A0A3Q0KSL0_SCHMA Loading...

SWIM-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KSL0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 594 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
1M35.6Very low60.4Low161 Ų16198.4 Ų98.479%0.79351%0.506SS*.  0113.80-69.3179.4167.400106.4
2T29.3Very low62.3Low86 Ų8690.8 Ų90.853%0.52847%0.467SS..  cis-132.1146.210.542.60000108.5R4T2-R4 WeakPolarHBondContact CB-O 3.5Å; T2-R4 PolarHBondContact O-N 3.48Å; T2-R4 PolarHBondContact OG1-O 2.93Å
3S35.8Very low63.6Low125 Ų12590.8 Ų90.887%0.87446%0.464SS*.SBendtrans-83.210.4162.651.20000112.4
4R43.5Very low64.1Low204 Ų20493.4 Ų93.477%0.7747%0.47SS*.SBendtrans-106120.3168.9-81.5-172.3176.9-175.1-0.3109.2T2 L6T2-R4 WeakPolarHBondContact CB-O 3.5Å; T2-R4 PolarHBondContact O-N 3.48Å; T2-R4 PolarHBondContact OG1-O 2.93Å; R4-L6 PolarHBondContact O-N 3.07Å
5P55.2Low64.5Low59 Ų5990.1 Ų90.138%0.38346%0.463SS..  trans-62.3129.717121.2-29000110.5Y7 C84P5-Y7 HydrophobicContact CB-CE1 3.95Å; P5-Y7 HydrophobicContact CB-CE2 4.01Å; P5-Y7 HydrophobicContact CG-CE1 4.14Å; P5-Y7 HydrophobicContact CG-CE2 3.62Å; P5-Y7 WeakPolarHBondContact CG-OH 3.42Å; P5-Y7 WeakPolarHBondContact O-CD2 3.49Å; P5-Y7 PolarHBondContact O-N 3.48Å; P5-C84 HydrophobicContact CB-CB 3.83Å
6L71.9Confident65.6Low20 Ų2085.6 Ų85.611%0.10544%0.44CS..BIsolated β-bridgetrans-89.798.2177.4-68.3167.4000108.8R4 D11 F12 Y85R4-L6 PolarHBondContact O-N 3.07Å; L6-D11 HydrophobicContact CD2-CB 3.9Å; L6-F12 HydrophobicContact CD1-CB 4.13Å; L6-F12 HydrophobicContact CD1-CD2 4.07Å; L6-Y85 PolarHBondContact O-N 3.29Å
7Y78.3Confident65.9Low138 Ų13887.8 Ų87.854%0.54145%0.445SS..  trans-82.3-23.2-173.2-61.9-72.5000114.1P5 R42 N83 C84P5-Y7 HydrophobicContact CB-CE1 3.95Å; P5-Y7 HydrophobicContact CB-CE2 4.01Å; P5-Y7 HydrophobicContact CG-CE1 4.14Å; P5-Y7 HydrophobicContact CG-CE2 3.62Å; P5-Y7 WeakPolarHBondContact CG-OH 3.42Å; P5-Y7 WeakPolarHBondContact O-CD2 3.49Å; P5-Y7 PolarHBondContact O-N 3.48Å; Y7-R42 PolarHBondContact O-NH1 3.49Å; Y7-R42 VanDerWaalsContact O-NH1 3.12Å; Y7-N83 WeakPolarHBondContact CD1-O 3.47Å; Y7-C84 HydrophobicContact CD1-CB 4.34Å; Y7-C84 HydrophobicContact CE1-CB 4.49Å
8Q81.9Confident65.7Low124 Ų12487.1 Ų87.158%0.57944%0.437SS*.SBendtrans-122.5149.2177.7-56.4-164.40.300111.8A10 D11 F12Q8-A10 VanDerWaalsContact C-N 3.29Å; Q8-A10 PolarHBondContact O-N 3.15Å; Q8-D11 WeakPolarHBondContact O-CB 3.4Å; Q8-D11 PolarHBondContact O-N 3.15Å; Q8-F12 PolarHBondContact O-N 3.38Å
9W85.6Confident65.8Low33 Ų3384.3 Ų84.313%0.12543%0.429CS..Hα-helixtrans-63.4-35.5177.8-176-102.6000112.3D11 F12 E13 Y43 V46 Y48 V78 Y85W9-D11 VanDerWaalsContact C-N 3.27Å; W9-D11 PolarHBondContact O-N 3.27Å; W9-F12 HydrophobicContact CD2-CD1 4.33Å; W9-F12 HydrophobicContact CE3-CD1 4.09Å; W9-F12 AromaticContact CH2-CD1 3.52Å; W9-F12 HydrophobicContact CH2-CD1 3.52Å; W9-F12 AromaticContact CH2-CE1 3.61Å; W9-F12 HydrophobicContact CH2-CE1 3.61Å; W9-F12 AromaticContact CZ2-CD1 3.8Å; W9-F12 HydrophobicContact CZ2-CD1 3.8Å; W9-F12 AromaticContact CZ2-CE1 3.95Å; W9-F12 HydrophobicContact CZ2-CE1 3.95Å; W9-F12 AromaticContact CZ3-CD1 3.71Å; W9-F12 HydrophobicContact CZ3-CD1 3.71Å; W9-F12 HydrophobicContact CZ3-CE1 4.18Å; W9-F12 HydrophobicContact CZ3-CG 4.38Å; W9-F12 WeakPolarHBondContact O-CB 3.28Å; W9-F12 PolarHBondContact O-N 3.16Å; W9-F12 VanDerWaalsContact O-N 3.1Å; W9-E13 HydrophobicContact CZ2-CG 4.46Å; W9-E13 PolarHBondContact NE1-OE1 3.41Å; W9-E13 PolarHBondContact O-N 3.17Å; W9-Y43 AromaticContact CD1-CE2 3.82Å; W9-Y43 AromaticContact CD2-CD2 3.38Å; W9-Y43 HydrophobicContact CD2-CD2 3.38Å; W9-Y43 AromaticContact CD2-CE2 3.8Å; W9-Y43 HydrophobicContact CD2-CE2 3.8Å; W9-Y43 HydrophobicContact CD2-CG 4.37Å; W9-Y43 AromaticContact CE2-CD2 3.55Å; W9-Y43 AromaticContact CE2-CE2 3.54Å; W9-Y43 AromaticContact CE3-CD2 3.69Å; W9-Y43 HydrophobicContact CE3-CD2 3.69Å; W9-Y43 HydrophobicContact CE3-CG 4.29Å; W9-Y43 AromaticContact CG-CD2 3.78Å; W9-Y43 HydrophobicContact CG-CD2 3.78Å; W9-Y43 AromaticContact CG-CE2 3.98Å; W9-Y43 HydrophobicContact CG-CE2 3.98Å; W9-Y43 HydrophobicContact CH2-CD2 4.33Å; W9-Y43 HydrophobicContact CZ2-CD2 4.05Å; W9-Y43 HydrophobicContact CZ2-CE2 4.1Å; W9-Y43 HydrophobicContact CZ3-CD2 4.14Å; W9-Y43 HydrophobicContact CZ3-CG 4.4Å; W9-Y43 AromaticContact NE1-CD2 3.96Å; W9-Y43 AromaticContact NE1-CE2 3.53Å; W9-V46 HydrophobicContact CH2-CB 3.62Å; W9-V46 HydrophobicContact CH2-CG1 4.04Å; W9-V46 HydrophobicContact CH2-CG2 3.25Å; W9-V46 HydrophobicContact CZ2-CB 4.37Å; W9-V46 HydrophobicContact CZ2-CG1 4.4Å; W9-V46 HydrophobicContact CZ2-CG2 3.82Å; W9-V46 HydrophobicContact CZ3-CB 4.32Å; W9-V46 HydrophobicContact CZ3-CG2 3.76Å; W9-Y48 HydrophobicContact CH2-CE2 4.14Å; W9-Y48 WeakPolarHBondContact CZ2-OH 2.97Å; W9-V78 HydrophobicContact CH2-CB 4.42Å; W9-V78 HydrophobicContact CH2-CG1 4.44Å; W9-V78 HydrophobicContact CZ3-CB 4.19Å; W9-V78 HydrophobicContact CZ3-CG1 3.79Å; W9-Y85 HydrophobicContact CB-CE2 4.02Å; W9-Y85 HydrophobicContact CE3-CD1 4.1Å; W9-Y85 HydrophobicContact CE3-CD2 4.33Å; W9-Y85 AromaticContact CE3-CE1 3.77Å; W9-Y85 HydrophobicContact CE3-CE1 3.77Å; W9-Y85 HydrophobicContact CE3-CE2 4.01Å; W9-Y85 HydrophobicContact CE3-CG 4.38Å; W9-Y85 AromaticContact CE3-CZ 3.73Å; W9-Y85 HydrophobicContact CZ3-CD1 4.21Å; W9-Y85 HydrophobicContact CZ3-CE1 4.09Å
10A75.8Confident66.5Low57 Ų5781.8 Ų81.847%0.47142%0.416SS..Hα-helixtrans-61.2-34.4176.800000112.7Q8 F12 E13 K14Q8-A10 VanDerWaalsContact C-N 3.29Å; Q8-A10 PolarHBondContact O-N 3.15Å; A10-F12 VanDerWaalsContact C-N 3.34Å; A10-E13 PolarHBondContact O-N 2.91Å; A10-K14 VanDerWaalsContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CB 3.29Å; A10-K14 PolarHBondContact O-N 3.24Å
11D71.6Confident66.2Low75 Ų7582.3 Ų82.340%0.40142%0.416SS..Hα-helixtrans-66.1-39.8175.6-61.7-40.7000111L6 Q8 W9 A15L6-D11 HydrophobicContact CD2-CB 3.9Å; Q8-D11 WeakPolarHBondContact O-CB 3.4Å; Q8-D11 PolarHBondContact O-N 3.15Å; W9-D11 VanDerWaalsContact C-N 3.27Å; W9-D11 PolarHBondContact O-N 3.27Å; D11-A15 WeakPolarHBondContact O-CB 3.33Å; D11-A15 PolarHBondContact O-N 3.49Å
12F83.5Confident67.2Low8 Ų878.7 Ų78.74%0.03540%0.399CS..Hα-helixtrans-65.4-48.3174.6168.9-99.3000111.6L6 Q8 W9 A10 K14 A15 L16 Y48 F76 V78 V87L6-F12 HydrophobicContact CD1-CB 4.13Å; L6-F12 HydrophobicContact CD1-CD2 4.07Å; Q8-F12 PolarHBondContact O-N 3.38Å; W9-F12 HydrophobicContact CD2-CD1 4.33Å; W9-F12 HydrophobicContact CE3-CD1 4.09Å; W9-F12 AromaticContact CH2-CD1 3.52Å; W9-F12 HydrophobicContact CH2-CD1 3.52Å; W9-F12 AromaticContact CH2-CE1 3.61Å; W9-F12 HydrophobicContact CH2-CE1 3.61Å; W9-F12 AromaticContact CZ2-CD1 3.8Å; W9-F12 HydrophobicContact CZ2-CD1 3.8Å; W9-F12 AromaticContact CZ2-CE1 3.95Å; W9-F12 HydrophobicContact CZ2-CE1 3.95Å; W9-F12 AromaticContact CZ3-CD1 3.71Å; W9-F12 HydrophobicContact CZ3-CD1 3.71Å; W9-F12 HydrophobicContact CZ3-CE1 4.18Å; W9-F12 HydrophobicContact CZ3-CG 4.38Å; W9-F12 WeakPolarHBondContact O-CB 3.28Å; W9-F12 PolarHBondContact O-N 3.16Å; W9-F12 VanDerWaalsContact O-N 3.1Å; A10-F12 VanDerWaalsContact C-N 3.34Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.05Å; F12-A15 CarbonylContact O-C 3.54Å; F12-A15 WeakPolarHBondContact O-CB 3.47Å; F12-A15 PolarHBondContact O-N 3.33Å; F12-A15 VanDerWaalsContact O-N 3.1Å; F12-L16 HydrophobicContact CE1-CB 4.33Å; F12-L16 HydrophobicContact CE1-CD2 4.04Å; F12-L16 HydrophobicContact CE2-CB 4.39Å; F12-L16 HydrophobicContact CZ-CB 4.01Å; F12-L16 HydrophobicContact CZ-CD2 3.88Å; F12-L16 HydrophobicContact CZ-CG 4.38Å; F12-L16 WeakPolarHBondContact O-CB 3.37Å; F12-L16 PolarHBondContact O-N 3.24Å; F12-Y48 AromaticContact CE1-CE2 3.61Å; F12-Y48 HydrophobicContact CE1-CE2 3.61Å; F12-Y48 AromaticContact CE1-CZ 3.77Å; F12-Y48 HydrophobicContact CZ-CD2 4.33Å; F12-Y48 AromaticContact CZ-CE2 3.79Å; F12-Y48 HydrophobicContact CZ-CE2 3.79Å; F12-F76 HydrophobicContact CE2-CE2 4.31Å; F12-F76 AromaticContact CZ-CE2 3.91Å; F12-F76 HydrophobicContact CZ-CE2 3.91Å; F12-F76 HydrophobicContact CZ-CZ 4.39Å; F12-V78 HydrophobicContact CD1-CG2 4.46Å; F12-V78 HydrophobicContact CD2-CG1 4.21Å; F12-V78 HydrophobicContact CD2-CG2 4.15Å; F12-V78 HydrophobicContact CE1-CG2 3.83Å; F12-V78 HydrophobicContact CE2-CG1 4.34Å; F12-V78 HydrophobicContact CE2-CG2 3.46Å; F12-V78 VanDerWaalsContact CE2-CG2 3.46Å; F12-V78 HydrophobicContact CG-CG1 4.34Å; F12-V78 HydrophobicContact CZ-CB 4.5Å; F12-V78 HydrophobicContact CZ-CG2 3.3Å; F12-V87 HydrophobicContact CD2-CG2 4.2Å; F12-V87 HydrophobicContact CE2-CG2 3.96Å
13E79.3Confident69Low91 Ų9177.3 Ų77.343%0.42539%0.391SS..Hα-helixtrans-60.2-41179.2-76.1-176.515700111.8W9 A10 L16 F17W9-E13 HydrophobicContact CZ2-CG 4.46Å; W9-E13 PolarHBondContact NE1-OE1 3.41Å; W9-E13 PolarHBondContact O-N 3.17Å; A10-E13 PolarHBondContact O-N 2.91Å; E13-L16 PolarHBondContact O-N 3.2Å; E13-F17 WeakPolarHBondContact O-CB 3.49Å; E13-F17 PolarHBondContact O-N 3.1Å
14K70.4Confident70.5Confident127 Ų12778.1 Ų78.155%0.55238%0.375SS*.Hα-helixtrans-62.3-44.5174.1-173.2172.7-176.8177.40111.3A10 F12 F17 Y18A10-K14 VanDerWaalsContact O-CB 3.3Å; A10-K14 WeakPolarHBondContact O-CB 3.29Å; A10-K14 PolarHBondContact O-N 3.24Å; F12-K14 VanDerWaalsContact C-N 3.29Å; F12-K14 PolarHBondContact O-N 3.05Å; K14-F17 PolarHBondContact O-N 2.83Å; K14-Y18 HydrophobicContact CD-CE2 4.4Å; K14-Y18 HydrophobicContact CG-CD2 4.04Å; K14-Y18 HydrophobicContact CG-CE2 3.64Å; K14-Y18 WeakPolarHBondContact O-CD2 3.36Å; K14-Y18 PolarHBondContact O-N 3.38Å; K14-Y18 VanDerWaalsContact O-N 3.13Å
15A70.7Confident71.8Confident43 Ų4369.2 Ų69.236%0.35534%0.342SS..Hα-helixtrans-64.4-41.4176.800000112.4D11 F12 Y18 A19D11-A15 WeakPolarHBondContact O-CB 3.33Å; D11-A15 PolarHBondContact O-N 3.49Å; F12-A15 CarbonylContact O-C 3.54Å; F12-A15 WeakPolarHBondContact O-CB 3.47Å; F12-A15 PolarHBondContact O-N 3.33Å; F12-A15 VanDerWaalsContact O-N 3.1Å; A15-Y18 PolarHBondContact O-N 3.01Å; A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 2.69Å
16L81.8Confident73Confident19 Ų1969.4 Ų69.410%0.09934%0.343CS..Hα-helixtrans-64.5-46.5176.6179.761000110.9F12 E13 Y18 A19 Q20 Y48 F76F12-L16 HydrophobicContact CE1-CB 4.33Å; F12-L16 HydrophobicContact CE1-CD2 4.04Å; F12-L16 HydrophobicContact CE2-CB 4.39Å; F12-L16 HydrophobicContact CZ-CB 4.01Å; F12-L16 HydrophobicContact CZ-CD2 3.88Å; F12-L16 HydrophobicContact CZ-CG 4.38Å; F12-L16 WeakPolarHBondContact O-CB 3.37Å; F12-L16 PolarHBondContact O-N 3.24Å; E13-L16 PolarHBondContact O-N 3.2Å; L16-Y18 VanDerWaalsContact C-N 3.3Å; L16-Y18 PolarHBondContact O-N 3.24Å; L16-A19 PolarHBondContact O-N 3.08Å; L16-A19 VanDerWaalsContact O-N 3.07Å; L16-Q20 HydrophobicContact CD1-CG 3.92Å; L16-Q20 HydrophobicContact CG-CG 4.23Å; L16-Q20 VanDerWaalsContact O-CG 3.28Å; L16-Q20 WeakPolarHBondContact O-CG 3.47Å; L16-Q20 PolarHBondContact O-N 3.34Å; L16-Y48 HydrophobicContact CD2-CD1 3.85Å; L16-Y48 HydrophobicContact CD2-CE1 3.37Å; L16-Y48 HydrophobicContact CD2-CE2 4.41Å; L16-F76 HydrophobicContact CD1-CE1 4.26Å; L16-F76 HydrophobicContact CD1-CZ 3.67Å; L16-F76 HydrophobicContact CD2-CZ 4.41Å
17F70.7Confident73.5Confident122 Ų12269.9 Ų69.954%0.53534%0.343SS..Hα-helixtrans-53.2-49.5175.5176.3-94.6000111.3E13 K14 A19 Q20 E21E13-F17 WeakPolarHBondContact O-CB 3.49Å; E13-F17 PolarHBondContact O-N 3.1Å; K14-F17 PolarHBondContact O-N 2.83Å; F17-A19 PolarHBondContact O-N 3.4Å; F17-Q20 PolarHBondContact O-N 3.23Å; F17-E21 HydrophobicContact CE1-CG 4.19Å; F17-E21 HydrophobicContact CZ-CG 4.12Å; F17-E21 PolarHBondContact O-N 3.33Å
18Y61.7Low73.8Confident75 Ų7566.9 Ų66.929%0.29434%0.339SS..Hα-helixtrans-63.6-40.3176.2-75.6-61000112.8K14 A15 L16 E21 I22 K363K14-Y18 HydrophobicContact CD-CE2 4.4Å; K14-Y18 HydrophobicContact CG-CD2 4.04Å; K14-Y18 HydrophobicContact CG-CE2 3.64Å; K14-Y18 WeakPolarHBondContact O-CD2 3.36Å; K14-Y18 PolarHBondContact O-N 3.38Å; K14-Y18 VanDerWaalsContact O-N 3.13Å; A15-Y18 PolarHBondContact O-N 3.01Å; L16-Y18 VanDerWaalsContact C-N 3.3Å; L16-Y18 PolarHBondContact O-N 3.24Å; Y18-E21 PolarHBondContact O-N 3.39Å; Y18-I22 WeakPolarHBondContact O-CB 3.18Å; Y18-I22 WeakPolarHBondContact O-CD1 3.43Å; Y18-I22 WeakPolarHBondContact O-CG1 3.32Å; Y18-I22 PolarHBondContact O-N 3.36Å; Y18-K363 PolarHBondContact OH-NZ 3.23Å
19A67Low74.1Confident34 Ų3464.4 Ų64.428%0.28133%0.326SS..Hα-helixtrans-62.3-44.2178.700000111.6A15 L16 F17 I22 T23A15-A19 WeakPolarHBondContact O-CB 3.42Å; A15-A19 PolarHBondContact O-N 2.69Å; L16-A19 PolarHBondContact O-N 3.08Å; L16-A19 VanDerWaalsContact O-N 3.07Å; F17-A19 PolarHBondContact O-N 3.4Å; A19-I22 PolarHBondContact O-N 3.02Å; A19-T23 WeakPolarHBondContact O-CG2 3.2Å; A19-T23 PolarHBondContact O-N 2.86Å; A19-T23 PolarHBondContact O-OG1 2.95Å
20Q80.7Confident73.9Confident35 Ų3564.7 Ų64.716%0.16433%0.333CS..Hα-helixtrans-68.2-38179.4-63.8-177.7154.200112.5L16 F17 I22 R24 I25 Y27L16-Q20 HydrophobicContact CD1-CG 3.92Å; L16-Q20 HydrophobicContact CG-CG 4.23Å; L16-Q20 VanDerWaalsContact O-CG 3.28Å; L16-Q20 WeakPolarHBondContact O-CG 3.47Å; L16-Q20 PolarHBondContact O-N 3.34Å; F17-Q20 PolarHBondContact O-N 3.23Å; Q20-I22 VanDerWaalsContact C-N 3.3Å; Q20-I22 PolarHBondContact O-N 3.48Å; Q20-R24 VanDerWaalsContact O-CA 3.28Å; Q20-R24 WeakPolarHBondContact O-CA 3.26Å; Q20-R24 PolarHBondContact O-N 3.01Å; Q20-I25 WeakPolarHBondContact CB-O 3.39Å; Q20-I25 VanDerWaalsContact CG-O 3.3Å; Q20-I25 WeakPolarHBondContact CG-O 3.31Å; Q20-Y27 HydrophobicContact CG-CD2 4.4Å; Q20-Y27 PolarHBondContact OE1-O 3.46Å
21E60.8Low74.5Confident93 Ų9365.3 Ų65.344%0.43533%0.329SS..Hα-helixtrans-61.8-40.9173.2-86.5-59.5129.400111.7F17 Y18 R24F17-E21 HydrophobicContact CE1-CG 4.19Å; F17-E21 HydrophobicContact CZ-CG 4.12Å; F17-E21 PolarHBondContact O-N 3.33Å; Y18-E21 PolarHBondContact O-N 3.39Å; E21-R24 IonicContact OE2-CZ 3.67Å; E21-R24 IonicContact OE2-NH1 2.98Å; E21-R24 PolarHBondContact OE2-NH1 2.87Å
22I56.5Low75.6Confident84 Ų8466.6 Ų66.643%0.43133%0.331SS..Hα-helixtrans-70.2-48.7179.7-69.1164.7000111.2Y18 A19 Q20 R24Y18-I22 WeakPolarHBondContact O-CB 3.18Å; Y18-I22 WeakPolarHBondContact O-CD1 3.43Å; Y18-I22 WeakPolarHBondContact O-CG1 3.32Å; Y18-I22 PolarHBondContact O-N 3.36Å; A19-I22 PolarHBondContact O-N 3.02Å; Q20-I22 VanDerWaalsContact C-N 3.3Å; Q20-I22 PolarHBondContact O-N 3.48Å; I22-R24 VanDerWaalsContact C-N 3.32Å
23T65.9Low76Confident57 Ų5769.7 Ų69.735%0.3535%0.345SS..Hα-helixtrans-81.5-14.8-174.759.50000112.8A19 I25 P98A19-T23 WeakPolarHBondContact O-CG2 3.2Å; A19-T23 PolarHBondContact O-N 2.86Å; A19-T23 PolarHBondContact O-OG1 2.95Å; T23-I25 PolarHBondContact O-N 3.18Å; T23-I25 WeakPolarHBondContact OG1-CB 3.41Å; T23-I25 PolarHBondContact OG1-N 3.31Å; T23-P98 WeakPolarHBondContact O-CB 3.5Å
24R68.6Low76.6Confident142 Ų14271 Ų7154%0.53635%0.349SS..  trans56.822-167.7-56.7-63.3-174.4-163.5-8.1113.1Q20 E21 I22 P98Q20-R24 VanDerWaalsContact O-CA 3.28Å; Q20-R24 WeakPolarHBondContact O-CA 3.26Å; Q20-R24 PolarHBondContact O-N 3.01Å; E21-R24 IonicContact OE2-CZ 3.67Å; E21-R24 IonicContact OE2-NH1 2.98Å; E21-R24 PolarHBondContact OE2-NH1 2.87Å; I22-R24 VanDerWaalsContact C-N 3.32Å; R24-P98 VanDerWaalsContact CB-O 3.28Å; R24-P98 WeakPolarHBondContact CB-O 3.43Å
25I70.4Confident77.5Confident18 Ų1867.2 Ų67.29%0.09233%0.334CS..  trans-107.7114.1177.3-62172.9000107.8Q20 T23 Y27 H94Q20-I25 WeakPolarHBondContact CB-O 3.39Å; Q20-I25 VanDerWaalsContact CG-O 3.3Å; Q20-I25 WeakPolarHBondContact CG-O 3.31Å; T23-I25 PolarHBondContact O-N 3.18Å; T23-I25 WeakPolarHBondContact OG1-CB 3.41Å; T23-I25 PolarHBondContact OG1-N 3.31Å; I25-Y27 HydrophobicContact CB-CE2 4.4Å; I25-Y27 HydrophobicContact CG2-CD2 4.1Å; I25-Y27 HydrophobicContact CG2-CE2 3.62Å; I25-H94 WeakPolarHBondContact CG2-CE1 3.46Å
26T79.6Confident78.1Confident63 Ų6372.7 Ų72.739%0.38735%0.353SS..  trans-86.5121.7176-54.50000109.9S51T26-S51 WeakPolarHBondContact O-CB 3.4Å; T26-S51 PolarHBondContact O-N 3.5Å; T26-S51 PolarHBondContact O-OG 2.97Å
27Y83.7Confident77.8Confident30 Ų3073.7 Ų73.712%0.11836%0.359CS..EExtended strand (participates in β ladder)trans-99.4138.1166.2-66.7-92.2000110.1Q20 I25 K49 F76 H94Q20-Y27 HydrophobicContact CG-CD2 4.4Å; Q20-Y27 PolarHBondContact OE1-O 3.46Å; I25-Y27 HydrophobicContact CB-CE2 4.4Å; I25-Y27 HydrophobicContact CG2-CD2 4.1Å; I25-Y27 HydrophobicContact CG2-CE2 3.62Å; Y27-K49 CarbonylContact C-O 3.56Å; Y27-K49 WeakPolarHBondContact CA-O 3.35Å; Y27-F76 AromaticContact CD1-CD1 3.89Å; Y27-F76 HydrophobicContact CD1-CD1 3.89Å; Y27-F76 AromaticContact CD1-CE1 3.56Å; Y27-F76 HydrophobicContact CD1-CE1 3.56Å; Y27-F76 AromaticContact CD2-CE1 3.78Å; Y27-F76 HydrophobicContact CD2-CE1 3.78Å; Y27-F76 AromaticContact CE1-CD1 3.8Å; Y27-F76 HydrophobicContact CE1-CD1 3.8Å; Y27-F76 AromaticContact CE1-CE1 3.86Å; Y27-F76 HydrophobicContact CE1-CE1 3.86Å; Y27-F76 HydrophobicContact CE2-CD1 4.5Å; Y27-F76 HydrophobicContact CE2-CE1 4.02Å; Y27-F76 HydrophobicContact CG-CD1 4.3Å; Y27-F76 AromaticContact CG-CE1 3.52Å; Y27-F76 HydrophobicContact CG-CE1 3.52Å; Y27-F76 HydrophobicContact CG-CZ 4.38Å; Y27-H94 AromaticContact CZ-CE1 3.87Å; Y27-H94 AromaticContact CZ-NE2 3.82Å; Y27-H94 PolarHBondContact OH-CE1 2.86Å; Y27-H94 PolarHBondContact OH-NE2 3.18Å
28V84Confident78Confident74 Ų7476.5 Ų76.545%0.44838%0.38SS..EExtended strand (participates in β ladder)trans-109.7140.7176.3-78.30000109.4S30 Y48 K49V28-S30 PolarHBondContact O-N 3.37Å; V28-Y48 WeakPolarHBondContact O-CA 3.44Å; V28-K49 WeakPolarHBondContact CG2-O 3.45Å; V28-K49 PolarHBondContact N-O 2.98Å; V28-K49 PolarHBondContact O-N 2.73Å
29K86.8Confident78.5Confident73 Ų7381.4 Ų81.432%0.31740%0.403SS..EExtended strand (participates in β ladder)trans-64.8123.2175.5-162.4177.3-145.8162.80108.3F32 Y43 V46 Y48K29-F32 HydrophobicContact CD-CD1 4.21Å; K29-F32 HydrophobicContact CG-CD1 4.39Å; K29-Y43 VanDerWaalsContact NZ-CZ 3.32Å; K29-Y43 PolarHBondContact NZ-OH 2.65Å; K29-V46 HydrophobicContact CD-CG1 4.09Å; K29-V46 HydrophobicContact CG-CG1 3.57Å; K29-Y48 HydrophobicContact CB-CE1 4.09Å; K29-Y48 HydrophobicContact CG-CE1 4.43Å
30S81.7Confident79.1Confident39 Ų3981.4 Ų81.427%0.27341%0.406SS..EExtended strand (participates in β ladder)trans-96-108.7172.162.10000109.8V28 N47V28-S30 PolarHBondContact O-N 3.37Å; S30-N47 PolarHBondContact N-O 2.97Å; S30-N47 VanDerWaalsContact OG-CB 3.26Å; S30-N47 WeakPolarHBondContact OG-CB 3.37Å; S30-N47 PolarHBondContact OG-O 3.41Å
31D89.3Confident79.2Confident70 Ų7083.6 Ų83.637%0.37442%0.422SS..EExtended strand (participates in β ladder)trans-93.4143.6-176.151.9-56.1000111.4N47D31-N47 VanDerWaalsContact CG-ND2 3.28Å; D31-N47 PolarHBondContact O-N 2.68Å; D31-N47 VanDerWaalsContact OD1-CB 3.23Å; D31-N47 WeakPolarHBondContact OD1-CB 3.19Å; D31-N47 PolarHBondContact OD1-ND2 3.23Å; D31-N47 PolarHBondContact OD2-ND2 3.17Å
32F93.4Very high80.4Confident101 Ų10181.7 Ų81.744%0.44341%0.411SS..EExtended strand (participates in β ladder)trans-149.7151.4-178.360.3-94.5000111.5K29 Y43 Y45 V46K29-F32 HydrophobicContact CD-CD1 4.21Å; K29-F32 HydrophobicContact CG-CD1 4.39Å; F32-Y43 HydrophobicContact CB-CD1 4.13Å; F32-Y43 HydrophobicContact CB-CE1 4.12Å; F32-Y43 HydrophobicContact CD2-CD1 4.09Å; F32-Y43 AromaticContact CD2-CE1 3.54Å; F32-Y43 HydrophobicContact CD2-CE1 3.54Å; F32-Y43 HydrophobicContact CE2-CE1 4.11Å; F32-Y43 HydrophobicContact CG-CD1 4.38Å; F32-Y43 AromaticContact CG-CE1 3.91Å; F32-Y43 HydrophobicContact CG-CE1 3.91Å; F32-Y45 VanDerWaalsContact CA-O 3.29Å; F32-Y45 WeakPolarHBondContact CA-O 3.5Å; F32-Y45 WeakPolarHBondContact CB-O 3.46Å; F32-V46 HydrophobicContact CB-CB 4.24Å; F32-V46 HydrophobicContact CB-CG1 4.21Å; F32-V46 HydrophobicContact CB-CG2 3.87Å
