondContact CG-O 3.36Å; Q190-G192 PolarHBondContact O-N 2.9Å
193Y95.8Very high94.3Very high74 Ų7458.2 Ų58.229%0.2932%0.322SS..  trans-135.732.1-176.1-64.8-91.8000113.2D131 M132 L136 W174 Q190 P191 F207 K208D131-Y193 PolarHBondContact OD1-N 3.5Å; M132-Y193 WeakPolarHBondContact CE-O 3.3Å; L136-Y193 HydrophobicContact CD2-CD1 4.13Å; L136-Y193 HydrophobicContact CD2-CE1 4.14Å; W174-Y193 HydrophobicContact CH2-CD1 4.24Å; W174-Y193 AromaticContact CZ2-CD1 3.94Å; W174-Y193 HydrophobicContact CZ2-CD1 3.94Å; Q190-Y193 HydrophobicContact CB-CD2 4.23Å; Q190-Y193 HydrophobicContact CG-CD2 3.81Å; Q190-Y193 HydrophobicContact CG-CE2 4.33Å; Q190-Y193 WeakPolarHBondContact O-CB 3.06Å; Q190-Y193 PolarHBondContact O-N 2.73Å; Q190-Y193 VanDerWaalsContact O-N 3.15Å; P191-Y193 WeakPolarHBondContact O-CD2 3.49Å; Y193-F207 VanDerWaalsContact O-CA 3.23Å; Y193-F207 WeakPolarHBondContact O-CA 3.45Å; Y193-K208 HydrophobicContact CD1-CB 4.41Å; Y193-K208 HydrophobicContact CD1-CD 4.03Å; Y193-K208 HydrophobicContact CE1-CD 4.44Å; Y193-K208 HydrophobicContact CG-CB 4.18Å; Y193-K208 HydrophobicContact CG-CD 4.24Å; Y193-K208 PolarHBondContact O-N 3.36Å
194S96.3Very high94.4Very high1 Ų155 Ų551%0.00731%0.31CS..EExtended strand (participates in β ladder)trans-114.3135.6164.7-1760000112.1G130 D131 M132 Y187 Y189G130-S194 CarbonylContact C-O 3.59Å; G130-S194 WeakPolarHBondContact CA-O 3.37Å; D131-S194 PolarHBondContact N-O 3.4Å; D131-S194 PolarHBondContact OD1-N 3.07Å; M132-S194 WeakPolarHBondContact CG-O 3.4Å; M132-S194 PolarHBondContact N-O 3.42Å; Y187-S194 PolarHBondContact OH-OG 2.92Å; Y189-S194 VanDerWaalsContact CD2-CB 3.47Å; Y189-S194 VanDerWaalsContact CE2-CB 3.41Å
195F97.6Very high94.7Very high0 Ų049.3 Ų49.30%027%0.269CS..EExtended strand (participates in β ladder)trans-149.5116.5178.5-176.1-148.2000110.4Y125 E127 M132 K137 I140 F197 L206Y125-F195 HydrophobicContact CD2-CE2 4.15Å; Y125-F195 AromaticContact CD2-CZ 3.83Å; Y125-F195 HydrophobicContact CD2-CZ 3.83Å; Y125-F195 HydrophobicContact CE1-CZ 4.14Å; Y125-F195 AromaticContact CE2-CE2 3.57Å; Y125-F195 HydrophobicContact CE2-CE2 3.57Å; Y125-F195 AromaticContact CE2-CZ 3.36Å; Y125-F195 HydrophobicContact CE2-CZ 3.36Å; Y125-F195 HydrophobicContact CG-CZ 4.4Å; Y125-F195 AromaticContact CZ-CZ 3.54Å; E127-F195 HydrophobicContact CG-CE2 4.16Å; M132-F195 HydrophobicContact CE-CB 3.44Å; M132-F195 VanDerWaalsContact CE-CB 3.44Å; M132-F195 HydrophobicContact CG-CB 4.22Å; M132-F195 HydrophobicContact SD-CB 3.54Å; M132-F195 VanDerWaalsContact SD-CB 3.54Å; M132-F195 HydrophobicContact SD-CD1 4.5Å; M132-F195 HydrophobicContact SD-CG 4.35Å; K137-F195 HydrophobicContact CB-CD1 4.27Å; K137-F195 HydrophobicContact CB-CE1 3.82Å; K137-F195 HydrophobicContact CB-CE2 4.15Å; K137-F195 HydrophobicContact CB-CZ 3.77Å; K137-F195 