33E93.3Very high81.9Confident74 Ų7479.5 Ų79.535%0.34640%0.397SS..EExtended strand (participates in β ladder)trans-122.6139171.1-169.2-173.1148.900108.9Y43 K44 Y45E33-Y43 CarbonylContact O-C 3.48Å; E33-K44 HydrophobicContact CB-CB 4.33Å; E33-K44 HydrophobicContact CB-CD 4.41Å; E33-K44 HydrophobicContact CG-CD 4.11Å; E33-K44 PolarHBondContact O-N 2.88Å; E33-K44 WeakPolarHBondContact OE1-CD 3.14Å; E33-K44 IonicContact OE1-NZ 2.95Å; E33-K44 PolarHBondContact OE1-NZ 3.27Å; E33-K44 WeakPolarHBondContact OE2-CD 3.27Å; E33-K44 IonicContact OE2-NZ 3.61Å; E33-K44 PolarHBondContact OE2-NZ 2.93Å; E33-Y45 HydrophobicContact CB-CD1 3.76Å; E33-Y45 HydrophobicContact CB-CE1 3.33Å; E33-Y45 HydrophobicContact CB-CE2 4.46Å; E33-Y45 HydrophobicContact CB-CG 4.49Å; E33-Y45 HydrophobicContact CG-CE1 4.32Å; E33-Y45 PolarHBondContact N-O 3.27Å; E33-Y45 PolarHBondContact O-N 3.21Å; E33-Y45 WeakPolarHBondContact OE2-CE1 3.49Å
34K91.3Very high83Confident117 Ų11781 Ų8151%0.50940%0.399SS..EExtended strand (participates in β ladder)trans-102.1147.9172.7-68.6-178.7178.7179.80109.9T41 R42 Y43K34-T41 HydrophobicContact CB-CG2 4.11Å; K34-T41 HydrophobicContact CD-CG2 4.02Å; K34-T41 HydrophobicContact CG-CG2 4.49Å; K34-R42 CarbonylContact C-O 3.53Å; K34-R42 VanDerWaalsContact CA-O 3.25Å; K34-R42 WeakPolarHBondContact CA-O 3.43Å; K34-Y43 HydrophobicContact CD-CE1 4.47Å; K34-Y43 HydrophobicContact CG-CD1 3.89Å; K34-Y43 HydrophobicContact CG-CE1 3.94Å
35M88.7Confident84.2Confident48 Ų4877.2 Ų77.224%0.23639%0.385CS..EExtended strand (participates in β ladder)trans-119.8152.9169.768.1168.291.800110.2T37 T41 R42 K44 W80M35-T37 HydrophobicContact CG-CG2 3.98Å; M35-T37 HydrophobicContact SD-CG2 3.62Å; M35-T41 WeakPolarHBondContact O-CA 3.03Å; M35-R42 HydrophobicContact CG-CB 4.17Å; M35-R42 PolarHBondContact N-O 3.37Å; M35-R42 PolarHBondContact O-N 3.48Å; M35-K44 HydrophobicContact CB-CB 4.22Å; M35-K44 VanDerWaalsContact CE-CA 3.43Å; M35-K44 HydrophobicContact CE-CB 3.67Å; M35-K44 HydrophobicContact CE-CG 3.8Å; M35-K44 HydrophobicContact CG-CB 4.41Å; M35-W80 HydrophobicContact CE-CB 3.59Å; M35-W80 HydrophobicContact CE-CG 3.77Å
36H83.9Confident85.2Confident159 Ų15976.4 Ų76.474%0.73638%0.381SS*.EExtended strand (participates in β ladder)trans-92.1133.2164.3-79.1-60.1000109.9T41H36-T41 PolarHBondContact CE1-OG1 2.86Å; H36-T41 PolarHBondContact ND1-OG1 3.46Å
37T75.7Confident85.8Confident40 Ų4074.5 Ų74.525%0.24537%0.369CS..EExtended strand (participates in β ladder)trans-124.7164.8171.766.80000108.7M35 K39 G40 R42M35-T37 HydrophobicContact CG-CG2 3.98Å; M35-T37 HydrophobicContact SD-CG2 3.62Å; T37-K39 PolarHBondContact O-N 3.07Å; T37-K39 PolarHBondContact OG1-N 2.72Å; T37-G40 PolarHBondContact N-O 3.4Å; T37-G40 PolarHBondContact O-N 3.49Å; T37-G40 PolarHBondContact OG1-O 2.93Å; T37-R42 HydrophobicContact CG2-CG 4.43Å; T37-R42 PolarHBondContact OG1-NE 3.35Å
38D74.3Confident86.1Confident180 Ų18073.6 Ų73.696%0.96337%0.365SS*.THydrogen-bonded Turntrans-56.8-21.4175.9-48.6-19.8000112.8
39K73.2Confident86.4Confident178 Ų17874.7 Ų74.777%0.77436%0.364SS*.THydrogen-bonded Turntrans-97.314.4177.4-62-175.4179.2179.20113.5T37T37-K39 PolarHBondContact O-N 3.07Å; T37-K39 PolarHBondContact OG1-N 2.72Å
40G79Confident86.5Confident34 Ų3471.2 Ų71.235%0.35135%0.349SS..EExtended strand (participates in β ladder)trans103.7-174.1-179.400000114.6T37T37-G40 PolarHBondContact N-O 3.4Å; T37-G40 PolarHBondContact O-N 3.49Å; T37-G40 PolarHBondContact OG1-O 2.93Å
41T82.9Confident86.6Confident82 Ų8271.5 Ų71.550%0.50335%0.351SS..EExtended strand (participates in β ladder)trans-73.4128.1-178.9-45.20000111.1K34 M35 H36K34-T41 HydrophobicContact CB-CG2 4.11Å; K34-T41 HydrophobicContact CD-CG2 4.02Å; K34-T41 HydrophobicContact CG-CG2 4.49Å; M35-T41 WeakPolarHBondContact O-CA 3.03Å; H36-T41 PolarHBondContact CE1-OG1 2.86Å; H36-T41 PolarHBondContact ND1-OG1 3.46Å
42R86.2Confident86Confident53 Ų5371 Ų7120%0.234%0.344CS..EExtended strand (participates in β ladder)trans-126.5159.2177.9-66.9-176-177.3-110.4-7.3110.3Y7 K34 M35 T37 W80Y7-R42 PolarHBondContact O-NH1 3.49Å; Y7-R42 VanDerWaalsContact O-NH1 3.12Å; K34-R42 CarbonylContact C-O 3.53Å; K34-R42 VanDerWaalsContact CA-O 3.25Å; K34-R42 WeakPolarHBondContact CA-O 3.43Å; M35-R42 HydrophobicContact CG-CB 4.17Å; M35-R42 PolarHBondContact N-O 3.37Å; M35-R42 PolarHBondContact O-N 3.48Å; T37-R42 HydrophobicContact CG2-CG 4.43Å; T37-R42 PolarHBondContact OG1-NE 3.35Å; R42-W80 VanDerWaalsContact NH1-CZ3 3.27Å
43Y88.5Confident85.1Confident37 Ų3767.7 Ų67.715%0.14533%0.333CS..EExtended strand (participates in β ladder)trans-72.1129.3164-71.6-75.5000109.9W9 K29 F32 E33 K34 V46 Y85W9-Y43 AromaticContact CD1-CE2 3.82Å; W9-Y43 AromaticContact CD2-CD2 3.38Å; W9-Y43 HydrophobicContact CD2-CD2 3.38Å; W9-Y43 AromaticContact CD2-CE2 3.8Å; W9-Y43 HydrophobicContact CD2-CE2 3.8Å; W9-Y43 HydrophobicContact CD2-CG 4.37Å; W9-Y43 AromaticContact CE2-CD2 3.55Å; W9-Y43 AromaticContact CE2-CE2 3.54Å; W9-Y43 AromaticContact CE3-CD2 3.69Å; W9-Y43 HydrophobicContact CE3-CD2 3.69Å; W9-Y43 HydrophobicContact CE3-CG 4.29Å; W9-Y43 AromaticContact CG-CD2 3.78Å; W9-Y43 HydrophobicContact CG-CD2 3.78Å; W9-Y43 AromaticContact CG-CE2 3.98Å; W9-Y43 HydrophobicContact CG-CE2 3.98Å; W9-Y43 HydrophobicContact CH2-CD2 4.33Å; W9-Y43 HydrophobicContact CZ2-CD2 4.05Å; W9-Y43 HydrophobicContact CZ2-CE2 4.1Å; W9-Y43 HydrophobicContact CZ3-CD2 4.14Å; W9-Y43 HydrophobicContact CZ3-CG 4.4Å; W9-Y43 AromaticContact NE1-CD2 3.96Å; W9-Y43 AromaticContact NE1-CE2 3.53Å; K29-Y43 VanDerWaalsContact NZ-CZ 3.32Å; K29-Y43 PolarHBondContact NZ-OH 2.65Å; F32-Y43 HydrophobicContact CB-CD1 4.13Å; F32-Y43 HydrophobicContact CB-CE1 4.12Å; F32-Y43 HydrophobicContact CD2-CD1 4.09Å; F32-Y43 AromaticContact CD2-CE1 3.54Å; F32-Y43 HydrophobicContact CD2-CE1 3.54Å; F32-Y43 HydrophobicContact CE2-CE1 4.11Å; F32-Y43 HydrophobicContact CG-CD1 4.38Å; F32-Y43 AromaticContact CG-CE1 3.91Å; F32-Y43 HydrophobicContact CG-CE1 3.91Å; E33-Y43 CarbonylContact O-C 3.48Å; K34-Y43 HydrophobicContact CD-CE1 4.47Å; K34-Y43 HydrophobicContact CG-CD1 3.89Å; K34-Y43 HydrophobicContact CG-CE1 3.94Å; Y43-V46 HydrophobicContact CD1-CG2 3.4Å; Y43-V46 HydrophobicContact CD2-CG2 4.17Å; Y43-V46 HydrophobicContact CE1-CG2 3.99Å; Y43-V46 HydrophobicContact CG-CG2 3.5Å; Y43-V46 VanDerWaalsContact CG-CG2 3.5Å; Y43-Y85 PolarHBondContact N-OH 3.07Å; Y43-Y85 VanDerWaalsContact O-CE1 3.28Å; Y43-Y85 WeakPolarHBondContact O-CE1 3.08Å; Y43-Y85 PolarHBondContact O-OH 2.74Å
44K89.3Confident83.3Confident88 Ų8870 Ų7038%0.38335%0.352SS..EExtended strand (participates in β ladder)trans-75.9-48.3166.8-178.5-170.7-177.6-170.20110.3E33 M35 R79 W80E33-K44 HydrophobicContact CB-CB 4.33Å; E33-K44 HydrophobicContact CB-CD 4.41Å; E33-K44 HydrophobicContact CG-CD 4.11Å; E33-K44 PolarHBondContact O-N 2.88Å; E33-K44 WeakPolarHBondContact OE1-CD 3.14Å; E33-K44 IonicContact OE1-NZ 2.95Å; E33-K44 PolarHBondContact OE1-NZ 3.27Å; E33-K44 WeakPolarHBondContact OE2-CD 3.27Å; E33-K44 IonicContact OE2-NZ 3.61Å; E33-K44 PolarHBondContact OE2-NZ 2.93Å; M35-K44 HydrophobicContact CB-CB 4.22Å; M35-K44 VanDerWaalsContact CE-CA 3.43Å; M35-K44 HydrophobicContact CE-CB 3.67Å; M35-K44 HydrophobicContact CE-CG 3.8Å; M35-K44 HydrophobicContact CG-CB 4.41Å; K44-R79 WeakPolarHBondContact O-CA 3.12Å; K44-W80 PolarHBondContact O-N 3.13Å
45Y92.6Very high81.2Confident64 Ų6466.3 Ų66.325%0.25135%0.348SS..EExtended strand (participates in β ladder)trans-148.1158.6166.669.8-96.4000111.7F32 E33 V78F32-Y45 VanDerWaalsContact CA-O 3.29Å; F32-Y45 WeakPolarHBondContact CA-O 3.5Å; F32-Y45 WeakPolarHBondContact CB-O 3.46Å; E33-Y45 HydrophobicContact CB-CD1 3.76Å; E33-Y45 HydrophobicContact CB-CE1 3.33Å; E33-Y45 HydrophobicContact CB-CE2 4.46Å; E33-Y45 HydrophobicContact CB-CG 4.49Å; E33-Y45 HydrophobicContact CG-CE1 4.32Å; E33-Y45 PolarHBondContact N-O 3.27Å; E33-Y45 PolarHBondContact O-N 3.21Å; E33-Y45 WeakPolarHBondContact OE2-CE1 3.49Å; Y45-V78 CarbonylContact C-O 3.58Å; Y45-V78 WeakPolarHBondContact CA-O 3.26Å
46V92.2Very high78.7Confident0 Ų069 Ų690%037%0.369CS..EExtended strand (participates in β ladder)trans-139.3128168.6-1770000108.4W9 K29 F32 Y43 Y48 Q77 V78W9-V46 HydrophobicContact CH2-CB 3.62Å; W9-V46 HydrophobicContact CH2-CG1 4.04Å; W9-V46 HydrophobicContact CH2-CG2 3.25Å; W9-V46 HydrophobicContact CZ2-CB 4.37Å; W9-V46 HydrophobicContact CZ2-CG1 4.4Å; W9-V46 HydrophobicContact CZ2-CG2 3.82Å; W9-V46 HydrophobicContact CZ3-CB 4.32Å; W9-V46 HydrophobicContact CZ3-CG2 3.76Å; K29-V46 HydrophobicContact CD-CG1 4.09Å; K29-V46 HydrophobicContact CG-CG1 3.57Å; F32-V46 HydrophobicContact CB-CB 4.24Å; F32-V46 HydrophobicContact CB-CG1 4.21Å; F32-V46 HydrophobicContact CB-CG2 3.87Å; Y43-V46 HydrophobicContact CD1-CG2 3.4Å; Y43-V46 HydrophobicContact CD2-CG2 4.17Å; Y43-V46 HydrophobicContact CE1-CG2 3.99Å; Y43-V46 HydrophobicContact CG-CG2 3.5Å; Y43-V46 VanDerWaalsContact CG-CG2 3.5Å; V46-Y48 HydrophobicContact CB-CE2 3.99Å; V46-Y48 HydrophobicContact CG1-CD2 3.89Å; V46-Y48 HydrophobicContact CG1-CE2 3.32Å; V46-Q77 CarbonylContact O-C 3.59Å; V46-Q77 WeakPolarHBondContact O-CA 3.13Å; V46-V78 PolarHBondContact N-O 3.32Å; V46-V78 PolarHBondContact O-N 3.27Å
47N91.4Very high76.1Confident24 Ų2466.4 Ų66.413%0.12837%0.369CS..EExtended strand (participates in β ladder)trans-94.3139.9172-71.6-36.5000110.3S30 D31 Q77S30-N47 PolarHBondContact N-O 2.97Å; S30-N47 VanDerWaalsContact OG-CB 3.26Å; S30-N47 WeakPolarHBondContact OG-CB 3.37Å; S30-N47 PolarHBondContact OG-O 3.41Å; D31-N47 VanDerWaalsContact CG-ND2 3.28Å; D31-N47 PolarHBondContact O-N 2.68Å; D31-N47 VanDerWaalsContact OD1-CB 3.23Å; D31-N47 WeakPolarHBondContact OD1-CB 3.19Å; D31-N47 PolarHBondContact OD1-ND2 3.23Å; D31-N47 PolarHBondContact OD2-ND2 3.17Å; N47-Q77 WeakPolarHBondContact OD1-CB 3.14Å; N47-Q77 VanDerWaalsContact OD1-CD 3.31Å; N47-Q77 WeakPolarHBondContact OD1-CG 3.44Å; N47-Q77 PolarHBondContact OD1-NE2 2.84Å
48Y91Very high73.9Confident11 Ų1171.8 Ų71.84%0.04340%0.396CS..EExtended strand (participates in β ladder)trans-123.6134.2176.7-78.3-90000108.9W9 F12 L16 V28 K29 V46 A75 F76 V78W9-Y48 HydrophobicContact CH2-CE2 4.14Å; W9-Y48 WeakPolarHBondContact CZ2-OH 2.97Å; F12-Y48 AromaticContact CE1-CE2 3.61Å; F12-Y48 HydrophobicContact CE1-CE2 3.61Å; F12-Y48 AromaticContact CE1-CZ 3.77Å; F12-Y48 HydrophobicContact CZ-CD2 4.33Å; F12-Y48 AromaticContact CZ-CE2 3.79Å; F12-Y48 HydrophobicContact CZ-CE2 3.79Å; L16-Y48 HydrophobicContact CD2-CD1 3.85Å; L16-Y48 HydrophobicContact CD2-CE1 3.37Å; L16-Y48 HydrophobicContact CD2-CE2 4.41Å; V28-Y48 WeakPolarHBondContact O-CA 3.44Å; K29-Y48 HydrophobicContact CB-CE1 4.09Å; K29-Y48 HydrophobicContact CG-CE1 4.43Å; V46-Y48 HydrophobicContact CB-CE2 3.99Å; V46-Y48 HydrophobicContact CG1-CD2 3.89Å; V46-Y48 HydrophobicContact CG1-CE2 3.32Å; Y48-A75 CarbonylContact O-C 3.44Å; Y48-A75 WeakPolarHBondContact O-CA 3.32Å; Y48-A75 VanDerWaalsContact O-CB 3.29Å; Y48-A75 WeakPolarHBondContact O-CB 3.35Å; Y48-F76 HydrophobicContact CD1-CZ 4.14Å; Y48-F76 HydrophobicContact CD2-CD2 4.22Å; Y48-F76 AromaticContact CD2-CE2 3.43Å; Y48-F76 HydrophobicContact CD2-CE2 3.43Å; Y48-F76 VanDerWaalsContact CD2-CE2 3.43Å; Y48-F76 AromaticContact CD2-CZ 3.79Å; Y48-F76 HydrophobicContact CD2-CZ 3.79Å; Y48-F76 HydrophobicContact CE2-CE2 4.27Å; Y48-F76 HydrophobicContact CG-CD2 4.46Å; Y48-F76 HydrophobicContact CG-CE1 4.24Å; Y48-F76 AromaticContact CG-CE2 3.65Å; Y48-F76 HydrophobicContact CG-CE2 3.65Å; Y48-F76 AromaticContact CG-CZ 3.5Å; Y48-F76 HydrophobicContact CG-CZ 3.5Å; Y48-F76 VanDerWaalsContact CG-CZ 3.5Å; Y48-F76 PolarHBondContact N-O 2.64Å; Y48-F76 PolarHBondContact O-N 3.47Å; Y48-V78 HydrophobicContact CD2-CG2 4.09Å; Y48-V78 HydrophobicContact CE2-CG2 4.05Å
49K90.6Very high71.6Confident96 Ų9668.3 Ų68.342%0.41739%0.386SS..EExtended strand (participates in β ladder)trans-123.9150.1177.2-61.9-177-177.8179.10109.4Y27 V28 A75Y27-K49 CarbonylContact C-O 3.56Å; Y27-K49 WeakPolarHBondContact CA-O 3.35Å; V28-K49 WeakPolarHBondContact CG2-O 3.45Å; V28-K49 PolarHBondContact N-O 2.98Å; V28-K49 PolarHBondContact O-N 2.73Å; K49-A75 HydrophobicContact CG-CB 4.18Å
50C87.7Confident69.6Low1 Ų165.6 Ų65.61%0.00739%0.386CS..EExtended strand (participates in β ladder)trans-57.8144.2174.1-175.80000110.7Y52 S53 C72 A74 H96C50-Y52 PolarHBondContact O-N 2.75Å; C50-Y52 VanDerWaalsContact O-N 3.08Å; C50-S53 PolarHBondContact N-OG 2.87Å; C50-S53 VanDerWaalsContact O-CB 3.23Å; C50-S53 WeakPolarHBondContact O-CB 3.26Å; C50-S53 PolarHBondContact O-N 3.42Å; C50-S53 PolarHBondContact O-OG 3.47Å; C50-C72 HydrophobicContact CB-CB 4.1Å; C50-A74 HydrophobicContact CB-CB 4.26Å; C50-A74 PolarHBondContact N-O 2.8Å; C50-H96 PolarHBondContact SG-NE2 3.16Å
51S83.2Confident67.1Low45 Ų4571.1 Ų71.132%0.31541%0.408SS..G310 helixtrans-56.8-22174.548.50000114.1T26 S53T26-S51 WeakPolarHBondContact O-CB 3.4Å; T26-S51 PolarHBondContact O-N 3.5Å; T26-S51 PolarHBondContact O-OG 2.97Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact O-N 2.83Å
52Y77.9Confident64.6Low59 Ų5974.7 Ų74.723%0.23142%0.422CS..G310 helixtrans-86.811.9174.7-66.6-82.5000114.6C50 G71 C72 H96 S100C50-Y52 PolarHBondContact O-N 2.75Å; C50-Y52 VanDerWaalsContact O-N 3.08Å; Y52-G71 PolarHBondContact O-N 3.22Å; Y52-C72 PolarHBondContact O-N 3.26Å; Y52-H96 AromaticContact CD2-CD2 3.89Å; Y52-H96 AromaticContact CD2-CE1 3.63Å; Y52-H96 AromaticContact CD2-CG 3.94Å; Y52-H96 AromaticContact CD2-ND1 3.77Å; Y52-H96 AromaticContact CD2-NE2 3.73Å; Y52-H96 AromaticContact CE2-ND1 3.95Å; Y52-S100 WeakPolarHBondContact CE2-OG 3.33Å; Y52-S100 PolarHBondContact OH-O 2.87Å; Y52-S100 PolarHBondContact OH-OG 3.33Å
53S73.6Confident61.8Low31 Ų3179.7 Ų79.722%0.21745%0.453CS..G310 helixtrans-78.9-15.5-176.5-47.80000114.3C50 S51 C72C50-S53 PolarHBondContact N-OG 2.87Å; C50-S53 VanDerWaalsContact O-CB 3.23Å; C50-S53 WeakPolarHBondContact O-CB 3.26Å; C50-S53 PolarHBondContact O-N 3.42Å; C50-S53 PolarHBondContact O-OG 3.47Å; S51-S53 VanDerWaalsContact C-N 3.31Å; S51-S53 PolarHBondContact O-N 2.83Å; S53-C72 WeakPolarHBondContact CA-O 3.48Å; S53-C72 WeakPolarHBondContact CB-O 3.15Å; S53-C72 PolarHBondContact OG-O 3.09Å; S53-C72 VanDerWaalsContact OG-O 3.11Å
54T55.8Low59Low122 Ų12283.9 Ų83.975%0.74848%0.478SS*.  trans-116.9111.1-175.651.10000111
55G46.7Very low56.2Low40 Ų4085.8 Ų85.841%0.41250%0.497SS..  trans-75.1158.9163.100000111.1S57G55-S57 PolarHBondContact O-N 3.22Å; G55-S57 VanDerWaalsContact O-N 3.15Å
56P37.1Very low53.2Low105 Ų10587.4 Ų87.468%0.68251%0.51SS*.  trans-70.7109.417423.1-19.3000109.2N58P56-N58 PolarHBondContact O-N 2.9Å
57S29.9Very low50.5Low105 Ų10591.3 Ų91.373%0.73455%0.551SS**SBendtrans-68.9122168.952.60000109.4G55G55-S57 PolarHBondContact O-N 3.22Å; G55-S57 VanDerWaalsContact O-N 3.15Å
58N28Very low48.1Very low152 Ų15294.6 Ų94.681%0.81357%0.571SS**  trans101.273171.5-54.7-20.3000116.6P56P56-N58 PolarHBondContact O-N 2.9Å
59S27.7Very low45.9Very low108 Ų10898.4 Ų98.476%0.75559%0.592SS**  trans-154114.8145.7-46.40000109.4
60P29.9Very low44.1Very low120 Ų12099.5 Ų99.578%0.77960%0.599SS**  trans-80.6137.4169.731.8-27.6000109.1
61N27.3Very low43.4Very low151 Ų151101.1 Ų101.181%0.80762%0.616SS**  trans69.4107.8174.6-62.3-26.6000116.4
62I29.7Very low43.3Very low156 Ų15699.1 Ų99.180%0.860%0.602SS**  -165.2129.7117.6-87.8143.9000107.3N64I62-N64 PolarHBondContact O-N 2.87Å
63N27.4Very low43.8Very low158 Ų158100.8 Ų100.885%0.84562%0.618SS**  trans-46.4104.6176-64.5-35000111.5
64N30.8Very low44.3Very low125 Ų12599.3 Ų99.367%0.66861%0.608SS**  trans-104.891.5-178.2-128.7-4.1000110.8I62 N66I62-N64 PolarHBondContact O-N 2.87Å; N64-N66 PolarHBondContact O-N 2.94Å; N64-N66 VanDerWaalsContact O-N 3.13Å
65T28.8Very low46Very low129 Ų12994.2 Ų94.279%0.79158%0.578SS**  trans-78.464.2164.638.10000109.7
66N31.6Very low48Very low97 Ų9792.7 Ų92.752%0.51956%0.56SS.*SBendtrans-154.9114.8169.6-77.9-53.6000109.4N64 V68N64-N66 PolarHBondContact O-N 2.94Å; N64-N66 VanDerWaalsContact O-N 3.13Å; N66-V68 VanDerWaalsContact C-N 3.27Å; N66-V68 PolarHBondContact O-N 2.77Å
67G35.2Very low50.5Low83 Ų8389.5 Ų89.586%0.85654%0.536SS*.  trans-67.970.5-175.300000114.9
68V40.2Very low53.4Low92 Ų9284.5 Ų84.556%0.55850%0.501SS*.  trans-92.1103.4155.3-175.70000105.1N66 E70N66-V68 VanDerWaalsContact C-N 3.27Å; N66-V68 PolarHBondContact O-N 2.77Å; V68-E70 HydrophobicContact CB-CG 4.42Å; V68-E70 HydrophobicContact CG1-CG 3.89Å; V68-E70 PolarHBondContact O-N 3.42Å
69N44.2Very low56.3Low91 Ų9182.3 Ų82.349%0.48748%0.482SS..  trans-72.480.5175.1-72.4-17000108.6G71 N95N69-G71 PolarHBondContact O-N 3.25Å; N69-N95 PolarHBondContact ND2-O 3.25Å
70E53.3Low59.2Low120 Ų12079.1 Ų79.156%0.56145%0.453SS*.  trans-63.8125171.1-63.7179.717600108.6V68V68-E70 HydrophobicContact CB-CG 4.42Å; V68-E70 HydrophobicContact CG1-CG 3.89Å; V68-E70 PolarHBondContact O-N 3.42Å
71G72.9Confident61.7Low34 Ų3476.3 Ų76.335%0.35143%0.433SS..  trans109.644.5179.500000115.4Y52 N69 T73Y52-G71 PolarHBondContact O-N 3.22Å; N69-G71 PolarHBondContact O-N 3.25Å; G71-T73 PolarHBondContact O-N 3.09Å
72C81.9Confident64.4Low4 Ų476.3 Ų76.33%0.02743%0.433CS..  trans-62.8129.3171.3-170.50000111.1C50 Y52 S53 N95 H96C50-C72 HydrophobicContact CB-CB 4.1Å; Y52-C72 PolarHBondContact O-N 3.26Å; S53-C72 WeakPolarHBondContact CA-O 3.48Å; S53-C72 WeakPolarHBondContact CB-O 3.15Å; S53-C72 PolarHBondContact OG-O 3.09Å; S53-C72 VanDerWaalsContact OG-O 3.11Å; C72-N95 WeakPolarHBondContact CA-OD1 3.41Å; C72-N95 WeakPolarHBondContact CB-OD1 3.4Å; C72-N95 PolarHBondContact SG-OD1 3.01Å; C72-H96 VanDerWaalsContact SG-CD2 3.55Å; C72-H96 PolarHBondContact SG-NE2 3.24Å
73T87.4Confident66.9Low94 Ų9474.5 Ų74.558%0.57743%0.426SS*.  trans-96.4-1.2179.157.70000113.3G71 A75 N91G71-T73 PolarHBondContact O-N 3.09Å; T73-A75 PolarHBondContact O-N 3.33Å; T73-N91 PolarHBondContact OG1-ND2 2.92Å
74A85Confident69.6Low0 Ų068 Ų680%039%0.392CS..  trans-60.8121.2178.600000111C50 N91 H94C50-A74 HydrophobicContact CB-CB 4.26Å; C50-A74 PolarHBondContact N-O 2.8Å; A74-N91 WeakPolarHBondContact CA-O 3.4Å; A74-H94 WeakPolarHBondContact CB-CE1 3.15Å; A74-H94 WeakPolarHBondContact CB-NE2 3.37Å
75A90.2Very high72.1Confident15 Ų1562.4 Ų62.412%0.12436%0.362CS..EExtended strand (participates in β ladder)trans-156.6153.4-174.300000110.7Y48 K49 T73 V90 N91Y48-A75 CarbonylContact O-C 3.44Å; Y48-A75 WeakPolarHBondContact O-CA 3.32Å; Y48-A75 VanDerWaalsContact O-CB 3.29Å; Y48-A75 WeakPolarHBondContact O-CB 3.35Å; K49-A75 HydrophobicContact CG-CB 4.18Å; T73-A75 PolarHBondContact O-N 3.33Å; A75-V90 HydrophobicContact CB-CB 4.28Å; A75-V90 WeakPolarHBondContact O-CA 3.42Å; A75-V90 WeakPolarHBondContact O-CB 3.34Å; A75-V90 PolarHBondContact O-N 3.39Å; A75-N91 PolarHBondContact N-O 3.07Å; A75-N91 PolarHBondContact O-N 2.95Å; A75-N91 VanDerWaalsContact O-O 3.08Å