HydrophobicContact CD-CD2 4.02Å; K137-F195 HydrophobicContact CD-CE2 3.82Å; K137-F195 HydrophobicContact CD-CZ 4.3Å; K137-F195 HydrophobicContact CG-CD1 4.08Å; K137-F195 HydrophobicContact CG-CD2 3.83Å; K137-F195 HydrophobicContact CG-CE1 4.05Å; K137-F195 HydrophobicContact CG-CE2 3.81Å; K137-F195 HydrophobicContact CG-CG 3.98Å; K137-F195 HydrophobicContact CG-CZ 3.93Å; I140-F195 HydrophobicContact CB-CD1 4.37Å; I140-F195 HydrophobicContact CG2-CD1 3.99Å; I140-F195 HydrophobicContact CG2-CE1 4.31Å; F195-F197 AromaticContact CD1-CD1 3.6Å; F195-F197 HydrophobicContact CD1-CD1 3.6Å; F195-F197 AromaticContact CD1-CE1 3.65Å; F195-F197 HydrophobicContact CD1-CE1 3.65Å; F195-F197 HydrophobicContact CD2-CD1 4.02Å; F195-F197 AromaticContact CE1-CD1 3.27Å; F195-F197 HydrophobicContact CE1-CD1 3.27Å; F195-F197 AromaticContact CE1-CE1 3.35Å; F195-F197 HydrophobicContact CE1-CE1 3.35Å; F195-F197 HydrophobicContact CE1-CG 4.15Å; F195-F197 HydrophobicContact CE1-CZ 4.28Å; F195-F197 HydrophobicContact CE2-CB 3.93Å; F195-F197 AromaticContact CE2-CD1 3.72Å; F195-F197 HydrophobicContact CE2-CD1 3.72Å; F195-F197 HydrophobicContact CE2-CG 4.14Å; F195-F197 AromaticContact CG-CD1 3.95Å; F195-F197 HydrophobicContact CG-CD1 3.95Å; F195-F197 HydrophobicContact CG-CE1 4.39Å; F195-F197 HydrophobicContact CZ-CB 4.02Å; F195-F197 AromaticContact CZ-CD1 3.32Å; F195-F197 HydrophobicContact CZ-CD1 3.32Å; F195-F197 AromaticContact CZ-CE1 3.88Å; F195-F197 HydrophobicContact CZ-CE1 3.88Å; F195-F197 AromaticContact CZ-CG 3.79Å; F195-F197 HydrophobicContact CZ-CG 3.79Å; F195-L206 PolarHBondContact N-O 3.12Å; F195-L206 PolarHBondContact O-N 3.12Å
196C97.7Very high95Very high0 Ų046.4 Ų46.40%025%0.249CC..EExtended strand (participates in β ladder)trans-122.4123175-174.90000110.4I128 S129 Y183 F204 L205I128-C196 HydrophobicContact CB-CB 4.47Å; I128-C196 PolarHBondContact N-O 3.24Å; S129-C196 PolarHBondContact N-O 3.14Å; S129-C196 VanDerWaalsContact N-O 3.14Å; S129-C196 CarbonylContact O-C 3.5Å; S129-C196 WeakPolarHBondContact O-CA 3.22Å; S129-C196 WeakPolarHBondContact O-CB 3.45Å; S129-C196 PolarHBondContact O-N 2.99Å; Y183-C196 PolarHBondContact OH-SG 2.84Å; C196-F204 WeakPolarHBondContact CA-O 3.48Å; C196-F204 PolarHBondContact SG-O 2.72Å; C196-L205 HydrophobicContact CB-CG 4.44Å
197F97.5Very high95.4Very high0 Ų037.6 Ų37.60%021%0.21CC..EExtended strand (participates in β ladder)trans-147.5162-178.765.4-86.2000111Y125 Q126 F141 V144 F195 H199 V203 F204 L206Y125-F197 HydrophobicContact CD2-CB 3.58Å; Y125-F197 HydrophobicContact CD2-CD2 4.31Å; Y125-F197 HydrophobicContact CD2-CG 4.06Å; Y125-F197 HydrophobicContact CE2-CB 4.38Å; Y125-F197 HydrophobicContact CG-CB 4.16Å; Y125-F197 HydrophobicContact CG-CD2 4.03Å; Y125-F197 HydrophobicContact CG-CG 4.22Å; Q126-F197 CarbonylContact O-C 3.6Å; Q126-F197 VanDerWaalsContact O-CA 3.25Å; Q126-F197 WeakPolarHBondContact O-CA 3.36Å; Q126-F197 WeakPolarHBondContact O-CB 3.5Å; F141-F197 HydrophobicContact CD2-CD2 4.27Å; F141-F197 AromaticContact CD2-CE2 3.63Å; F141-F197 HydrophobicContact CD2-CE2 3.63Å; F141-F197 HydrophobicContact CD2-CZ 4.05Å; F141-F197 HydrophobicContact CE2-CE2 4.03Å; V144-F197 HydrophobicContact CB-CZ 4.08Å; V144-F197 HydrophobicContact CG1-CE2 4.23Å; V144-F197 HydrophobicContact CG1-CZ 3.97Å; V144-F197 HydrophobicContact CG2-CZ 3.96Å; F195-F197 AromaticContact CD1-CD1 3.6Å; F195-F197 HydrophobicContact CD1-CD1 3.6Å; F195-F197 AromaticContact CD1-CE1 3.65Å; F195-F197 HydrophobicContact CD1-CE1 3.65Å; F195-F197 HydrophobicContact CD2-CD1 4.02Å; F195-F197 AromaticContact CE1-CD1 3.27Å; F195-F197 HydrophobicContact CE1-CD1 3.27Å; F195-F197 AromaticContact CE1-CE1 3.35Å; F195-F197 HydrophobicContact CE1-CE1 3.35Å; F195-F197 HydrophobicContact CE1-CG 4.15Å; F195-F197 HydrophobicContact CE1-CZ 4.28Å; F195-F197 HydrophobicContact CE2-CB 3.93Å; F195-F197 AromaticContact CE2-CD1 3.72Å; F195-F197 HydrophobicContact CE2-CD1 3.72Å; F195-F197 HydrophobicContact CE2-CG 4.14Å; F195-F197 AromaticContact CG-CD1 3.95Å; F195-F197 HydrophobicContact CG-CD1 3.95Å; F195-F197 HydrophobicContact CG-CE1 4.39Å; F195-F197 HydrophobicContact CZ-CB 4.02Å; F195-F197 AromaticContact CZ-CD1 3.32Å; F195-F197 HydrophobicContact CZ-CD1 3.32Å; F195-F197 AromaticContact CZ-CE1 3.88Å; F195-F197 HydrophobicContact CZ-CE1 3.88Å; F195-F197 AromaticContact CZ-CG 3.79Å; F195-F197 HydrophobicContact CZ-CG 3.79Å; F197-H199 HydrophobicContact CD2-CB 4.26Å; F197-H199 HydrophobicContact CE2-CB 4.06Å; F197-V203 WeakPolarHBondContact O-CA 3.25Å; F197-F204 HydrophobicContact CD1-CB 4.27Å; F197-F204 HydrophobicContact CD2-CD2 4.24Å; F197-F204 HydrophobicContact CE1-CB 3.89Å; F197-F204 HydrophobicContact CE1-CG 4.49Å; F197-F204 HydrophobicContact CE2-CB 4.26Å; F197-F204 AromaticContact CE2-CD2 3.69Å; F197-F204 HydrophobicContact CE2-CD2 3.69Å; F197-F204 HydrophobicContact CE2-CE2 4.38Å; F197-F204 HydrophobicContact CE2-CG 4.16Å; F197-F204 HydrophobicContact CZ-CB 3.91Å; F197-F204 HydrophobicContact CZ-CD2 4.02Å; F197-F204 HydrophobicContact CZ-CG 4.02Å; F197-F204 PolarHBondContact N-O 2.87Å; F197-F204 VanDerWaalsContact N-O 3.12Å; F197-F204 PolarHBondContact O-N 3.49Å; F197-L206 HydrophobicContact CE1-CD1 4Å
198R96.4Very high95.5Very high99 Ų9935.4 Ų35.437%0.37420%0.202SC..EExtended strand (participates in β ladder)trans-106.5133.3171.4172.7178.4-71.1165.1-3.8109.9Y125 Q126 I128 R202 V203Y125-R198 WeakPolarHBondContact CA-O 3.39Å; Q126-R198 HydrophobicContact CB-CB 4.27Å; Q126-R198 PolarHBondContact N-O 3.29Å; Q126-R198 PolarHBondContact O-N 3.21Å; I128-R198 HydrophobicContact CD1-CB 4.28Å; R198-R202 VanDerWaalsContact CA-O 3.26Å; R198-R202 WeakPolarHBondContact CA-O 3.44Å; R198-R202 WeakPolarHBondContact CG-O 3.47Å; R198-V203 HydrophobicContact CB-CG2 4.32Å