76F88.8Confident74.5Confident8 Ų859.1 Ų59.14%0.03534%0.341CS..EExtended strand (participates in β ladder)trans-144.2159.1172.566.9-95000110.4F12 L16 Y27 Y48 V78 V87 T88 F89F12-F76 HydrophobicContact CE2-CE2 4.31Å; F12-F76 AromaticContact CZ-CE2 3.91Å; F12-F76 HydrophobicContact CZ-CE2 3.91Å; F12-F76 HydrophobicContact CZ-CZ 4.39Å; L16-F76 HydrophobicContact CD1-CE1 4.26Å; L16-F76 HydrophobicContact CD1-CZ 3.67Å; L16-F76 HydrophobicContact CD2-CZ 4.41Å; Y27-F76 AromaticContact CD1-CD1 3.89Å; Y27-F76 HydrophobicContact CD1-CD1 3.89Å; Y27-F76 AromaticContact CD1-CE1 3.56Å; Y27-F76 HydrophobicContact CD1-CE1 3.56Å; Y27-F76 AromaticContact CD2-CE1 3.78Å; Y27-F76 HydrophobicContact CD2-CE1 3.78Å; Y27-F76 AromaticContact CE1-CD1 3.8Å; Y27-F76 HydrophobicContact CE1-CD1 3.8Å; Y27-F76 AromaticContact CE1-CE1 3.86Å; Y27-F76 HydrophobicContact CE1-CE1 3.86Å; Y27-F76 HydrophobicContact CE2-CD1 4.5Å; Y27-F76 HydrophobicContact CE2-CE1 4.02Å; Y27-F76 HydrophobicContact CG-CD1 4.3Å; Y27-F76 AromaticContact CG-CE1 3.52Å; Y27-F76 HydrophobicContact CG-CE1 3.52Å; Y27-F76 HydrophobicContact CG-CZ 4.38Å; Y48-F76 HydrophobicContact CD1-CZ 4.14Å; Y48-F76 HydrophobicContact CD2-CD2 4.22Å; Y48-F76 AromaticContact CD2-CE2 3.43Å; Y48-F76 HydrophobicContact CD2-CE2 3.43Å; Y48-F76 VanDerWaalsContact CD2-CE2 3.43Å; Y48-F76 AromaticContact CD2-CZ 3.79Å; Y48-F76 HydrophobicContact CD2-CZ 3.79Å; Y48-F76 HydrophobicContact CE2-CE2 4.27Å; Y48-F76 HydrophobicContact CG-CD2 4.46Å; Y48-F76 HydrophobicContact CG-CE1 4.24Å; Y48-F76 AromaticContact CG-CE2 3.65Å; Y48-F76 HydrophobicContact CG-CE2 3.65Å; Y48-F76 AromaticContact CG-CZ 3.5Å; Y48-F76 HydrophobicContact CG-CZ 3.5Å; Y48-F76 VanDerWaalsContact CG-CZ 3.5Å; Y48-F76 PolarHBondContact N-O 2.64Å; Y48-F76 PolarHBondContact O-N 3.47Å; F76-V78 HydrophobicContact CD2-CG2 4.07Å; F76-V78 HydrophobicContact CE2-CG2 3.79Å; F76-V87 HydrophobicContact CB-CG1 4.37Å; F76-V87 HydrophobicContact CD2-CG1 3.69Å; F76-V87 HydrophobicContact CE2-CG1 4.32Å; F76-V87 HydrophobicContact CG-CG1 4.23Å; F76-T88 CarbonylContact C-O 3.53Å; F76-T88 WeakPolarHBondContact CA-O 3.22Å; F76-T88 WeakPolarHBondContact CB-O 3.5Å; F76-F89 HydrophobicContact CB-CB 4.47Å; F76-F89 HydrophobicContact CB-CD1 3.67Å; F76-F89 HydrophobicContact CB-CE1 4.11Å; F76-F89 HydrophobicContact CB-CG 4.15Å; F76-F89 HydrophobicContact CD1-CD1 4.47Å; F76-F89 HydrophobicContact CD1-CE1 4.22Å; F76-F89 HydrophobicContact CG-CD1 4.37Å; F76-F89 HydrophobicContact CG-CE1 4.34Å
77Q91Very high76.9Confident38 Ų3856.6 Ų56.618%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-117.6140.9177.8-178.5172.38300109.7V46 N47 R79 V87 T88V46-Q77 CarbonylContact O-C 3.59Å; V46-Q77 WeakPolarHBondContact O-CA 3.13Å; N47-Q77 WeakPolarHBondContact OD1-CB 3.14Å; N47-Q77 VanDerWaalsContact OD1-CD 3.31Å; N47-Q77 WeakPolarHBondContact OD1-CG 3.44Å; N47-Q77 PolarHBondContact OD1-NE2 2.84Å; Q77-R79 HydrophobicContact CG-CG 4.07Å; Q77-V87 CarbonylContact O-C 3.55Å; Q77-V87 WeakPolarHBondContact O-CA 3.29Å; Q77-T88 PolarHBondContact N-O 3.4Å; Q77-T88 PolarHBondContact O-N 2.88Å
78V90.2Very high79Confident0 Ų055.4 Ų55.40%031%0.306CS..EExtended strand (participates in β ladder)trans-110.2124171.4-172.10000107.2W9 F12 Y45 V46 Y48 F76 Y85 V86 V87W9-V78 HydrophobicContact CH2-CB 4.42Å; W9-V78 HydrophobicContact CH2-CG1 4.44Å; W9-V78 HydrophobicContact CZ3-CB 4.19Å; W9-V78 HydrophobicContact CZ3-CG1 3.79Å; F12-V78 HydrophobicContact CD1-CG2 4.46Å; F12-V78 HydrophobicContact CD2-CG1 4.21Å; F12-V78 HydrophobicContact CD2-CG2 4.15Å; F12-V78 HydrophobicContact CE1-CG2 3.83Å; F12-V78 HydrophobicContact CE2-CG1 4.34Å; F12-V78 HydrophobicContact CE2-CG2 3.46Å; F12-V78 VanDerWaalsContact CE2-CG2 3.46Å; F12-V78 HydrophobicContact CG-CG1 4.34Å; F12-V78 HydrophobicContact CZ-CB 4.5Å; F12-V78 HydrophobicContact CZ-CG2 3.3Å; Y45-V78 CarbonylContact C-O 3.58Å; Y45-V78 WeakPolarHBondContact CA-O 3.26Å; V46-V78 PolarHBondContact N-O 3.32Å; V46-V78 PolarHBondContact O-N 3.27Å; Y48-V78 HydrophobicContact CD2-CG2 4.09Å; Y48-V78 HydrophobicContact CE2-CG2 4.05Å; F76-V78 HydrophobicContact CD2-CG2 4.07Å; F76-V78 HydrophobicContact CE2-CG2 3.79Å; V78-Y85 HydrophobicContact CG1-CD1 3.88Å; V78-Y85 HydrophobicContact CG1-CG 4.28Å; V78-V86 CarbonylContact C-O 3.58Å; V78-V86 WeakPolarHBondContact CA-O 3.26Å; V78-V87 HydrophobicContact CG2-CG2 4.36Å
79R89.7Confident80.8Confident106 Ų10654.8 Ų54.840%0.430%0.295SS..EExtended strand (participates in β ladder)trans-124.8147-178.9-90.3-175.9-67.7174.2-4.3111.7K44 Q77 V81 Y85 V86K44-R79 WeakPolarHBondContact O-CA 3.12Å; Q77-R79 HydrophobicContact CG-CG 4.07Å; R79-V81 HydrophobicContact CB-CG2 4.11Å; R79-Y85 CarbonylContact O-C 3.59Å; R79-Y85 WeakPolarHBondContact O-CA 3.17Å; R79-V86 PolarHBondContact N-O 3.4Å; R79-V86 PolarHBondContact O-N 3.16Å
80W87.9Confident82.5Confident41 Ų4155.7 Ų55.716%0.15530%0.304CS..EExtended strand (participates in β ladder)trans-82.6115.6168.3-174.3-99.6000109.8M35 R42 K44 N83 C84 Y85M35-W80 HydrophobicContact CE-CB 3.59Å; M35-W80 HydrophobicContact CE-CG 3.77Å; R42-W80 VanDerWaalsContact NH1-CZ3 3.27Å; K44-W80 PolarHBondContact O-N 3.13Å; W80-N83 WeakPolarHBondContact CH2-O 3.35Å; W80-N83 VanDerWaalsContact CZ2-C 3.41Å; W80-N83 HydrophobicContact CZ2-CB 4.25Å; W80-C84 WeakPolarHBondContact CA-O 3.15Å; W80-Y85 HydrophobicContact CB-CD1 4.45Å; W80-Y85 HydrophobicContact CB-CE1 4.15Å; W80-Y85 AromaticContact CE3-CD1 3.94Å; W80-Y85 HydrophobicContact CE3-CD1 3.94Å; W80-Y85 AromaticContact CE3-CD2 3.77Å; W80-Y85 HydrophobicContact CE3-CD2 3.77Å; W80-Y85 AromaticContact CE3-CE1 3.79Å; W80-Y85 HydrophobicContact CE3-CE1 3.79Å; W80-Y85 AromaticContact CE3-CE2 3.61Å; W80-Y85 HydrophobicContact CE3-CE2 3.61Å; W80-Y85 AromaticContact CE3-CG 3.92Å; W80-Y85 HydrophobicContact CE3-CG 3.92Å; W80-Y85 AromaticContact CE3-CZ 3.61Å; W80-Y85 AromaticContact CZ3-CD2 3.77Å; W80-Y85 HydrophobicContact CZ3-CD2 3.77Å; W80-Y85 AromaticContact CZ3-CE2 3.7Å; W80-Y85 HydrophobicContact CZ3-CE2 3.7Å; W80-Y85 HydrophobicContact CZ3-CG 4.3Å
81V83.2Confident83.8Confident60 Ų6052.4 Ų52.436%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-139.7132.1-179.8-174.30000108R79 N83 C84 V86R79-V81 HydrophobicContact CB-CG2 4.11Å; V81-N83 VanDerWaalsContact C-N 3.34Å; V81-N83 PolarHBondContact O-N 3.17Å; V81-C84 PolarHBondContact N-O 2.99Å; V81-C84 PolarHBondContact O-N 2.95Å; V81-C84 PolarHBondContact O-SG 3.19Å; V81-C84 VanDerWaalsContact O-SG 3.37Å; V81-V86 HydrophobicContact CB-CG2 4.14Å
82D82.2Confident84Confident151 Ų15157.1 Ų57.181%0.80730%0.303SS*.THydrogen-bonded Turntrans46.651.5175-57.5-28.7000114.4C84D82-C84 VanDerWaalsContact C-N 3.28Å; D82-C84 PolarHBondContact O-N 2.96Å
83N83.7Confident83.8Confident119 Ų11964.4 Ų64.464%0.63634%0.337SS*.THydrogen-bonded Turntrans63.220.8-180-69.2-36.5000116.3Y7 W80 V81Y7-N83 WeakPolarHBondContact CD1-O 3.47Å; W80-N83 WeakPolarHBondContact CH2-O 3.35Å; W80-N83 VanDerWaalsContact CZ2-C 3.41Å; W80-N83 HydrophobicContact CZ2-CB 4.25Å; V81-N83 VanDerWaalsContact C-N 3.34Å; V81-N83 PolarHBondContact O-N 3.17Å
84C83.7Confident83.5Confident21 Ų2162.4 Ų62.414%0.14232%0.321CS..EExtended strand (participates in β ladder)trans-144.7164.7171.369.40000113P5 Y7 W80 V81 D82P5-C84 HydrophobicContact CB-CB 3.83Å; Y7-C84 HydrophobicContact CD1-CB 4.34Å; Y7-C84 HydrophobicContact CE1-CB 4.49Å; W80-C84 WeakPolarHBondContact CA-O 3.15Å; V81-C84 PolarHBondContact N-O 2.99Å; V81-C84 PolarHBondContact O-N 2.95Å; V81-C84 PolarHBondContact O-SG 3.19Å; V81-C84 VanDerWaalsContact O-SG 3.37Å; D82-C84 VanDerWaalsContact C-N 3.28Å; D82-C84 PolarHBondContact O-N 2.96Å
85Y83Confident83.2Confident8 Ų865.6 Ų65.63%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-85.7125170.3-74.5-68.7000110.8L6 W9 Y43 V78 R79 W80L6-Y85 PolarHBondContact O-N 3.29Å; W9-Y85 HydrophobicContact CB-CE2 4.02Å; W9-Y85 HydrophobicContact CE3-CD1 4.1Å; W9-Y85 HydrophobicContact CE3-CD2 4.33Å; W9-Y85 AromaticContact CE3-CE1 3.77Å; W9-Y85 HydrophobicContact CE3-CE1 3.77Å; W9-Y85 HydrophobicContact CE3-CE2 4.01Å; W9-Y85 HydrophobicContact CE3-CG 4.38Å; W9-Y85 AromaticContact CE3-CZ 3.73Å; W9-Y85 HydrophobicContact CZ3-CD1 4.21Å; W9-Y85 HydrophobicContact CZ3-CE1 4.09Å; Y43-Y85 PolarHBondContact N-OH 3.07Å; Y43-Y85 VanDerWaalsContact O-CE1 3.28Å; Y43-Y85 WeakPolarHBondContact O-CE1 3.08Å; Y43-Y85 PolarHBondContact O-OH 2.74Å; V78-Y85 HydrophobicContact CG1-CD1 3.88Å; V78-Y85 HydrophobicContact CG1-CG 4.28Å; R79-Y85 CarbonylContact O-C 3.59Å; R79-Y85 WeakPolarHBondContact O-CA 3.17Å; W80-Y85 HydrophobicContact CB-CD1 4.45Å; W80-Y85 HydrophobicContact CB-CE1 4.15Å; W80-Y85 AromaticContact CE3-CD1 3.94Å; W80-Y85 HydrophobicContact CE3-CD1 3.94Å; W80-Y85 AromaticContact CE3-CD2 3.77Å; W80-Y85 HydrophobicContact CE3-CD2 3.77Å; W80-Y85 AromaticContact CE3-CE1 3.79Å; W80-Y85 HydrophobicContact CE3-CE1 3.79Å; W80-Y85 AromaticContact CE3-CE2 3.61Å; W80-Y85 HydrophobicContact CE3-CE2 3.61Å; W80-Y85 AromaticContact CE3-CG 3.92Å; W80-Y85 HydrophobicContact CE3-CG 3.92Å; W80-Y85 AromaticContact CE3-CZ 3.61Å; W80-Y85 AromaticContact CZ3-CD2 3.77Å; W80-Y85 HydrophobicContact CZ3-CD2 3.77Å; W80-Y85 AromaticContact CZ3-CE2 3.7Å; W80-Y85 HydrophobicContact CZ3-CE2 3.7Å; W80-Y85 HydrophobicContact CZ3-CG 4.3Å
86V78.5Confident82.4Confident60 Ų6066.2 Ų66.236%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-114134.2178.1-177.70000109.3V78 R79 V81V78-V86 CarbonylContact C-O 3.58Å; V78-V86 WeakPolarHBondContact CA-O 3.26Å; R79-V86 PolarHBondContact N-O 3.4Å; R79-V86 PolarHBondContact O-N 3.16Å; V81-V86 HydrophobicContact CB-CG2 4.14Å
87V82.7Confident80.9Confident44 Ų4469 Ų6927%0.26736%0.358SS..EExtended strand (participates in β ladder)trans-97.6125.6176.9-174.10000109.5F12 F76 Q77 V78 F89F12-V87 HydrophobicContact CD2-CG2 4.2Å; F12-V87 HydrophobicContact CE2-CG2 3.96Å; F76-V87 HydrophobicContact CB-CG1 4.37Å; F76-V87 HydrophobicContact CD2-CG1 3.69Å; F76-V87 HydrophobicContact CE2-CG1 4.32Å; F76-V87 HydrophobicContact CG-CG1 4.23Å; Q77-V87 CarbonylContact O-C 3.55Å; Q77-V87 WeakPolarHBondContact O-CA 3.29Å; V78-V87 HydrophobicContact CG2-CG2 4.36Å; V87-F89 HydrophobicContact CG1-CE2 4.28Å; V87-F89 HydrophobicContact CG1-CZ 4.45Å
88T78.8Confident79.1Confident58 Ų5870.7 Ų70.736%0.35637%0.373SS..EExtended strand (participates in β ladder)trans-119.8120.2175.3-41.10000109.2F76 Q77F76-T88 CarbonylContact C-O 3.53Å; F76-T88 WeakPolarHBondContact CA-O 3.22Å; F76-T88 WeakPolarHBondContact CB-O 3.5Å; Q77-T88 PolarHBondContact N-O 3.4Å; Q77-T88 PolarHBondContact O-N 2.88Å
89F78.7Confident76.9Confident78 Ų7875 Ų7534%0.34240%0.403SS..EExtended strand (participates in β ladder)trans-78.2129.6176.3-68.9-88.8000110.5F76 V87 Q92F76-F89 HydrophobicContact CB-CB 4.47Å; F76-F89 HydrophobicContact CB-CD1 3.67Å; F76-F89 HydrophobicContact CB-CE1 4.11Å; F76-F89 HydrophobicContact CB-CG 4.15Å; F76-F89 HydrophobicContact CD1-CD1 4.47Å; F76-F89 HydrophobicContact CD1-CE1 4.22Å; F76-F89 HydrophobicContact CG-CD1 4.37Å; F76-F89 HydrophobicContact CG-CE1 4.34Å; V87-F89 HydrophobicContact CG1-CE2 4.28Å; V87-F89 HydrophobicContact CG1-CZ 4.45Å; F89-Q92 HydrophobicContact CB-CG 3.53Å; F89-Q92 HydrophobicContact CD1-CG 3.6Å; F89-Q92 HydrophobicContact CD2-CG 4.35Å; F89-Q92 HydrophobicContact CE1-CG 4.39Å; F89-Q92 HydrophobicContact CG-CG 3.56Å
90V80.3Confident74.5Confident111 Ų11172.2 Ų72.267%0.67340%0.4SS*.EExtended strand (participates in β ladder)trans-84-46.2171.9-179.90000109.1A75A75-V90 HydrophobicContact CB-CB 4.28Å; A75-V90 WeakPolarHBondContact O-CA 3.42Å; A75-V90 WeakPolarHBondContact O-CB 3.34Å; A75-V90 PolarHBondContact O-N 3.39Å
91N79.9Confident71.7Confident50 Ų5075.1 Ų75.127%0.26742%0.419SS..EExtended strand (participates in β ladder)trans-148.3134.6169.5-171.31.9000109.5T73 A74 A75 E93T73-N91 PolarHBondContact OG1-ND2 2.92Å; A74-N91 WeakPolarHBondContact CA-O 3.4Å; A75-N91 PolarHBondContact N-O 3.07Å; A75-N91 PolarHBondContact O-N 2.95Å; A75-N91 VanDerWaalsContact O-O 3.08Å; N91-E93 PolarHBondContact OD1-N 2.92Å
92Q78.1Confident69Low134 Ų13476.3 Ų76.363%0.62642%0.423SS*.  trans-100.9-15.1-180-65.2-176.75300112.9F89 H94F89-Q92 HydrophobicContact CB-CG 3.53Å; F89-Q92 HydrophobicContact CD1-CG 3.6Å; F89-Q92 HydrophobicContact CD2-CG 4.35Å; F89-Q92 HydrophobicContact CE1-CG 4.39Å; F89-Q92 HydrophobicContact CG-CG 3.56Å; Q92-H94 PolarHBondContact O-CD2 2.95Å; Q92-H94 VanDerWaalsContact O-CD2 3.28Å
93E76.3Confident66.3Low156 Ų15681 Ų8173%0.72943%0.429SS*.  trans-82.7127.4-173.7-65.9-172.9172.400111.5N91N91-E93 PolarHBondContact OD1-N 2.92Å
94H81.6Confident63.6Low52 Ų5280.5 Ų80.524%0.24143%0.43CS..  trans-100129174.6-69.6-92.3000109.8I25 Y27 A74 Q92 H96I25-H94 WeakPolarHBondContact CG2-CE1 3.46Å; Y27-H94 AromaticContact CZ-CE1 3.87Å; Y27-H94 AromaticContact CZ-NE2 3.82Å; Y27-H94 PolarHBondContact OH-CE1 2.86Å; Y27-H94 PolarHBondContact OH-NE2 3.18Å; A74-H94 WeakPolarHBondContact CB-CE1 3.15Å; A74-H94 WeakPolarHBondContact CB-NE2 3.37Å; Q92-H94 PolarHBondContact O-CD2 2.95Å; Q92-H94 VanDerWaalsContact O-CD2 3.28Å; H94-H96 AromaticContact CG-NE2 3.84Å; H94-H96 AromaticContact ND1-CE1 3.47Å; H94-H96 PolarHBondContact ND1-CE1 3.32Å; H94-H96 AromaticContact ND1-NE2 3.02Å; H94-H96 PolarHBondContact ND1-NE2 2.63Å; H94-H96 PolarHBondContact O-N 3.19Å
95N78.8Confident60.9Low68 Ų6888.4 Ų88.436%0.36446%0.462SS..SBendtrans-87.310.1173.365-15.6000113N69 C72N69-N95 PolarHBondContact ND2-O 3.25Å; C72-N95 WeakPolarHBondContact CA-OD1 3.41Å; C72-N95 WeakPolarHBondContact CB-OD1 3.4Å; C72-N95 PolarHBondContact SG-OD1 3.01Å
96H72.6Confident58.2Low28 Ų2897.9 Ų97.913%0.1350%0.503CS..SBendtrans-129.5154.51786284.5000109.8C50 Y52 C72 H94C50-H96 PolarHBondContact SG-NE2 3.16Å; Y52-H96 AromaticContact CD2-CD2 3.89Å; Y52-H96 AromaticContact CD2-CE1 3.63Å; Y52-H96 AromaticContact CD2-CG 3.94Å; Y52-H96 AromaticContact CD2-ND1 3.77Å; Y52-H96 AromaticContact CD2-NE2 3.73Å; Y52-H96 AromaticContact CE2-ND1 3.95Å; C72-H96 VanDerWaalsContact SG-CD2 3.55Å; C72-H96 PolarHBondContact SG-NE2 3.24Å; H94-H96 AromaticContact CG-NE2 3.84Å; H94-H96 AromaticContact ND1-CE1 3.47Å; H94-H96 PolarHBondContact ND1-CE1 3.32Å; H94-H96 AromaticContact ND1-NE2 3.02Å; H94-H96 PolarHBondContact ND1-NE2 2.63Å; H94-H96 PolarHBondContact O-N 3.19Å
97S57.4Low55.6Low65 Ų6599.2 Ų99.246%0.45552%0.521SS..  trans-71.1145.7173.9-176.30000110S99 S100S97-S99 PolarHBondContact O-N 3.04Å; S97-S99 PolarHBondContact OG-OG 2.91Å; S97-S100 PolarHBondContact O-N 3.48Å; S97-S100 PolarHBondContact O-OG 2.52Å
98P53.4Low53Low74 Ų74102.7 Ų102.748%0.48155%0.545SS..THydrogen-bonded Turntrans-58.1-8.6171.2-23.533000114.7T23 R24T23-P98 WeakPolarHBondContact O-CB 3.5Å; R24-P98 VanDerWaalsContact CB-O 3.28Å; R24-P98 WeakPolarHBondContact CB-O 3.43Å
99S43.8Very low50.6Low91 Ų91109.3 Ų109.364%0.63657%0.571SS**THydrogen-bonded Turntrans-102.54.6-175.865.10000115.1S97 N101S97-S99 PolarHBondContact O-N 3.04Å; S97-S99 PolarHBondContact OG-OG 2.91Å; S99-N101 PolarHBondContact O-N 2.98Å
100S39.3Very low48.1Very low48 Ų48112.7 Ų112.734%0.33659%0.593SS.*  trans-75.520.9-170.156.80000116.2Y52 S97 N102Y52-S100 WeakPolarHBondContact CE2-OG 3.33Å; Y52-S100 PolarHBondContact OH-O 2.87Å; Y52-S100 PolarHBondContact OH-OG 3.33Å; S97-S100 PolarHBondContact O-N 3.48Å; S97-S100 PolarHBondContact O-OG 2.52Å; S100-N102 PolarHBondContact O-N 3.26Å
101N29.1Very low45.6Very low102 Ų102116 Ų11655%0.54560%0.599SS.*SBendtrans-86.360.9159.7-89.6-16000109.8S99S99-N101 PolarHBondContact O-N 2.98Å
102N28Very low42.9Very low84 Ų84126 Ų12645%0.44963%0.632SS.*SBendtrans175135144.4-88.1-22.5000112.1S100 V104S100-N102 PolarHBondContact O-N 3.26Å; N102-V104 PolarHBondContact O-N 2.8Å
103R25.3Very low40.6Very low250 Ų250127.8 Ų127.894%0.94364%0.641SS**  trans-55.197167.7-72.8171.9169174.3-3.8110.9
104V26.8Very low38Very low109 Ų109128.3 Ų128.366%0.66164%0.643SS**  trans-141121.9153.8-176.80000108.9N102 K106N102-V104 PolarHBondContact O-N 2.8Å; V104-K106 PolarHBondContact O-N 3.01Å
105K25.7Very low35.4Very low186 Ų186134 Ų13481%0.80967%0.673SS**PPolyproline II helixtrans-55.1124.8-179-65.3170.5174.7178.10111
106K27.5Very low32.8Very low207 Ų207137.5 Ų137.590%0.969%0.692SS**PPolyproline II helixtrans-88.3127.4156.9-91.9-173.5173.7-1750108.9V104V104-K106 PolarHBondContact O-N 3.01Å
107A23.9Very low30.5Very low88 Ų88140.8 Ų140.873%0.72772%0.724SS**PPolyproline II helixtrans-61.7152.8169.700000110.7E109A107-E109 PolarHBondContact O-N 3.05Å
108P28.3Very low28.9Very low118 Ų118142.7 Ų142.777%0.76674%0.737SS**PPolyproline II helixtrans-80.5122.5-171.725.3-19.9000111.5N110P108-N110 PolarHBondContact O-N 2.89Å
109E27.6Very low27.7Very low197 Ų197145.9 Ų145.992%0.92175%0.75SS**  trans-71.5102.7165.5-85178.1157.700109.5A107A107-E109 PolarHBondContact O-N 3.05Å
110N26Very low26.8Very low149 Ų149150.6 Ų150.680%0.79776%0.759SS**  trans-99.1134.7159.8-93.3-32.1000109.4P108P108-N110 PolarHBondContact O-N 2.89Å
111K28.1Very low26.1Very low181 Ų181157.4 Ų157.479%0.78778%0.783SS**  trans85.382.7168.8-58.2-176.9179-179.60117Q113K111-Q113 PolarHBondContact O-N 3.3Å
112R22.7Very low25.8Very low259 Ų259158.5 Ų158.598%0.97779%0.794SS**  trans-65.8110.4136.9-73.6178.9177.3174-1.4107.9
113Q29.7Very low25.7Very low172 Ų172162.1 Ų162.180%0.80481%0.813SS**  trans-114.9131.2153.6-89.7-178.1-18.900108.1K111K111-Q113 PolarHBondContact O-N 3.3Å
114H23.6Very low25.9Very low166 Ų166156.7 Ų156.777%0.76981%0.81SS**  trans-36.6147.7168.5-79.9-104.9000113.7
115I26.1Very low25.7Very low172 Ų172154.7 Ų154.788%0.88281%0.811SS**  -161.5135119.3-89.3144.2000109.1
116D24.4Very low25.6Very low142 Ų142153.3 Ų153.376%0.75981%0.813SS**  trans-67.1167.1-176.8-79.3-56.9000116
117A24Very low25.4Very low97 Ų97151.2 Ų151.280%0.80281%0.811SS**  trans-55.7141.4170.300000114.4
118S23.7Very low25.5Very low105 Ų105156.3 Ų156.373%0.73482%0.82SS**  162.7153.7114.4-162.60000112.2
119N29.2Very low25.3Very low141 Ų141155 Ų15575%0.75481%0.813SS**  trans89.289.7163.5-65.6-29.6000121.4
120K23.7Very low25Very low189 Ų189155.9 Ų155.982%0.82282%0.815SS**  46.7129.9111.8-88.5179.7178.3172.40121.1
121K24.5Very low24.9Very low192 Ų192152.7 Ų152.784%0.83580%0.804SS**  trans79.1121.7157.6-63.9177.5178.9-176.90113.5
122T23.7Very low24.7Very low125 Ų125152.7 Ų152.777%0.76781%0.807SS**  cis-169.8132.828.53.50000107.5
123N25.4Very low24.7Very low159 Ų159145.9 Ų145.985%0.8580%0.796SS**  trans179.8154.4142.3-93.9-11.4000108.6
124P28.3Very low24.6Very low137 Ų137144.6 Ų144.689%0.8979%0.793SS**  -139.4140.9118.535.4-22.3000112
125G23.1Very low24.7Very low66 Ų66141.9 Ų141.968%0.6879%0.788SS**  trans151.938.3164.800000115.1
126N23.5Very low24.9Very low158 Ų158137.9 Ų137.985%0.84577%0.768SS**SBendtrans-141.1130.4156.6-93.9-24.3000109.9E128N126-E128 PolarHBondContact O-N 3Å
127N23.7Very low25.2Very low163 Ų163134.4 Ų134.487%0.87275%0.754SS**  trans-54.5116.1-175.9-67.3-47.2000111S129N127-S129 PolarHBondContact O-N 2.69Å
128E25.3Very low25.9Very low194 Ų194131.8 Ų131.891%0.90773%0.73SS**  trans-68.7103.4167.1-77.6-174165.900109.3N126N126-E128 PolarHBondContact O-N 3Å
129S23.7Very low26.7Very low90 Ų90127.4 Ų127.463%0.62970%0.699SS**  trans-53.8127.8161.649.10000111N127 S131N127-S129 PolarHBondContact O-N 2.69Å; S129-S131 VanDerWaalsContact C-N 3.27Å; S129-S131 PolarHBondContact O-N 3.03Å
130F22.9Very low27.2Very low217 Ų217128 Ų12895%0.95269%0.69SS**  trans-65.591.4156.2-84.7-92.3000108.3
131S23.1Very low27.9Very low81 Ų81122.9 Ų122.957%0.56667%0.672SS**  trans-109.688.8174.656.10000110.2S129S129-S131 VanDerWaalsContact C-N 3.27Å; S129-S131 PolarHBondContact O-N 3.03Å