199H95.4Very high95.6Very high26 Ų2632.8 Ų32.812%0.1218%0.182CC..EExtended strand (participates in β ladder)trans-133.6119.3168.8-175.6-129.1000108.6S122 F141 E148 F197 R202 F204S122-H199 PolarHBondContact O-NE2 3.09Å; F141-H199 HydrophobicContact CE2-CB 4.04Å; F141-H199 AromaticContact CE2-CD2 3.78Å; F141-H199 AromaticContact CE2-CG 3.71Å; F141-H199 AromaticContact CZ-CD2 3.74Å; F141-H199 AromaticContact CZ-NE2 3.88Å; E148-H199 IonicContact OE1-ND1 3.66Å; E148-H199 IonicContact OE2-CE1 3.28Å; E148-H199 PolarHBondContact OE2-CE1 3.5Å; E148-H199 VanDerWaalsContact OE2-CE1 3.31Å; E148-H199 IonicContact OE2-CG 3.96Å; E148-H199 IonicContact OE2-ND1 2.7Å; E148-H199 PolarHBondContact OE2-ND1 2.86Å; F197-H199 HydrophobicContact CD2-CB 4.26Å; F197-H199 HydrophobicContact CE2-CB 4.06Å; H199-R202 PolarHBondContact N-O 2.79Å; H199-R202 PolarHBondContact O-N 2.83Å; H199-R202 VanDerWaalsContact O-N 3.12Å; H199-F204 HydrophobicContact CB-CE2 4.14Å
200G92.5Very high95.4Very high53 Ų5332 Ų3255%0.54619%0.187SC..THydrogen-bonded Turntrans53.3-129.5-170.200000112.8R202G200-R202 VanDerWaalsContact C-N 3.26Å; G200-R202 PolarHBondContact O-N 3.46Å
201P93.2Very high94.7Very high79 Ų7934.3 Ų34.351%0.51320%0.201SC..THydrogen-bonded Turntrans-81.2-2.3-178.534.3-34.9000113.8
202R96.2Very high93.3Very high12 Ų1239.3 Ų39.35%0.04523%0.229CC..EExtended strand (participates in β ladder)trans-106.4141.1-172.4-66.4178.6-173.3937.3111.5E148 N152 D155 I178 V179 R180 R198 H199 G200 F204E148-R202 WeakPolarHBondContact OE1-CD 3.37Å; E148-R202 IonicContact OE1-CZ 2.73Å; E148-R202 IonicContact OE1-NE 3.01Å; E148-R202 IonicContact OE1-NH1 2.78Å; E148-R202 PolarHBondContact OE1-NH1 3.31Å; N152-R202 PolarHBondContact O-NH2 2.86Å; D155-R202 IonicContact OD1-CZ 2.87Å; D155-R202 IonicContact OD1-NE 3.74Å; D155-R202 PolarHBondContact OD1-NE 2.97Å; D155-R202 IonicContact OD1-NH2 3.6Å; D155-R202 PolarHBondContact OD1-NH2 3.44Å; I178-R202 HydrophobicContact CG2-CB 4.1Å; I178-R202 HydrophobicContact CG2-CG 3.9Å; V179-R202 CarbonylContact O-C 3.59Å; V179-R202 WeakPolarHBondContact O-CA 3.26Å; R180-R202 HydrophobicContact CG-CG 4.44Å; R198-R202 VanDerWaalsContact CA-O 3.26Å; R198-R202 WeakPolarHBondContact CA-O 3.44Å; R198-R202 WeakPolarHBondContact CG-O 3.47Å; H199-R202 PolarHBondContact N-O 2.79Å; H199-R202 PolarHBondContact O-N 2.83Å; H199-R202 VanDerWaalsContact O-N 3.12Å; G200-R202 VanDerWaalsContact C-N 3.26Å; G200-R202 PolarHBondContact O-N 3.46Å; R202-F204 HydrophobicContact CB-CD2 4.16Å; R202-F204 HydrophobicContact CB-CE2 3.51Å; R202-F204 HydrophobicContact CB-CZ 3.89Å; R202-F204 HydrophobicContact CG-CE2 4.46Å; R202-F204 HydrophobicContact CG-CZ 4.43Å
203V97.3Very high93.3Very high1 Ų140.2 Ų40.21%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-106.1124.1163.5-179.40000107.7I128 I178 V179 Y183 F197 R198 L205I128-V203 HydrophobicContact CD1-CB 4.48Å; I128-V203 HydrophobicContact CD1-CG1 3.53Å; I128-V203 HydrophobicContact CD1-CG2 4.19Å; I178-V203 WeakPolarHBondContact CA-O 3.44Å; V179-V203 HydrophobicContact CB-CB 4.45Å; V179-V203 PolarHBondContact N-O 2.87Å; V179-V203 PolarHBondContact O-N 3.13Å; Y183-V203 HydrophobicContact CD1-CB 4.42Å; Y183-V203 HydrophobicContact CD1-CG1 3.93Å; Y183-V203 HydrophobicContact CE1-CB 4.31Å; Y183-V203 HydrophobicContact CE1-CG1 3.39Å; F197-V203 WeakPolarHBondContact O-CA 3.25Å; R198-V203 HydrophobicContact CB-CG2 4.32Å; V203-L205 HydrophobicContact CG1-CD1 3.83Å
204F98.1Very high93.2Very high0 Ų038.4 Ų38.40%023%0.227CC..EExtended strand (participates in β ladder)trans-100.2129.3176.3-64.9-92.7000108.7V144 E148 L158 I162 V177 I178 C196 F197 H199 R202 L206V144-F204 HydrophobicContact CG1-CD1 3.96Å; V144-F204 HydrophobicContact CG1-CD2 4.14Å; V144-F204 HydrophobicContact CG1-CE1 3.56Å; V144-F204 HydrophobicContact CG1-CE2 3.76Å; V144-F204 HydrophobicContact CG1-CG 4.23Å; V144-F204 HydrophobicContact CG1-CZ 3.45Å; V144-F204 VanDerWaalsContact CG1-CZ 3.45Å; V144-F204 HydrophobicContact CG2-CD1 4.44Å; E148-F204 HydrophobicContact CG-CZ 4.15Å; L158-F204 HydrophobicContact CD2-CE1 4.37Å; L158-F204 HydrophobicContact CD2-CZ 4.44Å; I162-F204 HydrophobicContact CD1-CD1 4.11Å; I162-F204 HydrophobicContact CD1-CE1 3.72Å; V177-F204 WeakPolarHBondContact O-CA 3.45Å; I178-F204 HydrophobicContact CD1-CD1 4.17Å; I178-F204 HydrophobicContact CD1-CE1 3.64Å; I178-F204 HydrophobicContact CG1-CD1 3.8Å; I178-F204 HydrophobicContact CG1-CE1 3.76Å; I178-F204 HydrophobicContact CG2-CE1 4.46Å; C196-F204 WeakPolarHBondContact CA-O 3.48Å; C196-F204 PolarHBondContact SG-O 2.72Å; F197-F204 HydrophobicContact CD1-CB 4.27Å; F197-F204 HydrophobicContact CD2-CD2 4.24Å; F197-F204 HydrophobicContact CE1-CB 3.89Å; F197-F204 HydrophobicContact CE1-CG 4.49Å; F197-F204 HydrophobicContact CE2-CB 4.26Å; F197-F204 AromaticContact CE2-CD2 3.69Å; F197-F204 HydrophobicContact CE2-CD2 3.69Å; F197-F204 HydrophobicContact CE2-CE2 4.38Å; F197-F204 HydrophobicContact CE2-CG 4.16Å; F197-F204 HydrophobicContact CZ-CB 3.91Å; F197-F204 HydrophobicContact CZ-CD2 4.02Å; F197-F204 HydrophobicContact CZ-CG 4.02Å; F197-F204 PolarHBondContact N-O 2.87Å; F197-F204 VanDerWaalsContact N-O 3.12Å; F197-F204 PolarHBondContact O-N 3.49Å; H199-F204 HydrophobicContact CB-CE2 4.14Å; R202-F204 HydrophobicContact CB-CD2 4.16Å; R202-F204 HydrophobicContact CB-CE2 3.51Å; R202-F204 HydrophobicContact CB-CZ 3.89Å; R202-F204 HydrophobicContact CG-CE2 4.46Å; R202-F204 HydrophobicContact CG-CZ 4.43Å; F204-L206 HydrophobicContact CB-CG 4.48Å