132H24Very low28.6Very low182 Ų182118.2 Ų118.284%0.84365%0.653SS**  trans-128.4102.8145.2-84.4-58.3000107.7I134H132-I134 PolarHBondContact O-N 3.43Å; H132-I134 VanDerWaalsContact O-N 3.1Å
133P24Very low29.4Very low116 Ų116114.1 Ų114.175%0.75363%0.626SS**  trans-73.6103.9170.729.4-27.5000107.2V135P133-V135 PolarHBondContact O-N 2.71Å
134I26.2Very low30Very low144 Ų144109.2 Ų109.274%0.73861%0.608SS**  trans-62.7119.4158-64.8174.4000105.5H132 L136H132-I134 PolarHBondContact O-N 3.43Å; H132-I134 VanDerWaalsContact O-N 3.1Å; I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3.4Å
135V26.5Very low30.5Very low110 Ų110110.4 Ų110.467%0.66760%0.601SS**  trans-63.494.2179.1177.60000108.5P133 S137P133-V135 PolarHBondContact O-N 2.71Å; V135-S137 PolarHBondContact O-N 2.88Å
136L30.7Very low31.1Very low87 Ų87108.6 Ų108.646%0.45558%0.578SS.*  trans-74.550.2176.1-85.8156.4000111.7I134 S138I134-L136 VanDerWaalsContact C-N 3.34Å; I134-L136 PolarHBondContact O-N 3.4Å; L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.32Å; L136-S138 VanDerWaalsContact O-N 3.14Å
137S29Very low32.1Very low69 Ų69105.8 Ų105.848%0.48357%0.571SS.*THydrogen-bonded Turntrans-87.549-175.765.20000113.6V135V135-S137 PolarHBondContact O-N 2.88Å
138S40.2Very low33.1Very low42 Ų42105 Ų10529%0.29456%0.562SS.*THydrogen-bonded Turntrans-137.5-18174.2-174.70000116L136 K205L136-S138 VanDerWaalsContact C-N 3.3Å; L136-S138 PolarHBondContact O-N 3.32Å; L136-S138 VanDerWaalsContact O-N 3.14Å; S138-K205 VanDerWaalsContact OG-CD 3.29Å; S138-K205 WeakPolarHBondContact OG-CD 3.41Å; S138-K205 WeakPolarHBondContact OG-CE 3.48Å; S138-K205 PolarHBondContact OG-NZ 3.05Å
139I39.2Very low34.9Very low14 Ų1498.5 Ų98.57%0.07254%0.536CS..THydrogen-bonded Turntrans-105-25.1167.9-61.1155.6000110.1D141 Q142 I143 K205 F207 T230I139-D141 PolarHBondContact O-N 3.39Å; I139-Q142 PolarHBondContact O-N 2.87Å; I139-I143 HydrophobicContact CG2-CB 4.44Å; I139-I143 HydrophobicContact CG2-CD1 3.38Å; I139-I143 HydrophobicContact CG2-CG1 3.68Å; I139-I143 PolarHBondContact O-N 3.47Å; I139-I143 VanDerWaalsContact O-N 3.08Å; I139-K205 HydrophobicContact CD1-CB 3.71Å; I139-K205 HydrophobicContact CG1-CB 4.06Å; I139-K205 HydrophobicContact CG1-CG 4.47Å; I139-F207 HydrophobicContact CD1-CD1 4.21Å; I139-F207 HydrophobicContact CD1-CD2 3.73Å; I139-F207 HydrophobicContact CD1-CE1 3.71Å; I139-F207 HydrophobicContact CD1-CE2 3.22Å; I139-F207 HydrophobicContact CD1-CG 4.26Å; I139-F207 HydrophobicContact CD1-CZ 3.2Å; I139-F207 HydrophobicContact CG1-CE2 3.84Å; I139-F207 HydrophobicContact CG1-CZ 3.75Å; I139-F207 HydrophobicContact CG2-CZ 4.21Å; I139-T230 HydrophobicContact CD1-CG2 3.68Å; I139-T230 HydrophobicContact CG2-CG2 4.06Å
140R39.5Very low36.8Very low152 Ų15295.4 Ų95.457%0.57451%0.512SS*.THydrogen-bonded Turntrans-47.7-30.7171-141.7-179.3-149.6174.67112.8A144 Q172R140-A144 WeakPolarHBondContact O-CB 3.42Å; R140-Q172 PolarHBondContact O-NE2 2.76Å; R140-Q172 VanDerWaalsContact O-NE2 3.16Å
141D39.1Very low39.1Very low82 Ų8290.1 Ų90.144%0.43949%0.493SS..THydrogen-bonded Turntrans-98.7-26.6-179.3-56.6-33.7000113.1I139 Q145I139-D141 PolarHBondContact O-N 3.39Å; D141-Q145 WeakPolarHBondContact O-CB 3.41Å; D141-Q145 WeakPolarHBondContact O-CG 3.24Å; D141-Q145 PolarHBondContact O-N 2.88Å
142Q40.2Very low41.3Very low95 Ų9590 Ų9044%0.44448%0.484SS..THydrogen-bonded Turntrans-86.4-38.4-176.3-77.2-171.6-17.900114I139 A144 S146I139-Q142 PolarHBondContact O-N 2.87Å; Q142-A144 VanDerWaalsContact C-N 3.34Å; Q142-S146 PolarHBondContact O-OG 3.29Å
143I39.6Very low43.6Very low39 Ų3981.5 Ų81.520%0.245%0.445CS..THydrogen-bonded Turntrans-73.8-32.1173.9-68.9179.2000110.3I139 V173 V379I139-I143 HydrophobicContact CG2-CB 4.44Å; I139-I143 HydrophobicContact CG2-CD1 3.38Å; I139-I143 HydrophobicContact CG2-CG1 3.68Å; I139-I143 PolarHBondContact O-N 3.47Å; I139-I143 VanDerWaalsContact O-N 3.08Å; I143-V173 HydrophobicContact CD1-CB 4.34Å; I143-V173 WeakPolarHBondContact CD1-O 3.23Å; I143-V173 HydrophobicContact CG2-CB 3.64Å; I143-V173 HydrophobicContact CG2-CG2 4.05Å; I143-V379 HydrophobicContact CD1-CG2 4.04Å; I143-V379 HydrophobicContact CG1-CG2 4.11Å
144A38.1Very low46Very low56 Ų5677.1 Ų77.146%0.46342%0.415SS..THydrogen-bonded Turntrans-78.8-20-179.700000114.4R140 Q142 Q172R140-A144 WeakPolarHBondContact O-CB 3.42Å; Q142-A144 VanDerWaalsContact C-N 3.34Å; A144-Q172 HydrophobicContact CB-CG 4.49Å
145Q38.6Very low48.3Very low161 Ų16173.1 Ų73.175%0.75240%0.4SS*.THydrogen-bonded Turntrans-99.16.5-177.2-73.9-179.33.900115.2D141D141-Q145 WeakPolarHBondContact O-CB 3.41Å; D141-Q145 WeakPolarHBondContact O-CG 3.24Å; D141-Q145 PolarHBondContact O-N 2.88Å
146S36.8Very low50.5Low28 Ų2870 Ų7020%0.19638%0.379CS..  trans-152.997.1173.851.80000113.3Q142 E148 T149Q142-S146 PolarHBondContact O-OG 3.29Å; S146-E148 PolarHBondContact O-N 2.9Å; S146-T149 PolarHBondContact O-N 3.48Å; S146-T149 VanDerWaalsContact O-N 3.09Å; S146-T149 PolarHBondContact O-OG1 3.39Å; S146-T149 VanDerWaalsContact O-OG1 3.09Å; S146-T149 WeakPolarHBondContact OG-CB 3.49Å; S146-T149 WeakPolarHBondContact OG-CG2 3.34Å; S146-T149 PolarHBondContact OG-OG1 2.99Å
147S43.6Very low52.6Low99 Ų9965.9 Ų65.969%0.69236%0.357SS*.Hα-helixtrans-51.8-33.4155.752.40000110.8T149 D151S147-T149 VanDerWaalsContact C-N 3.29Å; S147-T149 PolarHBondContact O-N 2.91Å; S147-D151 PolarHBondContact O-N 3.49Å
148E46Very low54.7Low148 Ų14866.5 Ų66.569%0.69236%0.356SS*.Hα-helixtrans-62-23.2175.3-78.6-173.2153.900115.1S146 Q152S146-E148 PolarHBondContact O-N 2.9Å; E148-Q152 VanDerWaalsContact O-CD 3.27Å; E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-NE2 3.13Å; E148-Q152 VanDerWaalsContact O-NE2 3.13Å
149T62.1Low56.1Low56 Ų5672.3 Ų72.334%0.34437%0.371SS..Hα-helixtrans-89.8-38.2179.158.50000113.2S146 S147 Q152 V153S146-T149 PolarHBondContact O-N 3.48Å; S146-T149 VanDerWaalsContact O-N 3.09Å; S146-T149 PolarHBondContact O-OG1 3.39Å; S146-T149 VanDerWaalsContact O-OG1 3.09Å; S146-T149 WeakPolarHBondContact OG-CB 3.49Å; S146-T149 WeakPolarHBondContact OG-CG2 3.34Å; S146-T149 PolarHBondContact OG-OG1 2.99Å; S147-T149 VanDerWaalsContact C-N 3.29Å; S147-T149 PolarHBondContact O-N 2.91Å; T149-Q152 WeakPolarHBondContact O-CB 3.5Å; T149-Q152 PolarHBondContact O-N 2.8Å; T149-V153 WeakPolarHBondContact O-CG2 3.3Å; T149-V153 PolarHBondContact O-N 3.08Å
150L64.4Low58Low25 Ų2576.2 Ų76.213%0.13139%0.392CS..Hα-helixtrans-64.2-46179-175.665.8000110.6Q152 V153 L154 V173 I176L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 2.92Å; L150-V153 WeakPolarHBondContact O-CB 3.28Å; L150-V153 PolarHBondContact O-N 3.01Å; L150-L154 HydrophobicContact CD1-CD1 4.43Å; L150-L154 HydrophobicContact CD1-CG 4.27Å; L150-L154 HydrophobicContact CD2-CD1 4.39Å; L150-L154 HydrophobicContact CG-CD1 3.92Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 2.87Å; L150-V173 HydrophobicContact CD1-CG2 4.32Å; L150-V173 HydrophobicContact CD2-CG2 3.83Å; L150-I176 HydrophobicContact CD1-CD1 4.26Å
151D69.6Low60.1Low106 Ų10669.3 Ų69.357%0.56737%0.367SS*.Hα-helixtrans-60.4-37.6176.9-71.8-25.5000111.7S147 L154 S155S147-D151 PolarHBondContact O-N 3.49Å; D151-L154 PolarHBondContact O-N 2.86Å; D151-S155 VanDerWaalsContact O-CB 3.26Å; D151-S155 WeakPolarHBondContact O-CB 3.24Å; D151-S155 PolarHBondContact O-N 2.76Å
152Q69.5Low62.2Low78 Ų7869.8 Ų69.836%0.36436%0.363SS..Hα-helixtrans-64.6-43.7172.4-75.5176.134.800112.3E148 T149 L150 S155 I156E148-Q152 VanDerWaalsContact O-CD 3.27Å; E148-Q152 WeakPolarHBondContact O-CG 3.4Å; E148-Q152 PolarHBondContact O-NE2 3.13Å; E148-Q152 VanDerWaalsContact O-NE2 3.13Å; T149-Q152 WeakPolarHBondContact O-CB 3.5Å; T149-Q152 PolarHBondContact O-N 2.8Å; L150-Q152 VanDerWaalsContact C-N 3.26Å; L150-Q152 PolarHBondContact O-N 2.92Å; Q152-S155 PolarHBondContact O-N 2.8Å; Q152-S155 PolarHBondContact O-OG 2.93Å; Q152-I156 WeakPolarHBondContact O-CG1 3.44Å; Q152-I156 PolarHBondContact O-N 2.98Å
153V72.3Confident64.2Low4 Ų467 Ų672%0.02435%0.353CS..Hα-helixtrans-60.2-51.6175.4175.20000109.7T149 L150 S155 I156 I157 K380 M383T149-V153 WeakPolarHBondContact O-CG2 3.3Å; T149-V153 PolarHBondContact O-N 3.08Å; L150-V153 WeakPolarHBondContact O-CB 3.28Å; L150-V153 PolarHBondContact O-N 3.01Å; V153-S155 VanDerWaalsContact C-N 3.28Å; V153-S155 PolarHBondContact O-N 3.36Å; V153-I156 WeakPolarHBondContact O-CB 3.37Å; V153-I156 PolarHBondContact O-N 3Å; V153-I157 HydrophobicContact CG1-CD1 4.03Å; V153-I157 HydrophobicContact CG1-CG1 4.38Å; V153-I157 HydrophobicContact CG1-CG2 4.45Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.16Å; V153-K380 HydrophobicContact CG2-CB 3.72Å; V153-K380 HydrophobicContact CG2-CG 4.1Å; V153-M383 HydrophobicContact CG1-CB 3.69Å; V153-M383 HydrophobicContact CG1-CG 3.88Å
154L75.1Confident66.3Low25 Ų2565.8 Ų65.813%0.13135%0.349CS..Hα-helixtrans-59.1-38.4179.3-65.4178.8000112L150 D151 I156 I157 N158 V163 I165L150-L154 HydrophobicContact CD1-CD1 4.43Å; L150-L154 HydrophobicContact CD1-CG 4.27Å; L150-L154 HydrophobicContact CD2-CD1 4.39Å; L150-L154 HydrophobicContact CG-CD1 3.92Å; L150-L154 HydrophobicContact CG-CG 4.17Å; L150-L154 WeakPolarHBondContact O-CB 3.46Å; L150-L154 VanDerWaalsContact O-CG 3.26Å; L150-L154 WeakPolarHBondContact O-CG 3.35Å; L150-L154 PolarHBondContact O-N 2.87Å; D151-L154 PolarHBondContact O-N 2.86Å; L154-I156 PolarHBondContact O-N 2.97Å; L154-I157 HydrophobicContact CD2-CD1 4.21Å; L154-I157 HydrophobicContact CD2-CG1 4.4Å; L154-I157 PolarHBondContact O-N 3.31Å; L154-N158 WeakPolarHBondContact O-CB 3.33Å; L154-N158 VanDerWaalsContact O-CG 3.22Å; L154-N158 PolarHBondContact O-N 3.03Å; L154-V163 HydrophobicContact CD2-CG1 3.8Å; L154-I165 HydrophobicContact CD1-CD1 3.75Å; L154-I165 HydrophobicContact CD2-CD1 3.6Å; L154-I165 HydrophobicContact CD2-CG1 4.36Å; L154-I165 HydrophobicContact CG-CD1 4.25Å
155S73.8Confident68.4Low60 Ų6065.8 Ų65.842%0.4234%0.341SS..Hα-helixtrans-61.5-29.9176.179.50000113.4D151 Q152 V153 R159D151-S155 VanDerWaalsContact O-CB 3.26Å; D151-S155 WeakPolarHBondContact O-CB 3.24Å; D151-S155 PolarHBondContact O-N 2.76Å; Q152-S155 PolarHBondContact O-N 2.8Å; Q152-S155 PolarHBondContact O-OG 2.93Å; V153-S155 VanDerWaalsContact C-N 3.28Å; V153-S155 PolarHBondContact O-N 3.36Å; S155-R159 PolarHBondContact O-NE 3.46Å
156I72.4Confident70.6Confident44 Ų4461.1 Ų61.123%0.22632%0.319CS..Hα-helixtrans-79.9-51.9176.5-65.1165.2000109.2Q152 V153 L154 Y387Q152-I156 WeakPolarHBondContact O-CG1 3.44Å; Q152-I156 PolarHBondContact O-N 2.98Å; V153-I156 WeakPolarHBondContact O-CB 3.37Å; V153-I156 PolarHBondContact O-N 3Å; L154-I156 PolarHBondContact O-N 2.97Å; I156-Y387 HydrophobicContact CG2-CD1 4.24Å
157I75.8Confident72.8Confident0 Ų064.9 Ų64.90%033%0.329CS..Hα-helixtrans-81.9-30.4-166.765.6171.5000113.3V153 L154 R159 S161 V163 I176 L178 M383 Y387V153-I157 HydrophobicContact CG1-CD1 4.03Å; V153-I157 HydrophobicContact CG1-CG1 4.38Å; V153-I157 HydrophobicContact CG1-CG2 4.45Å; V153-I157 WeakPolarHBondContact O-CG1 3.44Å; V153-I157 PolarHBondContact O-N 3.16Å; L154-I157 HydrophobicContact CD2-CD1 4.21Å; L154-I157 HydrophobicContact CD2-CG1 4.4Å; L154-I157 PolarHBondContact O-N 3.31Å; I157-R159 PolarHBondContact O-N 3.11Å; I157-S161 WeakPolarHBondContact O-CB 3.35Å; I157-S161 PolarHBondContact O-OG 2.84Å; I157-V163 HydrophobicContact CB-CG2 4.48Å; I157-V163 HydrophobicContact CD1-CB 4.44Å; I157-V163 HydrophobicContact CD1-CG1 3.73Å; I157-V163 HydrophobicContact CD1-CG2 3.77Å; I157-V163 HydrophobicContact CG1-CG1 4.5Å; I157-V163 HydrophobicContact CG1-CG2 3.83Å; I157-I176 HydrophobicContact CD1-CG2 4.18Å; I157-L178 HydrophobicContact CB-CD1 3.93Å; I157-L178 HydrophobicContact CD1-CD1 4.4Å; I157-M383 HydrophobicContact CD1-CE 3.99Å; I157-M383 HydrophobicContact CG2-CB 4.39Å; I157-Y387 HydrophobicContact CB-CD2 4.16Å; I157-Y387 HydrophobicContact CG2-CD2 4.15Å; I157-Y387 HydrophobicContact CG2-CG 4.16Å
158N73.7Confident74.4Confident83 Ų8362.9 Ų62.944%0.44431%0.311SS..THydrogen-bonded Turntrans-65.6-11.1-179.2-75.5-9.9000114.1L154 N160 V163L154-N158 WeakPolarHBondContact O-CB 3.33Å; L154-N158 VanDerWaalsContact O-CG 3.22Å; L154-N158 PolarHBondContact O-N 3.03Å; N158-N160 PolarHBondContact O-N 3.16Å; N158-V163 WeakPolarHBondContact OD1-CG2 3.26Å
159R70Confident76.1Confident164 Ų16462 Ų6262%0.61932%0.321SS*.THydrogen-bonded Turntrans-71.393177.9-63.5178.7-175.3170.3-0.1109.1S155 I157 Y387S155-R159 PolarHBondContact O-NE 3.46Å; I157-R159 PolarHBondContact O-N 3.11Å; R159-Y387 PolarHBondContact O-OH 3.1Å
160N77.6Confident76.9Confident95 Ų9563.4 Ų63.451%0.50833%0.333SS..THydrogen-bonded Turntrans7434.3178.5-45.2-33000114.9N158 R180 Y181N158-N160 PolarHBondContact O-N 3.16Å; N160-R180 WeakPolarHBondContact O-CA 3.43Å; N160-Y181 VanDerWaalsContact CA-CE2 3.49Å; N160-Y181 HydrophobicContact CB-CD2 4.06Å; N160-Y181 HydrophobicContact CB-CE2 4.17Å; N160-Y181 PolarHBondContact O-N 3.22Å; N160-Y181 VanDerWaalsContact O-N 3.16Å
161S83.2Confident77.4Confident7 Ų767.2 Ų67.25%0.04935%0.353CS..EExtended strand (participates in β ladder)trans-141.5156.317582.40000112.3I157 V163 L178 A179I157-S161 WeakPolarHBondContact O-CB 3.35Å; I157-S161 PolarHBondContact O-OG 2.84Å; S161-V163 WeakPolarHBondContact OG-CG2 3.4Å; S161-L178 WeakPolarHBondContact OG-CD1 3.21Å; S161-A179 CarbonylContact C-O 3.56Å; S161-A179 VanDerWaalsContact CA-O 3.29Å; S161-A179 WeakPolarHBondContact CA-O 3.32Å; S161-A179 WeakPolarHBondContact CB-O 3.45Å
162Y83.4Confident77.6Confident92 Ų9264.1 Ų64.136%0.36134%0.335SS..EExtended strand (participates in β ladder)trans-85.4135.7161.2-58.5-80.1000109.2L178 A179 Y181 V184 I247Y162-L178 WeakPolarHBondContact O-CA 3.38Å; Y162-A179 PolarHBondContact N-O 3.33Å; Y162-A179 PolarHBondContact O-N 3.16Å; Y162-Y181 HydrophobicContact CD1-CE1 4.26Å; Y162-Y181 AromaticContact CD2-CD1 3.64Å; Y162-Y181 HydrophobicContact CD2-CD1 3.64Å; Y162-Y181 AromaticContact CD2-CE1 3.89Å; Y162-Y181 HydrophobicContact CD2-CE1 3.89Å; Y162-Y181 HydrophobicContact CE1-CD1 4.47Å; Y162-Y181 HydrophobicContact CE1-CE1 4.06Å; Y162-Y181 AromaticContact CE2-CD1 3.29Å; Y162-Y181 HydrophobicContact CE2-CD1 3.29Å; Y162-Y181 AromaticContact CE2-CE1 3.7Å; Y162-Y181 HydrophobicContact CE2-CE1 3.7Å; Y162-Y181 HydrophobicContact CE2-CG 4.4Å; Y162-Y181 HydrophobicContact CG-CD1 4.38Å; Y162-Y181 HydrophobicContact CG-CE1 4.17Å; Y162-Y181 AromaticContact CZ-CD1 3.75Å; Y162-Y181 AromaticContact CZ-CE1 3.77Å; Y162-V184 HydrophobicContact CD2-CG2 3.69Å; Y162-V184 HydrophobicContact CE2-CB 4.25Å; Y162-V184 HydrophobicContact CE2-CG1 4.47Å; Y162-V184 HydrophobicContact CE2-CG2 3.83Å; Y162-I247 HydrophobicContact CD2-CG2 4.13Å; Y162-I247 HydrophobicContact CG-CG2 4.26Å
163V83.7Confident78Confident38 Ų3860.9 Ų60.923%0.2332%0.321CS..EExtended strand (participates in β ladder)trans-127.3125.9179.2-178.40000109.5L154 I157 N158 S161 I165 I176 T177 L178L154-V163 HydrophobicContact CD2-CG1 3.8Å; I157-V163 HydrophobicContact CB-CG2 4.48Å; I157-V163 HydrophobicContact CD1-CB 4.44Å; I157-V163 HydrophobicContact CD1-CG1 3.73Å; I157-V163 HydrophobicContact CD1-CG2 3.77Å; I157-V163 HydrophobicContact CG1-CG1 4.5Å; I157-V163 HydrophobicContact CG1-CG2 3.83Å; N158-V163 WeakPolarHBondContact OD1-CG2 3.26Å; S161-V163 WeakPolarHBondContact OG-CG2 3.4Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; V163-I176 HydrophobicContact CG1-CG2 4.33Å; V163-T177 CarbonylContact C-O 3.45Å; V163-T177 VanDerWaalsContact CA-O 3.26Å; V163-T177 WeakPolarHBondContact CA-O 3.48Å; V163-L178 HydrophobicContact CG2-CD1 3.91Å
164G82.4Confident78.4Confident12 Ų1261.6 Ų61.612%0.12433%0.325CS..EExtended strand (participates in β ladder)trans-104.1135.9170.900000109.9I176 T177G164-I176 CarbonylContact O-C 3.57Å; G164-I176 WeakPolarHBondContact O-CA 3.45Å; G164-T177 PolarHBondContact N-O 3.32Å; G164-T177 PolarHBondContact O-N 2.91Å
165I83.1Confident78.9Confident56 Ų5660.5 Ų60.529%0.28732%0.32SS..EExtended strand (participates in β ladder)trans-129.8120.9177.6-52175.6000107.5L154 V163 R167 V173L154-I165 HydrophobicContact CD1-CD1 3.75Å; L154-I165 HydrophobicContact CD2-CD1 3.6Å; L154-I165 HydrophobicContact CD2-CG1 4.36Å; L154-I165 HydrophobicContact CG-CD1 4.25Å; V163-I165 HydrophobicContact CG1-CG1 4.1Å; I165-R167 HydrophobicContact CG2-CG 4.37Å; I165-V173 HydrophobicContact CG2-CB 4.39Å; I165-V173 HydrophobicContact CG2-CG1 3.78Å; I165-V173 HydrophobicContact CG2-CG2 3.8Å
166E85.1Confident79.5Confident64 Ų6458 Ų5830%0.29930%0.302SS..EExtended strand (participates in β ladder)trans-101.3139.3170.6-173.365.2-165.700109.6V173 T174 Q175 I239 H243E166-V173 WeakPolarHBondContact O-CA 3.41Å; E166-T174 PolarHBondContact O-N 3.39Å; E166-T174 PolarHBondContact O-OG1 3.34Å; E166-Q175 HydrophobicContact CB-CB 3.94Å; E166-Q175 PolarHBondContact N-O 3.47Å; E166-I239 HydrophobicContact CB-CG2 3.85Å; E166-I239 HydrophobicContact CG-CD1 3.98Å; E166-I239 HydrophobicContact CG-CG1 4.39Å; E166-I239 HydrophobicContact CG-CG2 3.77Å; E166-H243 IonicContact OE2-NE2 2.94Å
167R81.9Confident80.3Confident107 Ų10756 Ų5640%0.40429%0.291SS..EExtended strand (participates in β ladder)trans-124.5145.2174.5-60.2-173.3179.9-169.5-4.9110.6I165 D171 Q172 V173I165-R167 HydrophobicContact CG2-CG 4.37Å; R167-D171 WeakPolarHBondContact CD-OD1 3.16Å; R167-D171 IonicContact CZ-OD1 3.45Å; R167-D171 IonicContact NE-OD1 3.48Å; R167-D171 IonicContact NH1-OD1 3.09Å; R167-D171 PolarHBondContact NH1-OD1 2.66Å; R167-D171 IonicContact NH1-OD2 3.91Å; R167-D171 PolarHBondContact NH1-OD2 3.26Å; R167-Q172 CarbonylContact C-O 3.57Å; R167-Q172 VanDerWaalsContact CA-O 3.22Å; R167-Q172 WeakPolarHBondContact CA-O 3.25Å; R167-V173 HydrophobicContact CG-CG2 4.18Å
168N78.3Confident80.9Confident57 Ų5756 Ų5631%0.30529%0.291SS..  trans-79.5179.91736720.4000112S170 D171 Q172 T174N168-S170 PolarHBondContact O-N 2.87Å; N168-S170 WeakPolarHBondContact OD1-CA 3.44Å; N168-S170 WeakPolarHBondContact OD1-CB 3.41Å; N168-S170 PolarHBondContact OD1-N 2.79Å; N168-D171 PolarHBondContact O-N 3.48Å; N168-D171 PolarHBondContact OD1-N 3.49Å; N168-Q172 PolarHBondContact N-O 2.98Å; N168-Q172 PolarHBondContact ND2-OE1 2.92Å; N168-Q172 WeakPolarHBondContact OD1-CB 3.37Å; N168-Q172 PolarHBondContact OD1-N 2.94Å; N168-T174 HydrophobicContact CB-CG2 3.83Å
169S81Confident81.6Confident130 Ų13052 Ų5291%0.90927%0.27SS*.THydrogen-bonded Turntrans-61-14.7176.954.40000114.8
170S79.3Confident82.5Confident85 Ų8545.9 Ų45.959%0.59425%0.247SC*.THydrogen-bonded Turntrans-98.216173.7-52.30000112.7N168 Q172N168-S170 PolarHBondContact O-N 2.87Å; N168-S170 WeakPolarHBondContact OD1-CA 3.44Å; N168-S170 WeakPolarHBondContact OD1-CB 3.41Å; N168-S170 PolarHBondContact OD1-N 2.79Å; S170-Q172 PolarHBondContact O-N 2.92Å
171D75.1Confident82.7Confident104 Ų10446 Ų4656%0.55624%0.241SC*.SBendtrans6119-178.6-159.740.9000114.6R167 N168R167-D171 WeakPolarHBondContact CD-OD1 3.16Å; R167-D171 IonicContact CZ-OD1 3.45Å; R167-D171 IonicContact NE-OD1 3.48Å; R167-D171 IonicContact NH1-OD1 3.09Å; R167-D171 PolarHBondContact NH1-OD1 2.66Å; R167-D171 IonicContact NH1-OD2 3.91Å; R167-D171 PolarHBondContact NH1-OD2 3.26Å; N168-D171 PolarHBondContact O-N 3.48Å; N168-D171 PolarHBondContact OD1-N 3.49Å
172Q73.1Confident82.9Confident41 Ų4150.8 Ų50.819%0.19226%0.263CS..  trans-88.6133178-53.7-175.5-40.600110.2R140 A144 R167 N168 S170 T174R140-Q172 PolarHBondContact O-NE2 2.76Å; R140-Q172 VanDerWaalsContact O-NE2 3.16Å; A144-Q172 HydrophobicContact CB-CG 4.49Å; R167-Q172 CarbonylContact C-O 3.57Å; R167-Q172 VanDerWaalsContact CA-O 3.22Å; R167-Q172 WeakPolarHBondContact CA-O 3.25Å; N168-Q172 PolarHBondContact N-O 2.98Å; N168-Q172 PolarHBondContact ND2-OE1 2.92Å; N168-Q172 WeakPolarHBondContact OD1-CB 3.37Å; N168-Q172 PolarHBondContact OD1-N 2.94Å; S170-Q172 PolarHBondContact O-N 2.92Å; Q172-T174 PolarHBondContact O-N 2.95Å
173V77.6Confident83.2Confident10 Ų1046.7 Ų46.76%0.06125%0.247CC..EExtended strand (participates in β ladder)trans-64.4120.9175.1-178.90000109.9I143 L150 I165 E166 R167 I176I143-V173 HydrophobicContact CD1-CB 4.34Å; I143-V173 WeakPolarHBondContact CD1-O 3.23Å; I143-V173 HydrophobicContact CG2-CB 3.64Å; I143-V173 HydrophobicContact CG2-CG2 4.05Å; L150-V173 HydrophobicContact CD1-CG2 4.32Å; L150-V173 HydrophobicContact CD2-CG2 3.83Å; I165-V173 HydrophobicContact CG2-CB 4.39Å; I165-V173 HydrophobicContact CG2-CG1 3.78Å; I165-V173 HydrophobicContact CG2-CG2 3.8Å; E166-V173 WeakPolarHBondContact O-CA 3.41Å; R167-V173 HydrophobicContact CG-CG2 4.18Å; V173-I176 HydrophobicContact CG1-CD1 4.12Å; V173-I176 HydrophobicContact CG1-CG1 3.59Å
174T80.3Confident83.4Confident19 Ų1945 Ų4512%0.11724%0.236CC..EExtended strand (participates in β ladder)trans-103.4-29.3179.148.60000112.1E166 N168 Q172 S229 T230 V231E166-T174 PolarHBondContact O-N 3.39Å; E166-T174 PolarHBondContact O-OG1 3.34Å; N168-T174 HydrophobicContact CB-CG2 3.83Å; Q172-T174 PolarHBondContact O-N 2.95Å; T174-S229 WeakPolarHBondContact O-CA 3.15Å; T174-T230 PolarHBondContact O-N 3.17Å; T174-T230 PolarHBondContact O-OG1 3.13Å; T174-V231 HydrophobicContact CG2-CG2 3.77Å
175Q85.3Confident83.7Confident3 Ų348.3 Ų48.31%0.01425%0.251CS..EExtended strand (participates in β ladder)trans-144.9138.5-177.2-175.6174.4-36.100111.2E166 T177 S227 V228E166-Q175 HydrophobicContact CB-CB 3.94Å; E166-Q175 PolarHBondContact N-O 3.47Å; Q175-T177 PolarHBondContact NE2-OG1 3.4Å; Q175-S227 VanDerWaalsContact CG-OG 3.25Å; Q175-S227 WeakPolarHBondContact CG-OG 3.41Å; Q175-S227 PolarHBondContact NE2-OG 2.84Å; Q175-V228 CarbonylContact C-O 3.57Å; Q175-V228 VanDerWaalsContact CA-O 3.28Å; Q175-V228 WeakPolarHBondContact CA-O 3.37Å
176I86.3Confident84.2Confident8 Ų846.1 Ų46.14%0.04124%0.24CC..EExtended strand (participates in β ladder)trans-124.8125171-55176.4000108L150 I157 V163 G164 V173 S227 V228 V379 M383L150-I176 HydrophobicContact CD1-CD1 4.26Å; I157-I176 HydrophobicContact CD1-CG2 4.18Å; V163-I176 HydrophobicContact CG1-CG2 4.33Å; G164-I176 CarbonylContact O-C 3.57Å; G164-I176 WeakPolarHBondContact O-CA 3.45Å; V173-I176 HydrophobicContact CG1-CD1 4.12Å; V173-I176 HydrophobicContact CG1-CG1 3.59Å; I176-S227 WeakPolarHBondContact O-CA 3.42Å; I176-S227 PolarHBondContact O-OG 3.01Å; I176-V228 PolarHBondContact N-O 3.14Å; I176-V228 PolarHBondContact O-N 3.32Å; I176-V379 HydrophobicContact CD1-CG1 3.71Å; I176-M383 HydrophobicContact CB-CE 4.31Å; I176-M383 HydrophobicContact CB-SD 4.16Å; I176-M383 HydrophobicContact CD1-CG 4.35Å; I176-M383 HydrophobicContact CG2-CE 3.58Å; I176-M383 HydrophobicContact CG2-SD 4.02Å
177T89.6Confident84.6Confident0 Ų043.2 Ų43.20%023%0.227CC..EExtended strand (participates in β ladder)trans-115.7142.1179.6-570000109.7V163 G164 Q175 M225 Y226 S227 H243 I247V163-T177 CarbonylContact C-O 3.45Å; V163-T177 VanDerWaalsContact CA-O 3.26Å; V163-T177 WeakPolarHBondContact CA-O 3.48Å; G164-T177 PolarHBondContact N-O 3.32Å; G164-T177 PolarHBondContact O-N 2.91Å; Q175-T177 PolarHBondContact NE2-OG1 3.4Å; T177-M225 HydrophobicContact CG2-CE 3.87Å; T177-M225 HydrophobicContact CG2-CG 3.55Å; T177-M225 HydrophobicContact CG2-SD 3.33Å; T177-M225 WeakPolarHBondContact CG2-SD 3.24Å; T177-Y226 CarbonylContact C-O 3.52Å; T177-Y226 WeakPolarHBondContact CA-O 3.33Å; T177-Y226 WeakPolarHBondContact CG2-O 3.25Å; T177-S227 WeakPolarHBondContact OG1-CB 3.46Å; T177-S227 PolarHBondContact OG1-OG 3.4Å; T177-H243 WeakPolarHBondContact CB-ND1 3.33Å; T177-H243 HydrophobicContact CG2-CB 4.1Å; T177-H243 PolarHBondContact OG1-ND1 3.01Å; T177-I247 HydrophobicContact CG2-CD1 3.82Å
178L89.6Confident85Confident0 Ų044.5 Ų44.50%023%0.232CC..EExtended strand (participates in β ladder)trans-138.3132.7-175.6178.772.6000110.4I157 S161 Y162 V163 M225 Y226 M383 I386 Y387I157-L178 HydrophobicContact CB-CD1 3.93Å; I157-L178 HydrophobicContact CD1-CD1 4.4Å; S161-L178 WeakPolarHBondContact OG-CD1 3.21Å; Y162-L178 WeakPolarHBondContact O-CA 3.38Å; V163-L178 HydrophobicContact CG2-CD1 3.91Å; L178-M225 WeakPolarHBondContact O-CA 3.36Å; L178-Y226 PolarHBondContact N-O 3.31Å; L178-Y226 PolarHBondContact O-N 2.96Å; L178-M383 HydrophobicContact CB-CE 4.19Å; L178-I386 HydrophobicContact CD2-CG2 4.07Å; L178-Y387 HydrophobicContact CD1-CD2 4.49Å; L178-Y387 HydrophobicContact CD2-CD2 4.15Å
179A88.1Confident85.7Confident0 Ų045.7 Ų45.70%024%0.235CC..EExtended strand (participates in β ladder)trans-144.7126.4165.500000110.1S161 Y162 V184 I224 M225 I247S161-A179 CarbonylContact C-O 3.56Å; S161-A179 VanDerWaalsContact CA-O 3.29Å; S161-A179 WeakPolarHBondContact CA-O 3.32Å; S161-A179 WeakPolarHBondContact CB-O 3.45Å; Y162-A179 PolarHBondContact N-O 3.33Å; Y162-A179 PolarHBondContact O-N 3.16Å; A179-V184 HydrophobicContact CB-CG2 3.99Å; A179-I224 VanDerWaalsContact CB-O 3.3Å; A179-I224 WeakPolarHBondContact CB-O 3.49Å; A179-M225 HydrophobicContact CB-CB 4.21Å; A179-M225 HydrophobicContact CB-CG 4.14Å; A179-I247 HydrophobicContact CB-CD1 4.45Å; A179-I247 HydrophobicContact CB-CG2 3.63Å
180R87.7Confident86.4Confident35 Ų3539.7 Ų39.713%0.13219%0.193CC..EExtended strand (participates in β ladder)trans-70.5157173.1-66.5-170.1174.3-150.12.7111.6N160 E182 Q183 V184 Y387 A390 G391N160-R180 WeakPolarHBondContact O-CA 3.43Å; R180-E182 VanDerWaalsContact C-N 3.3Å; R180-E182 PolarHBondContact O-N 3.33Å; R180-Q183 HydrophobicContact CB-CB 4.42Å; R180-Q183 HydrophobicContact CB-CG 4.13Å; R180-Q183 WeakPolarHBondContact O-CB 3.43Å; R180-Q183 PolarHBondContact O-N 3.15Å; R180-Q183 VanDerWaalsContact O-N 3.1Å; R180-V184 PolarHBondContact O-N 3.35Å; R180-V184 VanDerWaalsContact O-N 3.11Å; R180-Y387 PolarHBondContact NE-O 3.29Å; R180-Y387 PolarHBondContact NH2-O 3.27Å; R180-A390 HydrophobicContact CG-CB 4.27Å; R180-G391 VanDerWaalsContact NH1-CA 3.31Å
181Y83.1Confident87.1Confident97 Ų9736.2 Ų36.238%0.3817%0.168SC..Hα-helixtrans-58.3-43.3179.3-59.2-23.3000112.1N160 Y162 Q183 V184 D185N160-Y181 VanDerWaalsContact CA-CE2 3.49Å; N160-Y181 HydrophobicContact CB-CD2 4.06Å; N160-Y181 HydrophobicContact CB-CE2 4.17Å; N160-Y181 PolarHBondContact O-N 3.22Å; N160-Y181 VanDerWaalsContact O-N 3.16Å; Y162-Y181 HydrophobicContact CD1-CE1 4.26Å; Y162-Y181 AromaticContact CD2-CD1 3.64Å; Y162-Y181 HydrophobicContact CD2-CD1 3.64Å; Y162-Y181 AromaticContact CD2-CE1 3.89Å; Y162-Y181 HydrophobicContact CD2-CE1 3.89Å; Y162-Y181 HydrophobicContact CE1-CD1 4.47Å; Y162-Y181 HydrophobicContact CE1-CE1 4.06Å; Y162-Y181 AromaticContact CE2-CD1 3.29Å; Y162-Y181 HydrophobicContact CE2-CD1 3.29Å; Y162-Y181 AromaticContact CE2-CE1 3.7Å; Y162-Y181 HydrophobicContact CE2-CE1 3.7Å; Y162-Y181 HydrophobicContact CE2-CG 4.4Å; Y162-Y181 HydrophobicContact CG-CD1 4.38Å; Y162-Y181 HydrophobicContact CG-CE1 4.17Å; Y162-Y181 AromaticContact CZ-CD1 3.75Å; Y162-Y181 AromaticContact CZ-CE1 3.77Å; Y181-Q183 VanDerWaalsContact C-N 3.26Å; Y181-Q183 PolarHBondContact O-N 3.47Å; Y181-V184 PolarHBondContact O-N 2.95Å; Y181-V184 VanDerWaalsContact O-N 3.16Å; Y181-D185 PolarHBondContact O-N 3.17Å
182E86.7Confident88.1Confident109 Ų10932.4 Ų32.451%0.50915%0.147SC..Hα-helixtrans-64.5-33.4178.7-54.294164.500112.1R180 D185 V186R180-E182 VanDerWaalsContact C-N 3.3Å; R180-E182 PolarHBondContact O-N 3.33Å; E182-D185 PolarHBondContact O-N 2.97Å; E182-V186 WeakPolarHBondContact O-CG2 3.44Å; E182-V186 PolarHBondContact O-N 3.41Å
183Q90.6Very high89.2Confident6 Ų630.5 Ų30.53%0.02814%0.138CC..Hα-helixtrans-67.2-38.5176.6-72-178.8-66.800112R180 Y181 V186 Y187 P223 I224R180-Q183 HydrophobicContact CB-CB 4.42Å; R180-Q183 HydrophobicContact CB-CG 4.13Å; R180-Q183 WeakPolarHBondContact O-CB 3.43Å; R180-Q183 PolarHBondContact O-N 3.15Å; R180-Q183 VanDerWaalsContact O-N 3.1Å; Y181-Q183 VanDerWaalsContact C-N 3.26Å; Y181-Q183 PolarHBondContact O-N 3.47Å; Q183-V186 PolarHBondContact O-N 2.87Å; Q183-Y187 PolarHBondContact O-N 2.58Å; Q183-Y187 VanDerWaalsContact O-N 3.14Å; Q183-P223 PolarHBondContact NE2-O 3.39Å; Q183-I224 WeakPolarHBondContact CB-O 3.33Å; Q183-I224 WeakPolarHBondContact O-CG2 3.34Å
184V88.3Confident90.1Very high1 Ų130 Ų301%0.00614%0.136CC..Hα-helixtrans-67-39.8174.61770000111.1Y162 A179 R180 Y181 V186 Y187 R188 I247Y162-V184 HydrophobicContact CD2-CG2 3.69Å; Y162-V184 HydrophobicContact CE2-CB 4.25Å; Y162-V184 HydrophobicContact CE2-CG1 4.47Å; Y162-V184 HydrophobicContact CE2-CG2 3.83Å; A179-V184 HydrophobicContact CB-CG2 3.99Å; R180-V184 PolarHBondContact O-N 3.35Å; R180-V184 VanDerWaalsContact O-N 3.11Å; Y181-V184 PolarHBondContact O-N 2.95Å; Y181-V184 VanDerWaalsContact O-N 3.16Å; V184-V186 VanDerWaalsContact C-N 3.25Å; V184-V186 PolarHBondContact O-N 2.91Å; V184-Y187 WeakPolarHBondContact O-CB 3.42Å; V184-Y187 PolarHBondContact O-N 3.12Å; V184-R188 WeakPolarHBondContact O-CG 3.43Å; V184-R188 PolarHBondContact O-N 2.97Å; V184-I247 HydrophobicContact CG2-CG2 3.56Å
185D88.7Confident90.8Very high82 Ų8229.2 Ų29.244%0.43913%0.131SC..Hα-helixtrans-63.8-34176.1-69.1-27.5000112.1Y181 E182 R188 Q189Y181-D185 PolarHBondContact O-N 3.17Å; E182-D185 PolarHBondContact O-N 2.97Å; D185-R188 WeakPolarHBondContact O-CB 3.46Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 2.77Å; D185-R188 IonicContact OD1-NH1 3.66Å; D185-R188 PolarHBondContact OD1-NH1 2.82Å; D185-Q189 PolarHBondContact O-N 2.97Å
186V91.7Very high91.2Very high10 Ų1029.1 Ų29.16%0.06113%0.13CC..Hα-helixtrans-68.2-38.5174.9172.10000111.4E182 Q183 V184 R188 Q189 Y190 V214 R222 I224 W394 L530E182-V186 WeakPolarHBondContact O-CG2 3.44Å; E182-V186 PolarHBondContact O-N 3.41Å; Q183-V186 PolarHBondContact O-N 2.87Å; V184-V186 VanDerWaalsContact C-N 3.25Å; V184-V186 PolarHBondContact O-N 2.91Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 2.85Å; V186-Q189 PolarHBondContact O-N 3.49Å; V186-Y190 HydrophobicContact CG1-CD2 3.91Å; V186-Y190 HydrophobicContact CG1-CE2 4.41Å; V186-Y190 WeakPolarHBondContact O-CD2 3.48Å; V186-Y190 PolarHBondContact O-N 2.93Å; V186-V214 HydrophobicContact CG1-CG2 3.99Å; V186-R222 HydrophobicContact CG1-CB 4.24Å; V186-R222 HydrophobicContact CG1-CG 4.43Å; V186-I224 HydrophobicContact CG1-CG2 4.45Å; V186-W394 HydrophobicContact CB-CH2 3.69Å; V186-W394 HydrophobicContact CB-CZ3 4.03Å; V186-W394 HydrophobicContact CG1-CH2 3.54Å; V186-W394 HydrophobicContact CG1-CZ3 3.72Å; V186-W394 HydrophobicContact CG2-CH2 3.37Å; V186-W394 HydrophobicContact CG2-CZ3 3.36Å; V186-L530 HydrophobicContact CG2-CD2 4.47Å
187Y93.9Very high91.4Very high4 Ų429 Ų292%0.01613%0.129CC..Hα-helixtrans-58.7-46.4170.2172.4-101000111.6Q183 V184 Q189 Y190 P191 V194 V214 I224 F244 V248 V251 T254Q183-Y187 PolarHBondContact O-N 2.58Å; Q183-Y187 VanDerWaalsContact O-N 3.14Å; V184-Y187 WeakPolarHBondContact O-CB 3.42Å; V184-Y187 PolarHBondContact O-N 3.12Å; Y187-Q189 PolarHBondContact O-N 3.35Å; Y187-Y190 CarbonylContact O-C 3.55Å; Y187-Y190 VanDerWaalsContact O-C 3.27Å; Y187-Y190 PolarHBondContact O-N 2.99Å; Y187-P191 HydrophobicContact CE1-CB 4.44Å; Y187-P191 HydrophobicContact CE2-CB 4.05Å; Y187-P191 VanDerWaalsContact O-CA 3.28Å; Y187-P191 WeakPolarHBondContact O-CA 3.44Å; Y187-P191 WeakPolarHBondContact O-CB 3.33Å; Y187-P191 WeakPolarHBondContact O-CD 3.17Å; Y187-V194 HydrophobicContact CD2-CG2 4.27Å; Y187-V194 HydrophobicContact CE2-CG2 3.65Å; Y187-V214 HydrophobicContact CD2-CG1 3.92Å; Y187-I224 HydrophobicContact CD2-CD1 3.55Å; Y187-I224 HydrophobicContact CG-CD1 3.9Å; Y187-F244 HydrophobicContact CD2-CZ 4.06Å; Y187-F244 HydrophobicContact CE2-CE1 4.45Å; Y187-F244 AromaticContact CE2-CZ 3.77Å; Y187-F244 HydrophobicContact CE2-CZ 3.77Å; Y187-V248 HydrophobicContact CD1-CB 3.49Å; Y187-V248 VanDerWaalsContact CD1-CB 3.49Å; Y187-V248 HydrophobicContact CD1-CG1 3.87Å; Y187-V248 HydrophobicContact CD1-CG2 3.86Å; Y187-V248 HydrophobicContact CE1-CB 3.69Å; Y187-V248 HydrophobicContact CE1-CG1 4.39Å; Y187-V248 HydrophobicContact CE1-CG2 3.51Å; Y187-V248 HydrophobicContact CG-CB 4.22Å; Y187-V248 HydrophobicContact CG-CG1 4.09Å; Y187-V251 WeakPolarHBondContact OH-CA 3.4Å; Y187-T254 PolarHBondContact OH-OG1 3.47Å
188R91.5Very high91.2Very high134 Ų13429.7 Ų29.751%0.50614%0.135SC..Hα-helixtrans-60.4-32.8179.7-67.7170.1179.7161.8-4.5112.1V184 D185 V186V184-R188 WeakPolarHBondContact O-CG 3.43Å; V184-R188 PolarHBondContact O-N 2.97Å; D185-R188 WeakPolarHBondContact O-CB 3.46Å; D185-R188 PolarHBondContact O-N 3.14Å; D185-R188 IonicContact OD1-CZ 2.77Å; D185-R188 IonicContact OD1-NH1 3.66Å; D185-R188 PolarHBondContact OD1-NH1 2.82Å; V186-R188 VanDerWaalsContact C-N 3.33Å; V186-R188 PolarHBondContact O-N 2.85Å
189Q92.5Very high91Very high82 Ų8230.3 Ų30.338%0.38314%0.14SC..Hα-helixtrans-79.9-34.1177.9-166.417417.600113.3D185 V186 Y187 P191 N526D185-Q189 PolarHBondContact O-N 2.97Å; V186-Q189 PolarHBondContact O-N 3.49Å; Y187-Q189 PolarHBondContact O-N 3.35Å; Q189-P191 VanDerWaalsContact C-CD 3.43Å; Q189-N526 PolarHBondContact NE2-O 3.45Å
190Y94.8Very high90.8Very high3 Ų334 Ų341%0.01216%0.155CC..SBendtrans-128.960.8-178-50.9-76.4000112.8V186 Y187 E192 D216 N527 L530V186-Y190 HydrophobicContact CG1-CD2 3.91Å; V186-Y190 HydrophobicContact CG1-CE2 4.41Å; V186-Y190 WeakPolarHBondContact O-CD2 3.48Å; V186-Y190 PolarHBondContact O-N 2.93Å; Y187-Y190 CarbonylContact O-C 3.55Å; Y187-Y190 VanDerWaalsContact O-C 3.27Å; Y187-Y190 PolarHBondContact O-N 2.99Å; Y190-E192 VanDerWaalsContact C-N 3.29Å; Y190-E192 VanDerWaalsContact C-OE2 3.22Å; Y190-E192 WeakPolarHBondContact CA-OE2 3.38Å; Y190-E192 PolarHBondContact O-N 3.24Å; Y190-D216 HydrophobicContact CD2-CB 4.16Å; Y190-D216 HydrophobicContact CE2-CB 4.14Å; Y190-D216 HydrophobicContact CG-CB 4.48Å; Y190-N527 PolarHBondContact OH-OD1 2.99Å; Y190-L530 HydrophobicContact CE2-CD1 3.61Å; Y190-L530 WeakPolarHBondContact OH-CD1 3.38Å
191P95.7Very high90.6Very high13 Ų1336.6 Ų36.68%0.08417%0.171CC..  trans-79.9-10.1-171.632.5-37.3000113.4Y187 Q189 V193 N253 T254Y187-P191 HydrophobicContact CE1-CB 4.44Å; Y187-P191 HydrophobicContact CE2-CB 4.05Å; Y187-P191 VanDerWaalsContact O-CA 3.28Å; Y187-P191 WeakPolarHBondContact O-CA 3.44Å; Y187-P191 WeakPolarHBondContact O-CB 3.33Å; Y187-P191 WeakPolarHBondContact O-CD 3.17Å; Q189-P191 VanDerWaalsContact C-CD 3.43Å; P191-V193 PolarHBondContact O-N 2.86Å; P191-N253 HydrophobicContact CB-CB 3.95Å; P191-N253 HydrophobicContact CG-CB 3.55Å; P191-T254 WeakPolarHBondContact O-CA 3.26Å; P191-T254 WeakPolarHBondContact O-CB 3.11Å; P191-T254 PolarHBondContact O-OG1 3.16Å
192E96.1Very high90.6Very high23 Ų2332.3 Ų32.311%0.10716%0.155CC..SBendtrans-69.1-33.8-157.5-49.3100137.900113.2Y190 H255 T256 I352 F496 R521Y190-E192 VanDerWaalsContact C-N 3.29Å; Y190-E192 VanDerWaalsContact C-OE2 3.22Å; Y190-E192 WeakPolarHBondContact CA-OE2 3.38Å; Y190-E192 PolarHBondContact O-N 3.24Å; E192-H255 PolarHBondContact O-N 3.07Å; E192-T256 PolarHBondContact O-N 3.39Å; E192-I352 HydrophobicContact CB-CG2 4.5Å; E192-F496 HydrophobicContact CB-CE2 4.44Å; E192-F496 HydrophobicContact CG-CE2 4.15Å; E192-R521 VanDerWaalsContact CD-NE 3.34Å; E192-R521 WeakPolarHBondContact OE1-CD 3.42Å; E192-R521 IonicContact OE1-CZ 2.87Å; E192-R521 IonicContact OE1-NE 2.92Å; E192-R521 PolarHBondContact OE1-NE 2.95Å; E192-R521 IonicContact OE1-NH2 3.57Å; E192-R521 IonicContact OE2-CZ 3.88Å; E192-R521 IonicContact OE2-NE 2.6Å; E192-R521 PolarHBondContact OE2-NE 3.04Å; E192-R521 IonicContact OE2-NH2 2.76Å; E192-R521 PolarHBondContact OE2-NH2 3.01Å
193V95.7Very high90.3Very high2 Ų227.3 Ų27.31%0.01213%0.132CC..EExtended strand (participates in β ladder)trans-130.6119.5179.1-176.20000109.5P191 T256 I258 I352 L354P191-V193 PolarHBondContact O-N 2.86Å; V193-T256 WeakPolarHBondContact CA-O 3.34Å; V193-T256 HydrophobicContact CG1-CG2 4.45Å; V193-I258 HydrophobicContact CG1-CD1 3.79Å; V193-I258 HydrophobicContact CG1-CG1 4.28Å; V193-I352 HydrophobicContact CG2-CG2 4Å; V193-I352 VanDerWaalsContact CG2-O 3.28Å; V193-I352 WeakPolarHBondContact CG2-O 3.19Å; V193-L354 HydrophobicContact CB-CD1 3.93Å; V193-L354 HydrophobicContact CB-CG 4.39Å; V193-L354 HydrophobicContact CG2-CD1 3.7Å; V193-L354 HydrophobicContact CG2-CD2 4.42Å; V193-L354 HydrophobicContact CG2-CG 3.63Å
194V95.5Very high89.7Confident0 Ų029.9 Ų29.90%015%0.151CC..EExtended strand (participates in β ladder)trans-115.9129.9176.8179.40000109Y187 F212 V214 F244 T254 T256 F257 I258Y187-V194 HydrophobicContact CD2-CG2 4.27Å; Y187-V194 HydrophobicContact CE2-CG2 3.65Å; V194-F212 HydrophobicContact CG1-CD1 3.78Å; V194-V214 HydrophobicContact CG2-CG1 4.24Å; V194-F244 HydrophobicContact CG1-CZ 4.45Å; V194-T254 HydrophobicContact CB-CG2 4.22Å; V194-T254 HydrophobicContact CG2-CG2 3.77Å; V194-T256 PolarHBondContact N-O 3.13Å; V194-F257 HydrophobicContact CB-CD2 3.95Å; V194-F257 HydrophobicContact CB-CE2 4.21Å; V194-F257 HydrophobicContact CG1-CD2 4Å; V194-F257 HydrophobicContact CG1-CE2 3.72Å; V194-F257 CarbonylContact O-C 3.54Å; V194-F257 WeakPolarHBondContact O-CA 3.5Å; V194-I258 PolarHBondContact O-N 2.83Å
195L95Very high89.1Confident2 Ų232.6 Ų32.61%0.0116%0.162CC..EExtended strand (participates in β ladder)trans-105.2127170.5167.266.9000109.3N197 F212 I213 I258 D260 I361 I362 V365L195-N197 HydrophobicContact CD2-CB 4.45Å; L195-N197 HydrophobicContact CG-CB 4.39Å; L195-F212 CarbonylContact O-C 3.57Å; L195-F212 WeakPolarHBondContact O-CA 3.19Å; L195-I213 HydrophobicContact CB-CB 4.22Å; L195-I213 HydrophobicContact CD2-CB 4.43Å; L195-I213 HydrophobicContact CD2-CD1 4.28Å; L195-I213 PolarHBondContact N-O 3.26Å; L195-I213 PolarHBondContact O-N 2.99Å; L195-I258 WeakPolarHBondContact CA-O 3.34Å; L195-I258 HydrophobicContact CB-CB 4.36Å; L195-I258 HydrophobicContact CD1-CB 3.85Å; L195-I258 HydrophobicContact CD1-CG2 3.61Å; L195-D260 HydrophobicContact CD1-CB 3.7Å; L195-I361 HydrophobicContact CB-CG2 4.5Å; L195-I361 HydrophobicContact CD2-CG2 4.15Å; L195-I362 HydrophobicContact CD1-CG1 4.08Å; L195-I362 HydrophobicContact CD2-CG1 4.28Å; L195-V365 HydrophobicContact CD2-CG2 3.55Å
196L93.4Very high88.6Confident0 Ų029.2 Ų29.20%015%0.147CC..EExtended strand (participates in β ladder)trans-95.1106.7162173.557.4000109F210 F212 L237 L240 F257 I258 D260L196-F210 HydrophobicContact CD1-CB 4.13Å; L196-F210 HydrophobicContact CD1-CD1 4.09Å; L196-F212 HydrophobicContact CD1-CD2 4.02Å; L196-F212 HydrophobicContact CD1-CE2 3.61Å; L196-F212 HydrophobicContact CD1-CZ 3.9Å; L196-L237 HydrophobicContact CD2-CD1 3.67Å; L196-L240 HydrophobicContact CD1-CD2 3.9Å; L196-L240 HydrophobicContact CD2-CD2 4.29Å; L196-F257 HydrophobicContact CB-CE1 3.87Å; L196-F257 HydrophobicContact CB-CZ 3.74Å; L196-F257 HydrophobicContact CD2-CE1 4.43Å; L196-F257 HydrophobicContact CD2-CZ 4.36Å; L196-I258 PolarHBondContact N-O 3.23Å; L196-D260 CarbonylContact O-C 3.54Å; L196-D260 WeakPolarHBondContact O-CA 3.29Å; L196-D260 WeakPolarHBondContact O-CB 3.2Å; L196-D260 PolarHBondContact O-N 3.05Å