205L98.3Very high93Very high7 Ų740.5 Ų40.54%0.03724%0.239CC..EExtended strand (participates in β ladder)trans-115111.5166.4-69.769.8000107.3C176 V177 Y183 Y187 C196 V203C176-L205 WeakPolarHBondContact CA-O 3.3Å; V177-L205 HydrophobicContact CB-CB 4.19Å; V177-L205 PolarHBondContact N-O 3.04Å; V177-L205 PolarHBondContact O-N 2.89Å; Y183-L205 HydrophobicContact CD1-CD1 4.39Å; Y183-L205 HydrophobicContact CD2-CD1 4.08Å; Y183-L205 HydrophobicContact CD2-CD2 3.9Å; Y183-L205 HydrophobicContact CE1-CD1 4.16Å; Y183-L205 HydrophobicContact CE2-CD1 3.83Å; Y183-L205 HydrophobicContact CE2-CD2 3.58Å; Y183-L205 HydrophobicContact CE2-CG 4Å; Y183-L205 HydrophobicContact CG-CD1 4.37Å; Y187-L205 HydrophobicContact CE1-CD2 4.25Å; C196-L205 HydrophobicContact CB-CG 4.44Å; V203-L205 HydrophobicContact CG1-CD1 3.83Å
206L98.3Very high92.8Very high0 Ų042.9 Ų42.90%025%0.253CS..EExtended strand (participates in β ladder)trans-119121.8-179.5-54.6176.7000108.3I140 V144 I162 L166 W174 H175 C176 F195 F197 F204I140-L206 HydrophobicContact CG2-CD1 3.23Å; V144-L206 HydrophobicContact CG2-CD1 4.09Å; I162-L206 HydrophobicContact CG2-CD1 4.46Å; I162-L206 HydrophobicContact CG2-CD2 3.86Å; L166-L206 HydrophobicContact CD1-CD1 4.21Å; L166-L206 HydrophobicContact CD1-CD2 4.17Å; W174-L206 HydrophobicContact CZ3-CB 4.37Å; H175-L206 WeakPolarHBondContact O-CA 3.45Å; C176-L206 HydrophobicContact CB-CD2 3.72Å; C176-L206 WeakPolarHBondContact SG-CD2 3.46Å; F195-L206 PolarHBondContact N-O 3.12Å; F195-L206 PolarHBondContact O-N 3.12Å; F197-L206 HydrophobicContact CE1-CD1 4Å; F204-L206 HydrophobicContact CB-CG 4.48Å
207F97.4Very high92.4Very high24 Ų2445.6 Ų45.611%0.10527%0.269CS..EExtended strand (participates in β ladder)trans-149.3149.2176.963.3-87.4000112.7H175 Y187 Y193H175-F207 HydrophobicContact CB-CD1 4.03Å; H175-F207 HydrophobicContact CB-CD2 3.96Å; H175-F207 HydrophobicContact CB-CE1 3.64Å; H175-F207 HydrophobicContact CB-CE2 3.57Å; H175-F207 HydrophobicContact CB-CG 4.18Å; H175-F207 HydrophobicContact CB-CZ 3.4Å; H175-F207 AromaticContact CD2-CD2 3.91Å; H175-F207 AromaticContact CD2-CE2 3.51Å; H175-F207 AromaticContact CG-CE2 3.52Å; H175-F207 AromaticContact CG-CZ 3.69Å; H175-F207 PolarHBondContact N-O 2.57Å; H175-F207 PolarHBondContact O-N 2.73Å; H175-F207 VanDerWaalsContact O-N 3.08Å; Y187-F207 HydrophobicContact CD2-CB 4.33Å; Y187-F207 AromaticContact CD2-CD1 3.72Å; Y187-F207 HydrophobicContact CD2-CD1 3.72Å; Y187-F207 AromaticContact CD2-CD2 3.79Å; Y187-F207 HydrophobicContact CD2-CD2 3.79Å; Y187-F207 AromaticContact CD2-CE1 3.87Å; Y187-F207 HydrophobicContact CD2-CE1 3.87Å; Y187-F207 AromaticContact CD2-CE2 3.93Å; Y187-F207 HydrophobicContact CD2-CE2 