197N90.4Very high88.1Confident5 Ų529 Ų293%0.02715%0.145CC..EExtended strand (participates in β ladder)trans-97.8128.8173171.356.4000110L195 F210 Q211 I213 D260L195-N197 HydrophobicContact CD2-CB 4.45Å; L195-N197 HydrophobicContact CG-CB 4.39Å; N197-F210 CarbonylContact O-C 3.37Å; N197-F210 WeakPolarHBondContact O-CA 3.06Å; N197-Q211 HydrophobicContact CB-CB 4.34Å; N197-Q211 PolarHBondContact N-O 3.48Å; N197-Q211 PolarHBondContact ND2-NE2 3.44Å; N197-Q211 PolarHBondContact O-N 3.23Å; N197-I213 HydrophobicContact CB-CD1 4.1Å; N197-D260 PolarHBondContact OD1-OD2 2.92Å
198A87.4Confident87.7Confident16 Ų1628.9 Ų28.913%0.13215%0.145CC..EExtended strand (participates in β ladder)trans-118.8132.3176.900000111.8Y200 L209 F210 D260 C261A198-Y200 HydrophobicContact CB-CE2 3.85Å; A198-L209 WeakPolarHBondContact CA-O 3.32Å; A198-F210 HydrophobicContact CB-CD1 3.66Å; A198-F210 HydrophobicContact CB-CE1 3.63Å; A198-D260 PolarHBondContact N-O 3.18Å; A198-C261 HydrophobicContact CB-CB 3.45Å; A198-C261 VanDerWaalsContact CB-CB 3.45Å
199A85.1Confident87.6Confident12 Ų1222.5 Ų22.510%0.09912%0.121CC..EExtended strand (participates in β ladder)trans-117.7109.7167.100000108.6V202 S208 L209 K370A199-V202 HydrophobicContact CB-CG1 3.69Å; A199-V202 WeakPolarHBondContact O-CG1 3.34Å; A199-S208 CarbonylContact O-C 3.57Å; A199-S208 WeakPolarHBondContact O-CA 3.14Å; A199-L209 HydrophobicContact CB-CB 4.45Å; A199-L209 PolarHBondContact N-O 3.14Å; A199-L209 PolarHBondContact O-N 3.27Å; A199-K370 HydrophobicContact CB-CD 4.09Å; A199-K370 HydrophobicContact CB-CG 4.42Å
200Y83.5Confident87.5Confident79 Ų7919 Ų1931%0.3110%0.104SC..  trans-84.1153.2176.5-56.2-80.4000111.1A198 V202 S208 F210 A262A198-Y200 HydrophobicContact CB-CE2 3.85Å; Y200-V202 VanDerWaalsContact C-N 3.29Å; Y200-V202 PolarHBondContact O-N 3.43Å; Y200-S208 WeakPolarHBondContact CD1-OG 3.41Å; Y200-F210 HydrophobicContact CE1-CE1 4.32Å; Y200-F210 HydrophobicContact CE1-CZ 4.12Å; Y200-A262 PolarHBondContact OH-N 3.37Å
201D82.3Confident87.4Confident89 Ų8919.2 Ų19.248%0.47611%0.105SC..  trans48.848.1175.6-60.3-54000113N203 G206 F207 Q232D201-N203 PolarHBondContact O-N 2.84Å; D201-N203 VanDerWaalsContact O-N 3.1Å; D201-G206 WeakPolarHBondContact OD1-CA 3.2Å; D201-F207 CarbonylContact C-O 3.54Å; D201-F207 WeakPolarHBondContact CA-O 3.3Å; D201-F207 PolarHBondContact N-O 2.86Å; D201-F207 VanDerWaalsContact N-O 3.12Å; D201-Q232 PolarHBondContact OD1-NE2 2.82Å
202V83.4Confident87.3Confident6 Ų618.6 Ų18.64%0.03610%0.101CC..  trans-64.5-18.5-174.4-57.70000112.7A199 Y200 F207 L209 K370 L373 R374A199-V202 HydrophobicContact CB-CG1 3.69Å; A199-V202 WeakPolarHBondContact O-CG1 3.34Å; Y200-V202 VanDerWaalsContact C-N 3.29Å; Y200-V202 PolarHBondContact O-N 3.43Å; V202-F207 HydrophobicContact CG2-CB 4.04Å; V202-F207 WeakPolarHBondContact CG2-O 3.23Å; V202-F207 PolarHBondContact N-O 2.85Å; V202-L209 HydrophobicContact CG1-CB 3.9Å; V202-K370 HydrophobicContact CB-CG 4.47Å; V202-K370 HydrophobicContact CG1-CG 4.22Å; V202-L373 HydrophobicContact CG2-CB 4.14Å; V202-L373 HydrophobicContact CG2-CD1 4.16Å; V202-R374 VanDerWaalsContact O-CA 3.23Å; V202-R374 WeakPolarHBondContact O-CA 3.46Å
203N81.9Confident87.2Confident5 Ų517.6 Ų17.63%0.02710%0.097CC..SBendtrans-144.7178.7178.266.814.7000112.4D201 K205 G206 F207 L373 R374 L376D201-N203 PolarHBondContact O-N 2.84Å; D201-N203 VanDerWaalsContact O-N 3.1Å; N203-K205 PolarHBondContact O-N 2.78Å; N203-K205 PolarHBondContact OD1-N 2.71Å; N203-G206 PolarHBondContact O-N 3.35Å; N203-G206 VanDerWaalsContact O-N 3.07Å; N203-G206 PolarHBondContact OD1-N 3.38Å; N203-F207 WeakPolarHBondContact ND2-CD2 3.47Å; N203-F207 WeakPolarHBondContact OD1-CD2 3.41Å; N203-F207 PolarHBondContact OD1-N 2.81Å; N203-L373 WeakPolarHBondContact CB-O 3.41Å; N203-R374 WeakPolarHBondContact CA-O 3.44Å; N203-R374 WeakPolarHBondContact CB-O 3.36Å; N203-L376 WeakPolarHBondContact CB-O 3.5Å; N203-L376 PolarHBondContact ND2-O 2.87Å
204S77.4Confident87.2Confident60 Ų6017.6 Ų17.642%0.4210%0.097SC..THydrogen-bonded Turntrans-62.4-9.7-179.563.70000115.4
205K75.8Confident87Confident58 Ų5818 Ų1825%0.25210%0.099SC..THydrogen-bonded Turntrans-99.1-2.2178-55-60.7-172.5-169.80113.3S138 I139 N203 F207 T377S138-K205 VanDerWaalsContact OG-CD 3.29Å; S138-K205 WeakPolarHBondContact OG-CD 3.41Å; S138-K205 WeakPolarHBondContact OG-CE 3.48Å; S138-K205 PolarHBondContact OG-NZ 3.05Å; I139-K205 HydrophobicContact CD1-CB 3.71Å; I139-K205 HydrophobicContact CG1-CB 4.06Å; I139-K205 HydrophobicContact CG1-CG 4.47Å; N203-K205 PolarHBondContact O-N 2.78Å; N203-K205 PolarHBondContact OD1-N 2.71Å; K205-F207 HydrophobicContact CB-CD2 3.85Å; K205-F207 HydrophobicContact CB-CE2 3.9Å; K205-F207 HydrophobicContact CG-CE2 4.43Å; K205-T377 HydrophobicContact CD-CG2 4.45Å; K205-T377 HydrophobicContact CG-CG2 4.11Å
206G77.8Confident86.8Confident11 Ų1117.9 Ų17.911%0.11310%0.098CC..  trans79.722.5176.600000114.4D201 N203D201-G206 WeakPolarHBondContact OD1-CA 3.2Å; N203-G206 PolarHBondContact O-N 3.35Å; N203-G206 VanDerWaalsContact O-N 3.07Å; N203-G206 PolarHBondContact OD1-N 3.38Å
207F80.7Confident86.6Confident5 Ų517.9 Ų17.92%0.02210%0.098CC..  trans-64.4143.5175.4-76.9-82.9000111.3I139 D201 V202 N203 K205 V228 S229 T230 V379 I382I139-F207 HydrophobicContact CD1-CD1 4.21Å; I139-F207 HydrophobicContact CD1-CD2 3.73Å; I139-F207 HydrophobicContact CD1-CE1 3.71Å; I139-F207 HydrophobicContact CD1-CE2 3.22Å; I139-F207 HydrophobicContact CD1-CG 4.26Å; I139-F207 HydrophobicContact CD1-CZ 3.2Å; I139-F207 HydrophobicContact CG1-CE2 3.84Å; I139-F207 HydrophobicContact CG1-CZ 3.75Å; I139-F207 HydrophobicContact CG2-CZ 4.21Å; D201-F207 CarbonylContact C-O 3.54Å; D201-F207 WeakPolarHBondContact CA-O 3.3Å; D201-F207 PolarHBondContact N-O 2.86Å; D201-F207 VanDerWaalsContact N-O 3.12Å; V202-F207 HydrophobicContact CG2-CB 4.04Å; V202-F207 WeakPolarHBondContact CG2-O 3.23Å; V202-F207 PolarHBondContact N-O 2.85Å; N203-F207 WeakPolarHBondContact ND2-CD2 3.47Å; N203-F207 WeakPolarHBondContact OD1-CD2 3.41Å; N203-F207 PolarHBondContact OD1-N 2.81Å; K205-F207 HydrophobicContact CB-CD2 3.85Å; K205-F207 HydrophobicContact CB-CE2 3.9Å; K205-F207 HydrophobicContact CG-CE2 4.43Å; F207-V228 HydrophobicContact CB-CG1 4.21Å; F207-V228 HydrophobicContact CD1-CG1 3.38Å; F207-V228 HydrophobicContact CE1-CG1 3.99Å; F207-V228 HydrophobicContact CG-CG1 4.08Å; F207-S229 WeakPolarHBondContact CA-O 3.39Å; F207-T230 HydrophobicContact CD1-CG2 3.62Å; F207-T230 HydrophobicContact CE1-CG2 3.33Å; F207-T230 HydrophobicContact CZ-CG2 4.16Å; F207-V379 HydrophobicContact CE1-CG2 4.3Å; F207-V379 HydrophobicContact CZ-CG2 3.76Å; F207-I382 HydrophobicContact CD2-CD1 4.02Å; F207-I382 HydrophobicContact CE2-CD1 3.83Å; F207-I382 HydrophobicContact CZ-CD1 4.28Å
208S86.1Confident86.6Confident1 Ų119.1 Ų19.11%0.00710%0.104CC..EExtended strand (participates in β ladder)trans-105.9135.1169.9-58.60000109.4A199 Y200 V228 S229A199-S208 CarbonylContact O-C 3.57Å; A199-S208 WeakPolarHBondContact O-CA 3.14Å; Y200-S208 WeakPolarHBondContact CD1-OG 3.41Å; S208-V228 WeakPolarHBondContact O-CA 3.42Å; S208-S229 PolarHBondContact N-O 2.96Å; S208-S229 PolarHBondContact O-N 2.97Å
209L88.9Confident86.6Confident1 Ų119.3 Ų19.31%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-107.9124.8174174.569.2000109.4A198 A199 V202 Q211 Y226 S227 V228 L369 L373 I386A198-L209 WeakPolarHBondContact CA-O 3.32Å; A199-L209 HydrophobicContact CB-CB 4.45Å; A199-L209 PolarHBondContact N-O 3.14Å; A199-L209 PolarHBondContact O-N 3.27Å; V202-L209 HydrophobicContact CG1-CB 3.9Å; L209-Q211 HydrophobicContact CD2-CG 4.45Å; L209-Q211 HydrophobicContact CG-CG 4.29Å; L209-Y226 HydrophobicContact CD1-CD1 4.43Å; L209-S227 CarbonylContact C-O 3.52Å; L209-S227 WeakPolarHBondContact CA-O 3.05Å; L209-V228 HydrophobicContact CD1-CG2 4.07Å; L209-L369 HydrophobicContact CD2-CD2 3.78Å; L209-L369 HydrophobicContact CD2-CG 4.02Å; L209-L373 HydrophobicContact CD2-CD1 4.01Å; L209-I386 HydrophobicContact CD1-CD1 3.94Å
210F90.6Very high86.7Confident7 Ų719.9 Ų19.93%0.03111%0.11CC..EExtended strand (participates in β ladder)trans-110.8141.3171.5-57.5-89000110.3L196 N197 A198 Y200 Y226 S227 E236 L240L196-F210 HydrophobicContact CD1-CB 4.13Å; L196-F210 HydrophobicContact CD1-CD1 4.09Å; N197-F210 CarbonylContact O-C 3.37Å; N197-F210 WeakPolarHBondContact O-CA 3.06Å; A198-F210 HydrophobicContact CB-CD1 3.66Å; A198-F210 HydrophobicContact CB-CE1 3.63Å; Y200-F210 HydrophobicContact CE1-CE1 4.32Å; Y200-F210 HydrophobicContact CE1-CZ 4.12Å; F210-Y226 CarbonylContact O-C 3.59Å; F210-Y226 WeakPolarHBondContact O-CA 3.37Å; F210-S227 PolarHBondContact N-O 3.35Å; F210-S227 PolarHBondContact O-N 3.27Å; F210-E236 HydrophobicContact CE2-CG 4.19Å; F210-E236 WeakPolarHBondContact CE2-OE1 3.47Å; F210-E236 VanDerWaalsContact CZ-CD 3.43Å; F210-E236 HydrophobicContact CZ-CG 4.18Å; F210-E236 WeakPolarHBondContact CZ-OE1 3.37Å; F210-E236 WeakPolarHBondContact CZ-OE2 3.45Å; F210-L240 HydrophobicContact CB-CD1 4.15Å; F210-L240 HydrophobicContact CB-CD2 3.76Å; F210-L240 HydrophobicContact CD1-CD2 3.64Å; F210-L240 HydrophobicContact CD2-CD2 4.19Å; F210-L240 HydrophobicContact CE1-CD2 4.29Å; F210-L240 HydrophobicContact CG-CD1 4.46Å; F210-L240 HydrophobicContact CG-CD2 3.58Å
211Q92.7Very high86.9Confident9 Ų917.9 Ų17.94%0.04211%0.107CC..EExtended strand (participates in β ladder)trans-131.5125.6177.3-63.5177.971.600108.7N197 L209 I213 M225 Y226N197-Q211 HydrophobicContact CB-CB 4.34Å; N197-Q211 PolarHBondContact N-O 3.48Å; N197-Q211 PolarHBondContact ND2-NE2 3.44Å; N197-Q211 PolarHBondContact O-N 3.23Å; L209-Q211 HydrophobicContact CD2-CG 4.45Å; L209-Q211 HydrophobicContact CG-CG 4.29Å; Q211-I213 HydrophobicContact CB-CD1 4.03Å; Q211-I213 HydrophobicContact CB-CG1 4.04Å; Q211-M225 WeakPolarHBondContact CA-O 3.36Å; Q211-Y226 HydrophobicContact CG-CD1 3.67Å; Q211-Y226 HydrophobicContact CG-CE1 3.82Å
212F94.6Very high87.3Confident0 Ų014.5 Ų14.50%09%0.087CC..EExtended strand (participates in β ladder)trans-92.6130.5164.9-73.1-110.9000107.8V194 L195 L196 P223 I224 M225 L240 L241 F244 F257V194-F212 HydrophobicContact CG1-CD1 3.78Å; L195-F212 CarbonylContact O-C 3.57Å; L195-F212 WeakPolarHBondContact O-CA 3.19Å; L196-F212 HydrophobicContact CD1-CD2 4.02Å; L196-F212 HydrophobicContact CD1-CE2 3.61Å; L196-F212 HydrophobicContact CD1-CZ 3.9Å; F212-P223 CarbonylContact O-C 3.59Å; F212-P223 WeakPolarHBondContact O-CA 3.44Å; F212-I224 HydrophobicContact CB-CD1 4.14Å; F212-I224 HydrophobicContact CB-CG1 3.79Å; F212-I224 VanDerWaalsContact O-CG1 3.24Å; F212-I224 WeakPolarHBondContact O-CG1 3.36Å; F212-I224 PolarHBondContact O-N 3.23Å; F212-M225 HydrophobicContact CB-CB 4.1Å; F212-M225 HydrophobicContact CD2-CB 4.45Å; F212-M225 HydrophobicContact CD2-CE 3.24Å; F212-M225 HydrophobicContact CE2-CE 3.25Å; F212-M225 HydrophobicContact CG-CE 4Å; F212-M225 HydrophobicContact CZ-CE 4.03Å; F212-M225 PolarHBondContact N-O 3.4Å; F212-M225 PolarHBondContact O-N 3.45Å; F212-L240 HydrophobicContact CE2-CD1 3.87Å; F212-L240 HydrophobicContact CE2-CD2 3.87Å; F212-L240 HydrophobicContact CE2-CG 3.67Å; F212-L240 HydrophobicContact CZ-CD2 4.22Å; F212-L240 HydrophobicContact CZ-CG 4Å; F212-L241 HydrophobicContact CE1-CD2 4.12Å; F212-L241 HydrophobicContact CZ-CD2 4Å; F212-F244 HydrophobicContact CB-CD2 4.2Å; F212-F244 HydrophobicContact CB-CE2 4.02Å; F212-F244 HydrophobicContact CD1-CD1 4.38Å; F212-F244 AromaticContact CD1-CD2 3.41Å; F212-F244 HydrophobicContact CD1-CD2 3.41Å; F212-F244 VanDerWaalsContact CD1-CD2 3.41Å; F212-F244 HydrophobicContact CD1-CE1 4.47Å; F212-F244 AromaticContact CD1-CE2 3.52Å; F212-F244 HydrophobicContact CD1-CE2 3.52Å; F212-F244 AromaticContact CD1-CG 3.86Å; F212-F244 HydrophobicContact CD1-CG 3.86Å; F212-F244 HydrophobicContact CD1-CZ 4.06Å; F212-F244 HydrophobicContact CD2-CD2 4.31Å; F212-F244 HydrophobicContact CE1-CB 4.08Å; F212-F244 HydrophobicContact CE1-CD1 4.15Å; F212-F244 AromaticContact CE1-CD2 3.76Å; F212-F244 HydrophobicContact CE1-CD2 3.76Å; F212-F244 HydrophobicContact CE1-CE2 4.21Å; F212-F244 AromaticContact CE1-CG 3.71Å; F212-F244 HydrophobicContact CE1-CG 3.71Å; F212-F244 AromaticContact CG-CD2 3.71Å; F212-F244 HydrophobicContact CG-CD2 3.71Å; F212-F244 AromaticContact CG-CE2 3.91Å; F212-F244 HydrophobicContact CG-CE2 3.91Å; F212-F244 HydrophobicContact CG-CG 4.47Å; F212-F244 HydrophobicContact CZ-CB 4.08Å; F212-F244 HydrophobicContact CZ-CD2 4.34Å; F212-F244 HydrophobicContact CZ-CG 4.22Å; F212-F257 HydrophobicContact CD1-CE2 4.41Å; F212-F257 AromaticContact CE1-CE2 3.95Å; F212-F257 HydrophobicContact CE1-CE2 3.95Å; F212-F257 AromaticContact CE1-CZ 3.92Å; F212-F257 HydrophobicContact CE1-CZ 3.92Å
213I94.3Very high87.7Confident2 Ų215.4 Ų15.41%0.019%0.093CC..EExtended strand (participates in β ladder)trans-134.6134.6-170.4-56175.9000108L195 N197 Q211 P221 R222 P223 V365L195-I213 HydrophobicContact CB-CB 4.22Å; L195-I213 HydrophobicContact CD2-CB 4.43Å; L195-I213 HydrophobicContact CD2-CD1 4.28Å; L195-I213 PolarHBondContact N-O 3.26Å; L195-I213 PolarHBondContact O-N 2.99Å; N197-I213 HydrophobicContact CB-CD1 4.1Å; Q211-I213 HydrophobicContact CB-CD1 4.03Å; Q211-I213 HydrophobicContact CB-CG1 4.04Å; I213-P221 HydrophobicContact CG2-CB 3.72Å; I213-R222 CarbonylContact C-O 3.53Å; I213-R222 VanDerWaalsContact CA-O 3.3Å; I213-R222 WeakPolarHBondContact CA-O 3.37Å; I213-P223 HydrophobicContact CG1-CB 4.43Å; I213-P223 HydrophobicContact CG1-CG 4.49Å; I213-V365 HydrophobicContact CD1-CB 4Å; I213-V365 HydrophobicContact CD1-CG1 3.4Å; I213-V365 VanDerWaalsContact CD1-CG1 3.4Å; I213-V365 HydrophobicContact CD1-CG2 3.37Å
214V94.3Very high88.3Confident2 Ų215.2 Ų15.21%0.0129%0.092CC..EExtended strand (participates in β ladder)trans-113.1166.3170-60.20000110.1V186 Y187 V194 P221 R222 I224V186-V214 HydrophobicContact CG1-CG2 3.99Å; Y187-V214 HydrophobicContact CD2-CG1 3.92Å; V194-V214 HydrophobicContact CG2-CG1 4.24Å; V214-P221 CarbonylContact O-C 3.56Å; V214-P221 WeakPolarHBondContact O-CA 3.2Å; V214-R222 HydrophobicContact CG2-CB 4.08Å; V214-R222 PolarHBondContact N-O 3.46Å; V214-R222 PolarHBondContact O-N 2.98Å; V214-I224 HydrophobicContact CG1-CD1 3.82Å; V214-I224 HydrophobicContact CG1-CG1 4.41Å; V214-I224 HydrophobicContact CG1-CG2 4.31Å; V214-I224 HydrophobicContact CG2-CG2 3.72Å
215T91.3Very high89Confident7 Ų712.3 Ų12.34%0.0437%0.072CC..EExtended strand (participates in β ladder)trans-104122.4170.7-56.50000108.9C220 L354 R521T215-C220 WeakPolarHBondContact CA-O 3.49Å; T215-L354 HydrophobicContact CG2-CD1 4.23Å; T215-R521 PolarHBondContact O-NH2 3.42Å
216D90.6Very high89.9Confident0 Ų010.1 Ų10.10%06%0.062CC..  trans-74.8-174.7179.571.211.7000113Y190 F218 G219 C220 R222 Y396 R521 L530Y190-D216 HydrophobicContact CD2-CB 4.16Å; Y190-D216 HydrophobicContact CE2-CB 4.14Å; Y190-D216 HydrophobicContact CG-CB 4.48Å; D216-F218 PolarHBondContact O-N 3.42Å; D216-F218 WeakPolarHBondContact OD1-CA 3.39Å; D216-F218 WeakPolarHBondContact OD1-CB 3.1Å; D216-F218 PolarHBondContact OD1-N 3.22Å; D216-G219 PolarHBondContact O-N 3.03Å; D216-G219 PolarHBondContact OD1-N 3.07Å; D216-C220 PolarHBondContact N-O 3.28Å; D216-C220 WeakPolarHBondContact OD1-CB 2.93Å; D216-C220 PolarHBondContact OD1-N 3.28Å; D216-R222 HydrophobicContact CB-CG 3.9Å; D216-R222 IonicContact OD2-CZ 3.6Å; D216-R222 VanDerWaalsContact OD2-CZ 3.26Å; D216-R222 IonicContact OD2-NE 2.89Å; D216-R222 PolarHBondContact OD2-NE 3.19Å; D216-R222 IonicContact OD2-NH2 3.85Å; D216-R222 PolarHBondContact OD2-NH2 3.14Å; D216-Y396 WeakPolarHBondContact OD2-CE1 3.41Å; D216-Y396 PolarHBondContact OD2-OH 3.36Å; D216-R521 PolarHBondContact O-NH1 3.4Å; D216-R521 VanDerWaalsContact O-NH1 3.12Å; D216-L530 HydrophobicContact CB-CD1 4.13Å
217G90.8Very high90.5Very high0 Ų09.6 Ų9.60%06%0.057CC..THydrogen-bonded Turntrans-71.7-4.5177.700000114.8T442 R521 N527G217-T442 WeakPolarHBondContact O-CB 3.28Å; G217-T442 VanDerWaalsContact O-CG2 3.32Å; G217-T442 WeakPolarHBondContact O-CG2 3.38Å; G217-T442 PolarHBondContact O-OG1 3.16Å; G217-R521 WeakPolarHBondContact CA-O 3.44Å; G217-N527 WeakPolarHBondContact CA-OD1 3.39Å
218F89Confident90.9Very high31 Ų319.9 Ų9.914%0.1366%0.059CC..THydrogen-bonded Turntrans-104.211.1172.7-64.4-83.5000112.4D216 C220 Y396 T442 Y444 N527 L530 S531D216-F218 PolarHBondContact O-N 3.42Å; D216-F218 WeakPolarHBondContact OD1-CA 3.39Å; D216-F218 WeakPolarHBondContact OD1-CB 3.1Å; D216-F218 PolarHBondContact OD1-N 3.22Å; F218-C220 PolarHBondContact O-N 2.82Å; F218-Y396 HydrophobicContact CB-CD1 3.82Å; F218-Y396 HydrophobicContact CB-CE1 3.82Å; F218-Y396 HydrophobicContact CD1-CD1 4.36Å; F218-Y396 AromaticContact CD2-CD1 3.58Å; F218-Y396 HydrophobicContact CD2-CD1 3.58Å; F218-Y396 AromaticContact CD2-CE1 3.21Å; F218-Y396 HydrophobicContact CD2-CE1 3.21Å; F218-Y396 HydrophobicContact CE2-CD1 4.28Å; F218-Y396 AromaticContact CE2-CE1 4Å; F218-Y396 HydrophobicContact CE2-CE1 4Å; F218-Y396 AromaticContact CG-CD1 3.64Å; F218-Y396 HydrophobicContact CG-CD1 3.64Å; F218-Y396 AromaticContact CG-CE1 3.68Å; F218-Y396 HydrophobicContact CG-CE1 3.68Å; F218-T442 HydrophobicContact CD1-CG2 3.89Å; F218-T442 HydrophobicContact CE1-CG2 3.46Å; F218-T442 VanDerWaalsContact CE1-CG2 3.46Å; F218-T442 HydrophobicContact CE2-CG2 4.37Å; F218-T442 HydrophobicContact CG-CG2 4.44Å; F218-T442 HydrophobicContact CZ-CG2 3.68Å; F218-Y444 WeakPolarHBondContact O-CB 3.4Å; F218-N527 HydrophobicContact CE2-CB 3.61Å; F218-N527 HydrophobicContact CZ-CB 3.72Å; F218-L530 HydrophobicContact CE2-CB 4.1Å; F218-S531 WeakPolarHBondContact CE2-OG 3.35Å; F218-S531 WeakPolarHBondContact CZ-OG 3.48Å
219G87.7Confident90.9Very high20 Ų209.9 Ų9.921%0.2066%0.059CC..SBendtrans72.312.7-178.100000113.3D216D216-G219 PolarHBondContact O-N 3.03Å; D216-G219 PolarHBondContact OD1-N 3.07Å
220C86.6Confident90.2Very high24 Ų2410.8 Ų10.816%0.1627%0.065CC..  trans-93.7137.5-177.1-67.50000111.2T215 D216 F218T215-C220 WeakPolarHBondContact CA-O 3.49Å; D216-C220 PolarHBondContact N-O 3.28Å; D216-C220 WeakPolarHBondContact OD1-CB 2.93Å; D216-C220 PolarHBondContact OD1-N 3.28Å; F218-C220 PolarHBondContact O-N 2.82Å
221P89.1Confident89.1Confident37 Ų3712.4 Ų12.424%0.248%0.075CC..EExtended strand (participates in β ladder)trans-74129.5175.528.4-31.1000111I213 V214 G364I213-P221 HydrophobicContact CG2-CB 3.72Å; V214-P221 CarbonylContact O-C 3.56Å; V214-P221 WeakPolarHBondContact O-CA 3.2Å; P221-G364 VanDerWaalsContact CG-C 3.45Å; P221-G364 WeakPolarHBondContact CG-O 3.38Å
222R89.7Confident87.6Confident18 Ų1816.9 Ų16.97%0.06810%0.096CC..EExtended strand (participates in β ladder)trans-122108.8-177.5-58.9-50.6-178.5-161.3-6.4110.1V186 I213 V214 D216 I224 W394 Y396V186-R222 HydrophobicContact CG1-CB 4.24Å; V186-R222 HydrophobicContact CG1-CG 4.43Å; I213-R222 CarbonylContact C-O 3.53Å; I213-R222 VanDerWaalsContact CA-O 3.3Å; I213-R222 WeakPolarHBondContact CA-O 3.37Å; V214-R222 HydrophobicContact CG2-CB 4.08Å; V214-R222 PolarHBondContact N-O 3.46Å; V214-R222 PolarHBondContact O-N 2.98Å; D216-R222 HydrophobicContact CB-CG 3.9Å; D216-R222 IonicContact OD2-CZ 3.6Å; D216-R222 VanDerWaalsContact OD2-CZ 3.26Å; D216-R222 IonicContact OD2-NE 2.89Å; D216-R222 PolarHBondContact OD2-NE 3.19Å; D216-R222 IonicContact OD2-NH2 3.85Å; D216-R222 PolarHBondContact OD2-NH2 3.14Å; R222-I224 PolarHBondContact O-N 2.93Å; R222-W394 HydrophobicContact CB-CH2 3.72Å; R222-W394 HydrophobicContact CB-CZ2 3.83Å; R222-W394 HydrophobicContact CB-CZ3 4.19Å; R222-W394 VanDerWaalsContact CD-CD2 3.42Å; R222-W394 HydrophobicContact CG-CD2 4.3Å; R222-W394 HydrophobicContact CG-CE3 4.02Å; R222-W394 HydrophobicContact CG-CH2 3.85Å; R222-W394 HydrophobicContact CG-CZ2 4.15Å; R222-W394 HydrophobicContact CG-CZ3 3.77Å; R222-Y396 PolarHBondContact NH2-OH 3.21Å
223P92Very high86Confident25 Ų2523 Ų2316%0.16213%0.125CC..EExtended strand (participates in β ladder)trans-61.5125.4168.8-20.733.1000109.7Q183 F212 I213 Y226Q183-P223 PolarHBondContact NE2-O 3.39Å; F212-P223 CarbonylContact O-C 3.59Å; F212-P223 WeakPolarHBondContact O-CA 3.44Å; I213-P223 HydrophobicContact CG1-CB 4.43Å; I213-P223 HydrophobicContact CG1-CG 4.49Å; P223-Y226 HydrophobicContact CB-CE1 4.13Å; P223-Y226 HydrophobicContact CB-CE2 3.96Å; P223-Y226 VanDerWaalsContact CB-CZ 3.49Å; P223-Y226 WeakPolarHBondContact CB-OH 3.4Å; P223-Y226 WeakPolarHBondContact CG-OH 3.46Å
224I93.5Very high84.3Confident1 Ų128.8 Ų28.81%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-109.9-20.7-179.256162000112.8A179 Q183 V186 Y187 F212 V214 R222 F244A179-I224 VanDerWaalsContact CB-O 3.3Å; A179-I224 WeakPolarHBondContact CB-O 3.49Å; Q183-I224 WeakPolarHBondContact CB-O 3.33Å; Q183-I224 WeakPolarHBondContact O-CG2 3.34Å; V186-I224 HydrophobicContact CG1-CG2 4.45Å; Y187-I224 HydrophobicContact CD2-CD1 3.55Å; Y187-I224 HydrophobicContact CG-CD1 3.9Å; F212-I224 HydrophobicContact CB-CD1 4.14Å; F212-I224 HydrophobicContact CB-CG1 3.79Å; F212-I224 VanDerWaalsContact O-CG1 3.24Å; F212-I224 WeakPolarHBondContact O-CG1 3.36Å; F212-I224 PolarHBondContact O-N 3.23Å; V214-I224 HydrophobicContact CG1-CD1 3.82Å; V214-I224 HydrophobicContact CG1-CG1 4.41Å; V214-I224 HydrophobicContact CG1-CG2 4.31Å; V214-I224 HydrophobicContact CG2-CG2 3.72Å; R222-I224 PolarHBondContact O-N 2.93Å; I224-F244 HydrophobicContact CD1-CE2 3.62Å; I224-F244 HydrophobicContact CD1-CZ 4.1Å
225M93.5Very high83Confident0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-153.8141.2177.9-172.7178.681.300109.7T177 L178 A179 Q211 F212 L240 F244 I247T177-M225 HydrophobicContact CG2-CE 3.87Å; T177-M225 HydrophobicContact CG2-CG 3.55Å; T177-M225 HydrophobicContact CG2-SD 3.33Å; T177-M225 WeakPolarHBondContact CG2-SD 3.24Å; L178-M225 WeakPolarHBondContact O-CA 3.36Å; A179-M225 HydrophobicContact CB-CB 4.21Å; A179-M225 HydrophobicContact CB-CG 4.14Å; Q211-M225 WeakPolarHBondContact CA-O 3.36Å; F212-M225 HydrophobicContact CB-CB 4.1Å; F212-M225 HydrophobicContact CD2-CB 4.45Å; F212-M225 HydrophobicContact CD2-CE 3.24Å; F212-M225 HydrophobicContact CE2-CE 3.25Å; F212-M225 HydrophobicContact CG-CE 4Å; F212-M225 HydrophobicContact CZ-CE 4.03Å; F212-M225 PolarHBondContact N-O 3.4Å; F212-M225 PolarHBondContact O-N 3.45Å; M225-L240 HydrophobicContact CE-CD1 4.08Å; M225-F244 HydrophobicContact CE-CB 3.69Å; M225-F244 HydrophobicContact CE-CD2 3.86Å; M225-F244 HydrophobicContact CE-CG 4.27Å; M225-F244 HydrophobicContact SD-CB 4.19Å; M225-F244 HydrophobicContact SD-CD2 4.03Å; M225-I247 HydrophobicContact CG-CD1 4.43Å; M225-I247 HydrophobicContact SD-CD1 3.72Å
226Y93.4Very high82.2Confident11 Ų1134 Ų344%0.04317%0.173CC..EExtended strand (participates in β ladder)trans-116.6143.6172.6-63-90.2000109.4T177 L178 L209 F210 Q211 P223 L369 I386 A390T177-Y226 CarbonylContact C-O 3.52Å; T177-Y226 WeakPolarHBondContact CA-O 3.33Å; T177-Y226 WeakPolarHBondContact CG2-O 3.25Å; L178-Y226 PolarHBondContact N-O 3.31Å; L178-Y226 PolarHBondContact O-N 2.96Å; L209-Y226 HydrophobicContact CD1-CD1 4.43Å; F210-Y226 CarbonylContact O-C 3.59Å; F210-Y226 WeakPolarHBondContact O-CA 3.37Å; Q211-Y226 HydrophobicContact CG-CD1 3.67Å; Q211-Y226 HydrophobicContact CG-CE1 3.82Å; P223-Y226 HydrophobicContact CB-CE1 4.13Å; P223-Y226 HydrophobicContact CB-CE2 3.96Å; P223-Y226 VanDerWaalsContact CB-CZ 3.49Å; P223-Y226 WeakPolarHBondContact CB-OH 3.4Å; P223-Y226 WeakPolarHBondContact CG-OH 3.46Å; Y226-L369 HydrophobicContact CD1-CD2 3.89Å; Y226-L369 HydrophobicContact CE1-CD2 3.52Å; Y226-I386 VanDerWaalsContact CB-CG2 3.47Å; Y226-I386 HydrophobicContact CD1-CG2 4.07Å; Y226-I386 HydrophobicContact CD2-CG2 4.01Å; Y226-I386 HydrophobicContact CG-CG2 3.6Å; Y226-A390 HydrophobicContact CD2-CB 4.13Å; Y226-A390 HydrophobicContact CE2-CB 3.76Å
227S91.3Very high82Confident0 Ų034.9 Ų34.90%018%0.178CC..EExtended strand (participates in β ladder)trans-138.9135.9170.8-167.70000110.5Q175 I176 T177 L209 F210Q175-S227 VanDerWaalsContact CG-OG 3.25Å; Q175-S227 WeakPolarHBondContact CG-OG 3.41Å; Q175-S227 PolarHBondContact NE2-OG 2.84Å; I176-S227 WeakPolarHBondContact O-CA 3.42Å; I176-S227 PolarHBondContact O-OG 3.01Å; T177-S227 WeakPolarHBondContact OG1-CB 3.46Å; T177-S227 PolarHBondContact OG1-OG 3.4Å; L209-S227 CarbonylContact C-O 3.52Å; L209-S227 WeakPolarHBondContact CA-O 3.05Å; F210-S227 PolarHBondContact N-O 3.35Å; F210-S227 PolarHBondContact O-N 3.27Å
228V89.3Confident81.8Confident11 Ų1137.8 Ų37.87%0.06719%0.192CC..EExtended strand (participates in β ladder)trans-114129.6173.4179.50000108.1Q175 I176 F207 S208 L209 I382 M383 I386Q175-V228 CarbonylContact C-O 3.57Å; Q175-V228 VanDerWaalsContact CA-O 3.28Å; Q175-V228 WeakPolarHBondContact CA-O 3.37Å; I176-V228 PolarHBondContact N-O 3.14Å; I176-V228 PolarHBondContact O-N 3.32Å; F207-V228 HydrophobicContact CB-CG1 4.21Å; F207-V228 HydrophobicContact CD1-CG1 3.38Å; F207-V228 HydrophobicContact CE1-CG1 3.99Å; F207-V228 HydrophobicContact CG-CG1 4.08Å; S208-V228 WeakPolarHBondContact O-CA 3.42Å; L209-V228 HydrophobicContact CD1-CG2 4.07Å; V228-I382 HydrophobicContact CG1-CG2 4.38Å; V228-I382 HydrophobicContact CG2-CG2 4.02Å; V228-M383 HydrophobicContact CB-SD 4.44Å; V228-M383 HydrophobicContact CG2-SD 4.13Å; V228-I386 HydrophobicContact CG2-CD1 3.2Å
229S85.4Confident81.7Confident2 Ų238 Ų381%0.01419%0.194CC..EExtended strand (participates in β ladder)trans-132.7153-179.1167.50000111.5T174 F207 S208 V231 E236T174-S229 WeakPolarHBondContact O-CA 3.15Å; F207-S229 WeakPolarHBondContact CA-O 3.39Å; S208-S229 PolarHBondContact N-O 2.96Å; S208-S229 PolarHBondContact O-N 2.97Å; S229-V231 PolarHBondContact OG-N 3.49Å; S229-V231 VanDerWaalsContact OG-N 3.12Å; S229-E236 WeakPolarHBondContact CB-OE1 3.38Å; S229-E236 PolarHBondContact OG-OE1 2.95Å
230T75Confident81.8Confident20 Ų2037.1 Ų37.112%0.12318%0.184CC..SBendtrans-106.1-6.5176.955.40000113I139 T174 F207I139-T230 HydrophobicContact CD1-CG2 3.68Å; I139-T230 HydrophobicContact CG2-CG2 4.06Å; T174-T230 PolarHBondContact O-N 3.17Å; T174-T230 PolarHBondContact O-OG1 3.13Å; F207-T230 HydrophobicContact CD1-CG2 3.62Å; F207-T230 HydrophobicContact CE1-CG2 3.33Å; F207-T230 HydrophobicContact CZ-CG2 4.16Å
231V66.1Low82Confident41 Ų4136 Ų3625%0.24818%0.177CC..  trans-112.8106-169.3-178.60000109.4T174 S229 Q233 E236T174-V231 HydrophobicContact CG2-CG2 3.77Å; S229-V231 PolarHBondContact OG-N 3.49Å; S229-V231 VanDerWaalsContact OG-N 3.12Å; V231-Q233 HydrophobicContact CG1-CB 3.78Å; V231-Q233 HydrophobicContact CG1-CG 3.78Å; V231-Q233 PolarHBondContact O-N 3.18Å; V231-E236 VanDerWaalsContact O-OE2 3.05Å
232Q63.3Low82.1Confident103 Ų10338.3 Ų38.348%0.48119%0.187SC..  trans-82.442.6177.9-60.9-177.3-400112.9D201D201-Q232 PolarHBondContact OD1-NE2 2.82Å
233Q60.4Low82.1Confident128 Ų12838.7 Ų38.760%0.59819%0.19SC*.SBendtrans-113.6167.4-174.6-59.9-168.7-1.200112.6V231 E235 E236V231-Q233 HydrophobicContact CG1-CB 3.78Å; V231-Q233 HydrophobicContact CG1-CG 3.78Å; V231-Q233 PolarHBondContact O-N 3.18Å; Q233-E235 VanDerWaalsContact CB-OE2 3.25Å; Q233-E235 WeakPolarHBondContact CB-OE2 3.4Å; Q233-E235 PolarHBondContact O-N 3.2Å; Q233-E236 WeakPolarHBondContact O-CB 3.44Å; Q233-E236 PolarHBondContact O-N 3.41Å; Q233-E236 VanDerWaalsContact O-N 3.15Å
234K58.4Low82.1Confident123 Ų12337.5 Ų37.554%0.53518%0.182SC..THydrogen-bonded Turntrans-59.2-37.2-176.4-71.7179.7179.6176.60112.3E236 L237 V264 Q265K234-E236 PolarHBondContact O-N 3.34Å; K234-E236 VanDerWaalsContact O-N 3.16Å; K234-L237 PolarHBondContact O-N 3.03Å; K234-V264 HydrophobicContact CG-CG1 4.16Å; K234-Q265 PolarHBondContact O-OE1 3.24Å
235E65.8Low82Confident105 Ų10539.1 Ų39.149%0.49119%0.193SC..Hα-helixtrans-61.1-24.5-178.9-62.471.3-155.100112.2Q233 L237 Q238 I239Q233-E235 VanDerWaalsContact CB-OE2 3.25Å; Q233-E235 WeakPolarHBondContact CB-OE2 3.4Å; Q233-E235 PolarHBondContact O-N 3.2Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.44Å; E235-Q238 PolarHBondContact O-N 3.1Å; E235-I239 HydrophobicContact CB-CD1 4.43Å; E235-I239 WeakPolarHBondContact O-CD1 3.45Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.03Å; E235-I239 VanDerWaalsContact O-N 3.14Å
236E76.1Confident81.8Confident13 Ų1342.4 Ų42.46%0.06123%0.227CC..Hα-helixtrans-57.3-41.5179.6-173.1179.4-14500112.3F210 S229 V231 Q233 K234 I239 L240F210-E236 HydrophobicContact CE2-CG 4.19Å; F210-E236 WeakPolarHBondContact CE2-OE1 3.47Å; F210-E236 VanDerWaalsContact CZ-CD 3.43Å; F210-E236 HydrophobicContact CZ-CG 4.18Å; F210-E236 WeakPolarHBondContact CZ-OE1 3.37Å; F210-E236 WeakPolarHBondContact CZ-OE2 3.45Å; S229-E236 WeakPolarHBondContact CB-OE1 3.38Å; S229-E236 PolarHBondContact OG-OE1 2.95Å; V231-E236 VanDerWaalsContact O-OE2 3.05Å; Q233-E236 WeakPolarHBondContact O-CB 3.44Å; Q233-E236 PolarHBondContact O-N 3.41Å; Q233-E236 VanDerWaalsContact O-N 3.15Å; K234-E236 PolarHBondContact O-N 3.34Å; K234-E236 VanDerWaalsContact O-N 3.16Å; E236-I239 PolarHBondContact O-N 2.77Å; E236-L240 WeakPolarHBondContact O-CB 2.89Å; E236-L240 PolarHBondContact O-N 2.84Å
237L85.3Confident81.5Confident19 Ų1942.6 Ų42.610%0.09923%0.229CC..Hα-helixtrans-69.6-40.4-177.4-175.959000111.6L196 K234 E235 L240 L241 M259 V264 V268 V269L196-L237 HydrophobicContact CD2-CD1 3.67Å; K234-L237 PolarHBondContact O-N 3.03Å; E235-L237 VanDerWaalsContact C-N 3.32Å; E235-L237 PolarHBondContact O-N 3.44Å; L237-L240 HydrophobicContact CD1-CD2 4.45Å; L237-L240 PolarHBondContact O-N 3.32Å; L237-L241 HydrophobicContact CD1-CD1 4.37Å; L237-L241 HydrophobicContact CD1-CG 4.15Å; L237-L241 HydrophobicContact CG-CD1 4.21Å; L237-L241 HydrophobicContact CG-CG 4.4Å; L237-L241 WeakPolarHBondContact O-CB 3.27Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.35Å; L237-M259 HydrophobicContact CD2-CE 4.14Å; L237-V264 WeakPolarHBondContact CD2-O 3.43Å; L237-V268 HydrophobicContact CG-CG1 4.49Å; L237-V269 HydrophobicContact CD2-CG2 3.82Å
238Q86.8Confident81.4Confident61 Ų6143 Ų4329%0.28523%0.231SC..Hα-helixtrans-63.7-45.2177.3-177.366.965.600111E235 L241 N242 V268E235-Q238 PolarHBondContact O-N 3.1Å; Q238-L241 PolarHBondContact O-N 3.22Å; Q238-N242 PolarHBondContact NE2-OD1 3.31Å; Q238-N242 WeakPolarHBondContact O-CB 3.12Å; Q238-N242 PolarHBondContact O-N 3.15Å; Q238-N242 PolarHBondContact O-ND2 2.81Å; Q238-N242 PolarHBondContact O-OD1 2.8Å; Q238-V268 HydrophobicContact CB-CG1 4.09Å; Q238-V268 VanDerWaalsContact OE1-CG1 3.24Å
239I86.9Confident81.4Confident37 Ų3744.3 Ų44.319%0.1925%0.247CC..Hα-helixtrans-61.4-47.8177-68157.3000110E166 E235 E236 L241 N242 H243E166-I239 HydrophobicContact CB-CG2 3.85Å; E166-I239 HydrophobicContact CG-CD1 3.98Å; E166-I239 HydrophobicContact CG-CG1 4.39Å; E166-I239 HydrophobicContact CG-CG2 3.77Å; E235-I239 HydrophobicContact CB-CD1 4.43Å; E235-I239 WeakPolarHBondContact O-CD1 3.45Å; E235-I239 WeakPolarHBondContact O-CG1 3.44Å; E235-I239 PolarHBondContact O-N 3.03Å; E235-I239 VanDerWaalsContact O-N 3.14Å; E236-I239 PolarHBondContact O-N 2.77Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3.2Å; I239-N242 WeakPolarHBondContact O-CB 3.27Å; I239-N242 PolarHBondContact O-N 2.9Å; I239-N242 VanDerWaalsContact O-N 3.17Å; I239-H243 PolarHBondContact O-N 3.07Å
240L90.3Very high81.6Confident0 Ų048 Ų480%027%0.272CS..Hα-helixtrans-57.8-44.2178.2-178.365.7000112.6L196 F210 F212 M225 E236 L237 H243 F244L196-L240 HydrophobicContact CD1-CD2 3.9Å; L196-L240 HydrophobicContact CD2-CD2 4.29Å; F210-L240 HydrophobicContact CB-CD1 4.15Å; F210-L240 HydrophobicContact CB-CD2 3.76Å; F210-L240 HydrophobicContact CD1-CD2 3.64Å; F210-L240 HydrophobicContact CD2-CD2 4.19Å; F210-L240 HydrophobicContact CE1-CD2 4.29Å; F210-L240 HydrophobicContact CG-CD1 4.46Å; F210-L240 HydrophobicContact CG-CD2 3.58Å; F212-L240 HydrophobicContact CE2-CD1 3.87Å; F212-L240 HydrophobicContact CE2-CD2 3.87Å; F212-L240 HydrophobicContact CE2-CG 3.67Å; F212-L240 HydrophobicContact CZ-CD2 4.22Å; F212-L240 HydrophobicContact CZ-CG 4Å; M225-L240 HydrophobicContact CE-CD1 4.08Å; E236-L240 WeakPolarHBondContact O-CB 2.89Å; E236-L240 PolarHBondContact O-N 2.84Å; L237-L240 HydrophobicContact CD1-CD2 4.45Å; L237-L240 PolarHBondContact O-N 3.32Å; L240-H243 PolarHBondContact O-N 3.05Å; L240-F244 PolarHBondContact O-N 2.75Å
241L91.4Very high82.6Confident0 Ų047.9 Ų47.90%027%0.272CS..Hα-helixtrans-69.5-35.5177.1-70-179.6000112.5F212 L237 Q238 I239 F244 C245 F257 V268 V269 V272 F273F212-L241 HydrophobicContact CE1-CD2 4.12Å; F212-L241 HydrophobicContact CZ-CD2 4Å; L237-L241 HydrophobicContact CD1-CD1 4.37Å; L237-L241 HydrophobicContact CD1-CG 4.15Å; L237-L241 HydrophobicContact CG-CD1 4.21Å; L237-L241 HydrophobicContact CG-CG 4.4Å; L237-L241 WeakPolarHBondContact O-CB 3.27Å; L237-L241 VanDerWaalsContact O-CG 3.23Å; L237-L241 WeakPolarHBondContact O-CG 3.49Å; L237-L241 PolarHBondContact O-N 3.35Å; Q238-L241 PolarHBondContact O-N 3.22Å; I239-L241 VanDerWaalsContact C-N 3.34Å; I239-L241 PolarHBondContact O-N 3.2Å; L241-F244 WeakPolarHBondContact O-CB 3.27Å; L241-F244 PolarHBondContact O-N 2.9Å; L241-C245 PolarHBondContact O-N 2.86Å; L241-C245 PolarHBondContact O-SG 2.59Å; L241-F257 HydrophobicContact CD2-CZ 4.2Å; L241-V268 HydrophobicContact CD1-CG1 3.8Å; L241-V269 HydrophobicContact CD1-CG2 4.09Å; L241-V272 HydrophobicContact CB-CG1 4.35Å; L241-V272 HydrophobicContact CB-CG2 4.03Å; L241-V272 HydrophobicContact CD1-CB 4.16Å; L241-V272 HydrophobicContact CD1-CG2 3.87Å; L241-F273 HydrophobicContact CD2-CE2 3.84Å
242N89.3Confident83.9Confident86 Ų8649.7 Ų49.746%0.4628%0.28SS..Hα-helixtrans-64.4-44.4174.2-71.2-10.3000111Q238 I239 F244 C245 G246Q238-N242 PolarHBondContact NE2-OD1 3.31Å; Q238-N242 WeakPolarHBondContact O-CB 3.12Å; Q238-N242 PolarHBondContact O-N 3.15Å; Q238-N242 PolarHBondContact O-ND2 2.81Å; Q238-N242 PolarHBondContact O-OD1 2.8Å; I239-N242 WeakPolarHBondContact O-CB 3.27Å; I239-N242 PolarHBondContact O-N 2.9Å; I239-N242 VanDerWaalsContact O-N 3.17Å; N242-F244 VanDerWaalsContact C-N 3.33Å; N242-F244 PolarHBondContact O-N 2.78Å; N242-C245 PolarHBondContact O-N 3.3Å; N242-G246 PolarHBondContact O-N 3.39Å
243H89.9Confident85.4Confident26 Ų2649.6 Ų49.612%0.1228%0.283CS..Hα-helixtrans-58.9-46172.9-74.4-171.2000111.2E166 T177 I239 L240 C245 G246 I247E166-H243 IonicContact OE2-NE2 2.94Å; T177-H243 WeakPolarHBondContact CB-ND1 3.33Å; T177-H243 HydrophobicContact CG2-CB 4.1Å; T177-H243 PolarHBondContact OG1-ND1 3.01Å; I239-H243 PolarHBondContact O-N 3.07Å; L240-H243 PolarHBondContact O-N 3.05Å; H243-C245 PolarHBondContact O-N 3.1Å; H243-G246 PolarHBondContact O-N 3.18Å; H243-I247 WeakPolarHBondContact O-CB 3.38Å; H243-I247 VanDerWaalsContact O-CG1 3.24Å; H243-I247 WeakPolarHBondContact O-CG1 3.41Å; H243-I247 PolarHBondContact O-N 3.49Å
244F92.7Very high87.1Confident0 Ų043.6 Ų43.60%026%0.255CS..Hα-helixtrans-54.6-55.1176.7-179.5-104.9000111.4Y187 V194 F212 I224 M225 L240 L241 N242 G246 I247 V248 V251 F273Y187-F244 HydrophobicContact CD2-CZ 4.06Å; Y187-F244 HydrophobicContact CE2-CE1 4.45Å; Y187-F244 AromaticContact CE2-CZ 3.77Å; Y187-F244 HydrophobicContact CE2-CZ 3.77Å; V194-F244 HydrophobicContact CG1-CZ 4.45Å; F212-F244 HydrophobicContact CB-CD2 4.2Å; F212-F244 HydrophobicContact CB-CE2 4.02Å; F212-F244 HydrophobicContact CD1-CD1 4.38Å; F212-F244 AromaticContact CD1-CD2 3.41Å; F212-F244 HydrophobicContact CD1-CD2 3.41Å; F212-F244 VanDerWaalsContact CD1-CD2 3.41Å; F212-F244 HydrophobicContact CD1-CE1 4.47Å; F212-F244 AromaticContact CD1-CE2 3.52Å; F212-F244 HydrophobicContact CD1-CE2 3.52Å; F212-F244 AromaticContact CD1-CG 3.86Å; F212-F244 HydrophobicContact CD1-CG 3.86Å; F212-F244 HydrophobicContact CD1-CZ 4.06Å; F212-F244 HydrophobicContact CD2-CD2 4.31Å; F212-F244 HydrophobicContact CE1-CB 4.08Å; F212-F244 HydrophobicContact CE1-CD1 4.15Å; F212-F244 AromaticContact CE1-CD2 3.76Å; F212-F244 HydrophobicContact CE1-CD2 3.76Å; F212-F244 HydrophobicContact CE1-CE2 4.21Å; F212-F244 AromaticContact CE1-CG 3.71Å; F212-F244 HydrophobicContact CE1-CG 3.71Å; F212-F244 AromaticContact CG-CD2 3.71Å; F212-F244 HydrophobicContact CG-CD2 3.71Å; F212-F244 AromaticContact CG-CE2 3.91Å; F212-F244 HydrophobicContact CG-CE2 3.91Å; F212-F244 HydrophobicContact CG-CG 4.47Å; F212-F244 HydrophobicContact CZ-CB 4.08Å; F212-F244 HydrophobicContact CZ-CD2 4.34Å; F212-F244 HydrophobicContact CZ-CG 4.22Å; I224-F244 HydrophobicContact CD1-CE2 3.62Å; I224-F244 HydrophobicContact CD1-CZ 4.1Å; M225-F244 HydrophobicContact CE-CB 3.69Å; M225-F244 HydrophobicContact CE-CD2 3.86Å; M225-F244 HydrophobicContact CE-CG 4.27Å; M225-F244 HydrophobicContact SD-CB 4.19Å; M225-F244 HydrophobicContact SD-CD2 4.03Å; L240-F244 PolarHBondContact O-N 2.75Å; L241-F244 WeakPolarHBondContact O-CB 3.27Å; L241-F244 PolarHBondContact O-N 2.9Å; N242-F244 VanDerWaalsContact C-N 3.33Å; N242-F244 PolarHBondContact O-N 2.78Å; F244-G246 VanDerWaalsContact C-N 3.34Å; F244-G246 PolarHBondContact O-N 3.23Å; F244-I247 PolarHBondContact O-N 3.23Å; F244-I247 VanDerWaalsContact O-N 3.13Å; F244-V248 HydrophobicContact CD1-CG2 4.03Å; F244-V248 HydrophobicContact CD2-CG1 4.16Å; F244-V248 HydrophobicContact CE1-CG2 3.65Å; F244-V248 HydrophobicContact CE2-CG1 3.76Å; F244-V248 HydrophobicContact CE2-CG2 4.18Å; F244-V248 HydrophobicContact CG-CG2 4.46Å; F244-V248 HydrophobicContact CZ-CG1 4.07Å; F244-V248 HydrophobicContact CZ-CG2 3.75Å; F244-V248 WeakPolarHBondContact O-CG2 3.3Å; F244-V248 PolarHBondContact O-N 3.06Å; F244-V251 HydrophobicContact CD1-CG1 4.21Å; F244-V251 HydrophobicContact CE1-CG1 3.76Å; F244-F273 AromaticContact CD1-CZ 3.89Å; F244-F273 HydrophobicContact CD1-CZ 3.89Å; F244-F273 HydrophobicContact CE1-CE1 4.05Å; F244-F273 AromaticContact CE1-CZ 3.68Å; F244-F273 HydrophobicContact CE1-CZ 3.68Å
245C92Very high88.9Confident35 Ų3541.2 Ų41.224%0.23625%0.246CC..Hα-helixtrans-63.6-38.1-179-61.70000112.5L241 N242 H243 I247 G249 V272L241-C245 PolarHBondContact O-N 2.86Å; L241-C245 PolarHBondContact O-SG 2.59Å; N242-C245 PolarHBondContact O-N 3.3Å; H243-C245 PolarHBondContact O-N 3.1Å; C245-I247 VanDerWaalsContact C-N 3.26Å; C245-I247 PolarHBondContact O-N 2.78Å; C245-G249 VanDerWaalsContact O-CA 3.24Å; C245-G249 WeakPolarHBondContact O-CA 3.26Å; C245-G249 PolarHBondContact O-N 2.91Å; C245-V272 WeakPolarHBondContact SG-CG1 3.34Å
246G88Confident90.4Very high69 Ų6936.2 Ų36.271%0.71122%0.223SC*.Hα-helixtrans-62.9-32.9175.600000113N242 H243 F244N242-G246 PolarHBondContact O-N 3.39Å; H243-G246 PolarHBondContact O-N 3.18Å; F244-G246 VanDerWaalsContact C-N 3.34Å; F244-G246 PolarHBondContact O-N 3.23Å