3.93Å; Y187-F207 AromaticContact CD2-CG 3.68Å; Y187-F207 HydrophobicContact CD2-CG 3.68Å; Y187-F207 AromaticContact CD2-CZ 3.97Å; Y187-F207 HydrophobicContact CD2-CZ 3.97Å; Y187-F207 HydrophobicContact CE2-CB 3.84Å; Y187-F207 AromaticContact CE2-CD1 3.54Å; Y187-F207 HydrophobicContact CE2-CD1 3.54Å; Y187-F207 HydrophobicContact CE2-CD2 4.16Å; Y187-F207 HydrophobicContact CE2-CE1 4.1Å; Y187-F207 AromaticContact CE2-CG 3.58Å; Y187-F207 HydrophobicContact CE2-CG 3.58Å; Y187-F207 HydrophobicContact CG-CD1 4.47Å; Y187-F207 HydrophobicContact CG-CE1 4.22Å; Y187-F207 HydrophobicContact CG-CZ 4.24Å; Y193-F207 VanDerWaalsContact O-CA 3.23Å; Y193-F207 WeakPolarHBondContact O-CA 3.45Å
208K96Very high92.1Very high7 Ų748.6 Ų48.63%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-101.1138.2178.4-165.6-178.1174-65.90111.5Y170 K171 R172 W174 Y189 Q190 Y193Y170-K208 WeakPolarHBondContact O-CE 3.41Å; K171-K208 WeakPolarHBondContact O-CE 3.12Å; R172-K208 WeakPolarHBondContact O-CE 3.31Å; R172-K208 PolarHBondContact O-NZ 3.31Å; W174-K208 HydrophobicContact CD2-CB 4.12Å; W174-K208 HydrophobicContact CD2-CG 4.4Å; W174-K208 HydrophobicContact CE3-CB 4.43Å; W174-K208 HydrophobicContact CG-CG 4.45Å; W174-K208 HydrophobicContact CZ2-CB 4.33Å; W174-K208 HydrophobicContact CZ2-CD 4.42Å; Y189-K208 CarbonylContact C-O 3.59Å; Y189-K208 WeakPolarHBondContact CA-O 3.27Å; Y189-K208 WeakPolarHBondContact CB-O 3.45Å; Q190-K208 PolarHBondContact N-O 3.03Å; Y193-K208 HydrophobicContact CD1-CB 4.41Å; Y193-K208 HydrophobicContact CD1-CD 4.03Å; Y193-K208 HydrophobicContact CE1-CD 4.44Å; Y193-K208 HydrophobicContact CG-CB 4.18Å; Y193-K208 HydrophobicContact CG-CD 4.24Å; Y193-K208 PolarHBondContact O-N 3.36Å
209T94.4Very high91.8Very high47 Ų4745 Ų4529%0.28828%0.281SS..PPolyproline II helixtrans-85.7138.1169.9-64.60000109.8L173 H175 N211L173-T209 PolarHBondContact O-N 2.86Å; H175-T209 PolarHBondContact CD2-OG1 3.46Å; H175-T209 PolarHBondContact NE2-OG1 2.79Å; T209-N211 PolarHBondContact O-N 2.78Å
210P89.4Confident91.5Very high66 Ų6646.5 Ų46.543%0.42929%0.293SS..PPolyproline II helixtrans-57.9136.3173.6-20.631000110.3Q190 T212Q190-P210 HydrophobicContact CB-CB 4.49Å; Q190-P210 HydrophobicContact CB-CG 4Å; P210-T212 PolarHBondContact O-N 3.42Å
211N76.9Confident91.4Very high99 Ų9945.9 Ų45.953%0.52927%0.272SS..  trans-77.5110.4170.5-66.4-8.5000106.9R172 T209R172-N211 VanDerWaalsContact O-CG 3.28Å; R172-N211 PolarHBondContact O-ND2 3.15Å; R172-N211 PolarHBondContact O-OD1 2.62Å; T209-N211 PolarHBondContact O-N 2.78Å
212T61.8Low91.3Very high209 Ų20942.9 Ų42.9100%1.28225%0.25SS*.  trans-61.30164.843.20000111.1P210P210-T212 PolarHBondContact O-N 3.42Å

Retrieved 212 of 212 residues in 46 ms (Link to these results)

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