247I88Confident91.3Very high16 Ų1635.6 Ų35.68%0.08222%0.22CC..Hα-helixtrans-82-50.3-179.8-72.1171.7000111.6Y162 T177 A179 V184 M225 H243 F244 C245Y162-I247 HydrophobicContact CD2-CG2 4.13Å; Y162-I247 HydrophobicContact CG-CG2 4.26Å; T177-I247 HydrophobicContact CG2-CD1 3.82Å; A179-I247 HydrophobicContact CB-CD1 4.45Å; A179-I247 HydrophobicContact CB-CG2 3.63Å; V184-I247 HydrophobicContact CG2-CG2 3.56Å; M225-I247 HydrophobicContact CG-CD1 4.43Å; M225-I247 HydrophobicContact SD-CD1 3.72Å; H243-I247 WeakPolarHBondContact O-CB 3.38Å; H243-I247 VanDerWaalsContact O-CG1 3.24Å; H243-I247 WeakPolarHBondContact O-CG1 3.41Å; H243-I247 PolarHBondContact O-N 3.49Å; F244-I247 PolarHBondContact O-N 3.23Å; F244-I247 VanDerWaalsContact O-N 3.13Å; C245-I247 VanDerWaalsContact C-N 3.26Å; C245-I247 PolarHBondContact O-N 2.78Å
248V88.5Confident91.7Very high7 Ų734.7 Ų34.74%0.04222%0.215CC..Hα-helixtrans-88.1-21.3-173-550000113.6Y187 F244 V251Y187-V248 HydrophobicContact CD1-CB 3.49Å; Y187-V248 VanDerWaalsContact CD1-CB 3.49Å; Y187-V248 HydrophobicContact CD1-CG1 3.87Å; Y187-V248 HydrophobicContact CD1-CG2 3.86Å; Y187-V248 HydrophobicContact CE1-CB 3.69Å; Y187-V248 HydrophobicContact CE1-CG1 4.39Å; Y187-V248 HydrophobicContact CE1-CG2 3.51Å; Y187-V248 HydrophobicContact CG-CB 4.22Å; Y187-V248 HydrophobicContact CG-CG1 4.09Å; F244-V248 HydrophobicContact CD1-CG2 4.03Å; F244-V248 HydrophobicContact CD2-CG1 4.16Å; F244-V248 HydrophobicContact CE1-CG2 3.65Å; F244-V248 HydrophobicContact CE2-CG1 3.76Å; F244-V248 HydrophobicContact CE2-CG2 4.18Å; F244-V248 HydrophobicContact CG-CG2 4.46Å; F244-V248 HydrophobicContact CZ-CG1 4.07Å; F244-V248 HydrophobicContact CZ-CG2 3.75Å; F244-V248 WeakPolarHBondContact O-CG2 3.3Å; F244-V248 PolarHBondContact O-N 3.06Å; V248-V251 HydrophobicContact CG2-CG1 4.06Å
249G89Confident91.9Very high40 Ų4031.9 Ų31.941%0.41220%0.202SC..  trans83.5-130-174.600000112.3C245C245-G249 VanDerWaalsContact O-CA 3.24Å; C245-G249 WeakPolarHBondContact O-CA 3.26Å; C245-G249 PolarHBondContact O-N 2.91Å
250S90.8Very high92Very high78 Ų7830.9 Ų30.955%0.54520%0.197SC..  trans-65136.2-177.6173.20000111.8D252S250-D252 PolarHBondContact OG-N 3.18Å; S250-D252 PolarHBondContact OG-OD2 3.26Å
251V94.8Very high91.5Very high19 Ų1931.2 Ų31.212%0.11520%0.199CC..  trans-110.611.9176-60.10000113Y187 F244 V248 N253 T254 V272 F273Y187-V251 WeakPolarHBondContact OH-CA 3.4Å; F244-V251 HydrophobicContact CD1-CG1 4.21Å; F244-V251 HydrophobicContact CE1-CG1 3.76Å; V248-V251 HydrophobicContact CG2-CG1 4.06Å; V251-N253 PolarHBondContact O-N 3.16Å; V251-N253 VanDerWaalsContact O-N 3.15Å; V251-T254 WeakPolarHBondContact O-CB 3.48Å; V251-T254 PolarHBondContact O-N 2.9Å; V251-V272 WeakPolarHBondContact CG2-O 3.43Å; V251-F273 HydrophobicContact CB-CD1 3.88Å; V251-F273 HydrophobicContact CB-CE1 3.61Å; V251-F273 HydrophobicContact CG1-CE1 3.8Å; V251-F273 HydrophobicContact CG1-CZ 4.36Å; V251-F273 HydrophobicContact CG2-CD1 3.94Å; V251-F273 HydrophobicContact CG2-CE1 4.04Å
252D94.3Very high90.7Very high78 Ų7833.3 Ų33.342%0.41722%0.216SC..THydrogen-bonded Turntrans-62.7-24.5-173.3-78.2-61.3000114.2S250 K275S250-D252 PolarHBondContact OG-N 3.18Å; S250-D252 PolarHBondContact OG-OD2 3.26Å; D252-K275 IonicContact OD1-NZ 3.59Å; D252-K275 PolarHBondContact OD1-NZ 3.24Å
253N94.7Very high89.5Confident102 Ų10231.6 Ų31.655%0.54521%0.207SC..THydrogen-bonded Turntrans-88.2-3.7179.7-64.6-33.2000113P191 V251 H255P191-N253 HydrophobicContact CB-CB 3.95Å; P191-N253 HydrophobicContact CG-CB 3.55Å; V251-N253 PolarHBondContact O-N 3.16Å; V251-N253 VanDerWaalsContact O-N 3.15Å; N253-H255 PolarHBondContact O-N 2.93Å
254T96.9Very high88.3Confident1 Ų133 Ų331%0.00622%0.217CC..  trans-76.9114.3173.2-62.90000109.7Y187 P191 V194 V251 F273 A276Y187-T254 PolarHBondContact OH-OG1 3.47Å; P191-T254 WeakPolarHBondContact O-CA 3.26Å; P191-T254 WeakPolarHBondContact O-CB 3.11Å; P191-T254 PolarHBondContact O-OG1 3.16Å; V194-T254 HydrophobicContact CB-CG2 4.22Å; V194-T254 HydrophobicContact CG2-CG2 3.77Å; V251-T254 WeakPolarHBondContact O-CB 3.48Å; V251-T254 PolarHBondContact O-N 2.9Å; T254-F273 HydrophobicContact CG2-CD1 3.97Å; T254-F273 HydrophobicContact CG2-CE1 4.1Å; T254-A276 HydrophobicContact CG2-CB 4.26Å; T254-A276 WeakPolarHBondContact O-CB 3.23Å
255H96.2Very high87.6Confident73 Ų7335.8 Ų35.834%0.33823%0.23SC..  trans-95.9-27.6-177.4-64.8-41.5000112.8E192 N253 A276 R277 I352E192-H255 PolarHBondContact O-N 3.07Å; N253-H255 PolarHBondContact O-N 2.93Å; H255-A276 CarbonylContact O-C 3.49Å; H255-A276 WeakPolarHBondContact O-CA 3.41Å; H255-R277 PolarHBondContact O-N 2.89Å; H255-I352 HydrophobicContact CB-CB 4.19Å; H255-I352 HydrophobicContact CB-CD1 3.47Å; H255-I352 VanDerWaalsContact CB-CD1 3.47Å; H255-I352 HydrophobicContact CB-CG1 4.41Å
256T96.5Very high87.3Confident1 Ų135.5 Ų35.51%0.00623%0.226CC..EExtended strand (participates in β ladder)trans-136.1131.9177.2-61.80000110.2E192 V193 V194 I258 R277 L279 I352E192-T256 PolarHBondContact O-N 3.39Å; V193-T256 WeakPolarHBondContact CA-O 3.34Å; V193-T256 HydrophobicContact CG1-CG2 4.45Å; V194-T256 PolarHBondContact N-O 3.13Å; T256-I258 HydrophobicContact CG2-CG1 3.99Å; T256-R277 CarbonylContact C-O 3.48Å; T256-R277 VanDerWaalsContact CA-O 3.3Å; T256-R277 WeakPolarHBondContact CA-O 3.5Å; T256-L279 HydrophobicContact CG2-CB 4.47Å; T256-L279 HydrophobicContact CG2-CD1 3.46Å; T256-L279 VanDerWaalsContact CG2-CD1 3.46Å; T256-L279 HydrophobicContact CG2-CG 3.82Å; T256-I352 WeakPolarHBondContact CB-O 3.38Å; T256-I352 PolarHBondContact OG1-N 3.29Å; T256-I352 PolarHBondContact OG1-O 3.15Å
257F95.1Very high87.3Confident0 Ų036.3 Ų36.30%021%0.214CC..EExtended strand (participates in β ladder)trans-116.8114.4173.1-166.5-85.6000109.3V194 L196 F212 L241 M259 V269 F273 A276 R277 I278 L279V194-F257 HydrophobicContact CB-CD2 3.95Å; V194-F257 HydrophobicContact CB-CE2 4.21Å; V194-F257 HydrophobicContact CG1-CD2 4Å; V194-F257 HydrophobicContact CG1-CE2 3.72Å; V194-F257 CarbonylContact O-C 3.54Å; V194-F257 WeakPolarHBondContact O-CA 3.5Å; L196-F257 HydrophobicContact CB-CE1 3.87Å; L196-F257 HydrophobicContact CB-CZ 3.74Å; L196-F257 HydrophobicContact CD2-CE1 4.43Å; L196-F257 HydrophobicContact CD2-CZ 4.36Å; F212-F257 HydrophobicContact CD1-CE2 4.41Å; F212-F257 AromaticContact CE1-CE2 3.95Å; F212-F257 HydrophobicContact CE1-CE2 3.95Å; F212-F257 AromaticContact CE1-CZ 3.92Å; F212-F257 HydrophobicContact CE1-CZ 3.92Å; L241-F257 HydrophobicContact CD2-CZ 4.2Å; F257-M259 HydrophobicContact CD1-CG 3.87Å; F257-M259 HydrophobicContact CE1-CG 3.85Å; F257-V269 HydrophobicContact CD1-CG1 3.6Å; F257-V269 HydrophobicContact CE1-CG1 3.9Å; F257-V269 HydrophobicContact CG-CG1 4.09Å; F257-F273 HydrophobicContact CD2-CD1 4.25Å; F257-F273 AromaticContact CD2-CD2 3.7Å; F257-F273 HydrophobicContact CD2-CD2 3.7Å; F257-F273 AromaticContact CD2-CE1 3.96Å; F257-F273 HydrophobicContact CD2-CE1 3.96Å; F257-F273 AromaticContact CD2-CE2 3.37Å; F257-F273 HydrophobicContact CD2-CE2 3.37Å; F257-F273 HydrophobicContact CD2-CG 4.13Å; F257-F273 AromaticContact CD2-CZ 3.52Å; F257-F273 HydrophobicContact CD2-CZ 3.52Å; F257-F273 AromaticContact CE2-CD2 3.99Å; F257-F273 HydrophobicContact CE2-CD2 3.99Å; F257-F273 HydrophobicContact CE2-CE1 4.26Å; F257-F273 AromaticContact CE2-CE2 3.23Å; F257-F273 HydrophobicContact CE2-CE2 3.23Å; F257-F273 AromaticContact CE2-CZ 3.4Å; F257-F273 HydrophobicContact CE2-CZ 3.4Å; F257-F273 HydrophobicContact CG-CD2 4.18Å; F257-F273 HydrophobicContact CG-CE2 4.23Å; F257-F273 AromaticContact CZ-CE2 3.98Å; F257-F273 HydrophobicContact CZ-CE2 3.98Å; F257-F273 HydrophobicContact CZ-CZ 4.48Å; F257-A276 HydrophobicContact CB-CB 4.32Å; F257-R277 PolarHBondContact N-O 3.12Å; F257-I278 CarbonylContact O-C 3.53Å; F257-I278 WeakPolarHBondContact O-CA 3.37Å; F257-L279 PolarHBondContact O-N 3.47Å
258I94.1Very high87.4Confident0 Ų035.9 Ų35.90%021%0.212CC..EExtended strand (participates in β ladder)trans-95.7123.4-179-53.8175.3000108.6V193 V194 L195 L196 T256 L279 I358 I361V193-I258 HydrophobicContact CG1-CD1 3.79Å; V193-I258 HydrophobicContact CG1-CG1 4.28Å; V194-I258 PolarHBondContact O-N 2.83Å; L195-I258 WeakPolarHBondContact CA-O 3.34Å; L195-I258 HydrophobicContact CB-CB 4.36Å; L195-I258 HydrophobicContact CD1-CB 3.85Å; L195-I258 HydrophobicContact CD1-CG2 3.61Å; L196-I258 PolarHBondContact N-O 3.23Å; T256-I258 HydrophobicContact CG2-CG1 3.99Å; I258-L279 CarbonylContact C-O 3.27Å; I258-L279 WeakPolarHBondContact CA-O 3.34Å; I258-L279 HydrophobicContact CG1-CB 4.41Å; I258-I358 HydrophobicContact CG2-CG2 3.81Å; I258-I361 HydrophobicContact CD1-CD1 3.63Å; I258-I361 HydrophobicContact CD1-CG2 4.2Å
259M91.6Very high87.6Confident1 Ų135.5 Ų35.51%0.00521%0.21CC..EExtended strand (participates in β ladder)trans-99108.1174-64.3-176.873.200110.3L237 F257 L266 V269 I278 L279 L280 N281L237-M259 HydrophobicContact CD2-CE 4.14Å; F257-M259 HydrophobicContact CD1-CG 3.87Å; F257-M259 HydrophobicContact CE1-CG 3.85Å; M259-L266 HydrophobicContact CE-CD2 4.48Å; M259-L266 HydrophobicContact SD-CD2 3.62Å; M259-V269 HydrophobicContact CE-CG2 3.89Å; M259-V269 HydrophobicContact SD-CB 4.46Å; M259-V269 HydrophobicContact SD-CG2 3.82Å; M259-I278 HydrophobicContact CG-CG2 4.22Å; M259-I278 HydrophobicContact SD-CG2 3.92Å; M259-L279 PolarHBondContact N-O 3.38Å; M259-L280 HydrophobicContact CB-CD2 3.97Å; M259-L280 HydrophobicContact CG-CD2 4.41Å; M259-L280 HydrophobicContact SD-CD2 4.12Å; M259-N281 PolarHBondContact O-N 3.44Å
260D87.9Confident87.7Confident17 Ų1736.9 Ų36.99%0.09121%0.206CC..EExtended strand (participates in β ladder)trans-106.358.2165.5-172.723.8000110.2L195 L196 N197 A198 N281 I362L195-D260 HydrophobicContact CD1-CB 3.7Å; L196-D260 CarbonylContact O-C 3.54Å; L196-D260 WeakPolarHBondContact O-CA 3.29Å; L196-D260 WeakPolarHBondContact O-CB 3.2Å; L196-D260 PolarHBondContact O-N 3.05Å; N197-D260 PolarHBondContact OD1-OD2 2.92Å; A198-D260 PolarHBondContact N-O 3.18Å; D260-N281 HydrophobicContact CB-CB 4.41Å; D260-N281 PolarHBondContact OD1-ND2 2.6Å; D260-I362 HydrophobicContact CB-CD1 4Å; D260-I362 HydrophobicContact CB-CG1 4.17Å; D260-I362 WeakPolarHBondContact OD2-CG2 3.43Å
261C80.9Confident87.8Confident7 Ų740.2 Ų40.25%0.04721%0.21CC..SBendtrans-147.8170.2176.562.10000109.2A198 I263 I284A198-C261 HydrophobicContact CB-CB 3.45Å; A198-C261 VanDerWaalsContact CB-CB 3.45Å; C261-I263 PolarHBondContact O-N 2.88Å; C261-I284 WeakPolarHBondContact O-CD1 3.15Å
262A72.6Confident87.7Confident44 Ų4440.4 Ų40.436%0.36421%0.212SC..  trans-53.5136.9176.300000109.8Y200 V264Y200-A262 PolarHBondContact OH-N 3.37Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 HydrophobicContact CB-CG2 3.99Å; A262-V264 VanDerWaalsContact O-CG2 3.26Å; A262-V264 WeakPolarHBondContact O-CG2 3.36Å; A262-V264 PolarHBondContact O-N 3.1Å
263I64.6Low87.7Confident49 Ų4936.9 Ų36.925%0.25119%0.192SC..  trans-75.391.7-175.3-61.2160.5000108C261 L266 L280 I284 I285 W336C261-I263 PolarHBondContact O-N 2.88Å; I263-L266 HydrophobicContact CG2-CD1 4.18Å; I263-L266 HydrophobicContact CG2-CD2 4.24Å; I263-L266 HydrophobicContact CG2-CG 4.21Å; I263-L280 HydrophobicContact CD1-CD1 3.94Å; I263-L280 HydrophobicContact CG1-CD1 4.27Å; I263-L280 HydrophobicContact CG1-CD2 4.39Å; I263-L280 HydrophobicContact CG2-CD1 4.43Å; I263-I284 HydrophobicContact CD1-CG2 3.99Å; I263-I284 HydrophobicContact CG1-CG2 4.05Å; I263-I285 HydrophobicContact CD1-CG1 3.85Å; I263-W336 HydrophobicContact CD1-CH2 3.53Å; I263-W336 HydrophobicContact CD1-CZ3 3.74Å
264V65.3Low87.6Confident57 Ų5736 Ų3635%0.34519%0.192SC..  trans-130.8131.6177.5-131.30000108.6K234 L237 A262K234-V264 HydrophobicContact CG-CG1 4.16Å; L237-V264 WeakPolarHBondContact CD2-O 3.43Å; A262-V264 VanDerWaalsContact C-N 3.34Å; A262-V264 HydrophobicContact CB-CG2 3.99Å; A262-V264 VanDerWaalsContact O-CG2 3.26Å; A262-V264 WeakPolarHBondContact O-CG2 3.36Å; A262-V264 PolarHBondContact O-N 3.1Å
265Q77.1Confident87.4Confident57 Ų5742.4 Ų42.427%0.26622%0.22SC..  trans55.157.5171.4-60.3-177.7-37.300115.4K234 D267 V268 V269K234-Q265 PolarHBondContact O-OE1 3.24Å; Q265-D267 VanDerWaalsContact CA-OD1 3.27Å; Q265-D267 WeakPolarHBondContact CA-OD1 3.3Å; Q265-D267 PolarHBondContact O-N 3.4Å; Q265-D267 VanDerWaalsContact O-N 3.1Å; Q265-V268 HydrophobicContact CB-CB 3.94Å; Q265-V268 HydrophobicContact CB-CG2 3.78Å; Q265-V268 HydrophobicContact CG-CG2 4.39Å; Q265-V268 WeakPolarHBondContact O-CB 3.21Å; Q265-V268 PolarHBondContact O-N 2.94Å; Q265-V269 PolarHBondContact O-N 3.41Å
266L86.9Confident87.4Confident30 Ų3039.2 Ų39.216%0.15721%0.206CC..Hα-helixtrans-54.5-28.7170.9-62.5172.6000112.3M259 I263 V268 V269 Q270 I278 L280 I339 M342M259-L266 HydrophobicContact CE-CD2 4.48Å; M259-L266 HydrophobicContact SD-CD2 3.62Å; I263-L266 HydrophobicContact CG2-CD1 4.18Å; I263-L266 HydrophobicContact CG2-CD2 4.24Å; I263-L266 HydrophobicContact CG2-CG 4.21Å; L266-V268 VanDerWaalsContact C-N 3.34Å; L266-V269 PolarHBondContact O-N 3.41Å; L266-Q270 VanDerWaalsContact O-CB 3.27Å; L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 PolarHBondContact O-N 3.44Å; L266-I278 HydrophobicContact CD2-CG2 4.24Å; L266-L280 HydrophobicContact CD2-CD2 3.82Å; L266-I339 HydrophobicContact CD1-CD1 3.96Å; L266-I339 HydrophobicContact CD1-CG2 4.31Å; L266-M342 HydrophobicContact CD1-SD 3.82Å; L266-M342 HydrophobicContact CD2-SD 4.37Å
267D88.4Confident87.3Confident85 Ų8542.6 Ų42.646%0.45522%0.219SC..Hα-helixtrans-65.1-34.7175.867.2-60.3000112.8Q265 Q270 K271Q265-D267 VanDerWaalsContact CA-OD1 3.27Å; Q265-D267 WeakPolarHBondContact CA-OD1 3.3Å; Q265-D267 PolarHBondContact O-N 3.4Å; Q265-D267 VanDerWaalsContact O-N 3.1Å; D267-Q270 PolarHBondContact O-N 3.28Å; D267-K271 WeakPolarHBondContact O-CB 3.35Å; D267-K271 VanDerWaalsContact O-CG 3.23Å; D267-K271 WeakPolarHBondContact O-CG 3.44Å; D267-K271 PolarHBondContact O-N 3.44Å; D267-K271 IonicContact OD2-NZ 3.75Å
268V89.7Confident87.3Confident7 Ų742.7 Ų42.74%0.04222%0.219CC..Hα-helixtrans-67.6-47.31761650000110.2L237 Q238 L241 Q265 L266 Q270 K271 V272L237-V268 HydrophobicContact CG-CG1 4.49Å; Q238-V268 HydrophobicContact CB-CG1 4.09Å; Q238-V268 VanDerWaalsContact OE1-CG1 3.24Å; L241-V268 HydrophobicContact CD1-CG1 3.8Å; Q265-V268 HydrophobicContact CB-CB 3.94Å; Q265-V268 HydrophobicContact CB-CG2 3.78Å; Q265-V268 HydrophobicContact CG-CG2 4.39Å; Q265-V268 WeakPolarHBondContact O-CB 3.21Å; Q265-V268 PolarHBondContact O-N 2.94Å; L266-V268 VanDerWaalsContact C-N 3.34Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 3.14Å; V268-K271 PolarHBondContact O-N 2.88Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-V272 PolarHBondContact O-N 3.47Å
269V91.6Very high87.3Confident0 Ų042.7 Ų42.70%022%0.219CC..Hα-helixtrans-61.8-43.4175.3-177.40000110.7L237 L241 F257 M259 Q265 L266 K271 V272 F273 I278L237-V269 HydrophobicContact CD2-CG2 3.82Å; L241-V269 HydrophobicContact CD1-CG2 4.09Å; F257-V269 HydrophobicContact CD1-CG1 3.6Å; F257-V269 HydrophobicContact CE1-CG1 3.9Å; F257-V269 HydrophobicContact CG-CG1 4.09Å; M259-V269 HydrophobicContact CE-CG2 3.89Å; M259-V269 HydrophobicContact SD-CB 4.46Å; M259-V269 HydrophobicContact SD-CG2 3.82Å; Q265-V269 PolarHBondContact O-N 3.41Å; L266-V269 PolarHBondContact O-N 3.41Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 2.78Å; V269-V272 PolarHBondContact O-N 2.87Å; V269-F273 HydrophobicContact CG1-CD2 4.03Å; V269-F273 PolarHBondContact O-N 3.01Å; V269-I278 HydrophobicContact CB-CD1 3.93Å; V269-I278 HydrophobicContact CG1-CD1 3.75Å; V269-I278 HydrophobicContact CG1-CG1 4.01Å
270Q92.3Very high87.4Confident69 Ų6942.7 Ų42.732%0.32222%0.219SC..Hα-helixtrans-66.3-32.8-178.8-168.865.274.200112.6L266 D267 V268 F273 P274 I278L266-Q270 VanDerWaalsContact O-CB 3.27Å; L266-Q270 WeakPolarHBondContact O-CB 3.32Å; L266-Q270 PolarHBondContact O-N 3.44Å; D267-Q270 PolarHBondContact O-N 3.28Å; V268-Q270 VanDerWaalsContact C-N 3.33Å; V268-Q270 PolarHBondContact O-N 3.14Å; Q270-F273 PolarHBondContact NE2-O 3.1Å; Q270-F273 VanDerWaalsContact NE2-O 3.14Å; Q270-F273 CarbonylContact O-C 3.59Å; Q270-P274 PolarHBondContact NE2-O 2.88Å; Q270-P274 WeakPolarHBondContact O-CA 3.37Å; Q270-I278 HydrophobicContact CB-CD1 3.9Å
271K92.6Very high87.5Confident148 Ų14842.2 Ų42.264%0.64322%0.217SC*.Hα-helixtrans-66.1-39.6173.1-77.7166.6-175.3163.60112D267 V268 V269D267-K271 WeakPolarHBondContact O-CB 3.35Å; D267-K271 VanDerWaalsContact O-CG 3.23Å; D267-K271 WeakPolarHBondContact O-CG 3.44Å; D267-K271 PolarHBondContact O-N 3.44Å; D267-K271 IonicContact OD2-NZ 3.75Å; V268-K271 PolarHBondContact O-N 2.88Å; V269-K271 VanDerWaalsContact C-N 3.32Å; V269-K271 PolarHBondContact O-N 2.78Å
272V92.7Very high87.9Confident23 Ų2342.8 Ų42.814%0.13922%0.221CC..Hα-helixtrans-76.3-40-179.7175.60000111.6L241 C245 V251 V268 V269 P274L241-V272 HydrophobicContact CB-CG1 4.35Å; L241-V272 HydrophobicContact CB-CG2 4.03Å; L241-V272 HydrophobicContact CD1-CB 4.16Å; L241-V272 HydrophobicContact CD1-CG2 3.87Å; C245-V272 WeakPolarHBondContact SG-CG1 3.34Å; V251-V272 WeakPolarHBondContact CG2-O 3.43Å; V268-V272 WeakPolarHBondContact O-CG2 3.47Å; V268-V272 PolarHBondContact O-N 3.47Å; V269-V272 PolarHBondContact O-N 2.87Å; V272-P274 WeakPolarHBondContact O-CD 3.45Å
273F94Very high88.6Confident3 Ų344.2 Ų44.21%0.01322%0.219CC..  trans-115.367.7178.6-59.8-86.4000111.4L241 F244 V251 T254 F257 V269 Q270 K275 A276L241-F273 HydrophobicContact CD2-CE2 3.84Å; F244-F273 AromaticContact CD1-CZ 3.89Å; F244-F273 HydrophobicContact CD1-CZ 3.89Å; F244-F273 HydrophobicContact CE1-CE1 4.05Å; F244-F273 AromaticContact CE1-CZ 3.68Å; F244-F273 HydrophobicContact CE1-CZ 3.68Å; V251-F273 HydrophobicContact CB-CD1 3.88Å; V251-F273 HydrophobicContact CB-CE1 3.61Å; V251-F273 HydrophobicContact CG1-CE1 3.8Å; V251-F273 HydrophobicContact CG1-CZ 4.36Å; V251-F273 HydrophobicContact CG2-CD1 3.94Å; V251-F273 HydrophobicContact CG2-CE1 4.04Å; T254-F273 HydrophobicContact CG2-CD1 3.97Å; T254-F273 HydrophobicContact CG2-CE1 4.1Å; F257-F273 HydrophobicContact CD2-CD1 4.25Å; F257-F273 AromaticContact CD2-CD2 3.7Å; F257-F273 HydrophobicContact CD2-CD2 3.7Å; F257-F273 AromaticContact CD2-CE1 3.96Å; F257-F273 HydrophobicContact CD2-CE1 3.96Å; F257-F273 AromaticContact CD2-CE2 3.37Å; F257-F273 HydrophobicContact CD2-CE2 3.37Å; F257-F273 HydrophobicContact CD2-CG 4.13Å; F257-F273 AromaticContact CD2-CZ 3.52Å; F257-F273 HydrophobicContact CD2-CZ 3.52Å; F257-F273 AromaticContact CE2-CD2 3.99Å; F257-F273 HydrophobicContact CE2-CD2 3.99Å; F257-F273 HydrophobicContact CE2-CE1 4.26Å; F257-F273 AromaticContact CE2-CE2 3.23Å; F257-F273 HydrophobicContact CE2-CE2 3.23Å; F257-F273 AromaticContact CE2-CZ 3.4Å; F257-F273 HydrophobicContact CE2-CZ 3.4Å; F257-F273 HydrophobicContact CG-CD2 4.18Å; F257-F273 HydrophobicContact CG-CE2 4.23Å; F257-F273 AromaticContact CZ-CE2 3.98Å; F257-F273 HydrophobicContact CZ-CE2 3.98Å; F257-F273 HydrophobicContact CZ-CZ 4.48Å; V269-F273 HydrophobicContact CG1-CD2 4.03Å; V269-F273 PolarHBondContact O-N 3.01Å; Q270-F273 PolarHBondContact NE2-O 3.1Å; Q270-F273 VanDerWaalsContact NE2-O 3.14Å; Q270-F273 CarbonylContact O-C 3.59Å; F273-K275 PolarHBondContact O-N 3.33Å; F273-K275 VanDerWaalsContact O-N 3.17Å; F273-A276 HydrophobicContact CB-CB 3.66Å; F273-A276 HydrophobicContact CG-CB 4.46Å; F273-A276 PolarHBondContact O-N 2.98Å; F273-A276 VanDerWaalsContact O-N 3.13Å
274P93.2Very high89.7Confident83 Ų8343.2 Ų43.254%0.53921%0.213SC..THydrogen-bonded Turntrans-63.8-27-173.425.9-35000113.4Q270 V272Q270-P274 PolarHBondContact NE2-O 2.88Å; Q270-P274 WeakPolarHBondContact O-CA 3.37Å; V272-P274 WeakPolarHBondContact O-CD 3.45Å
275K93.1Very high90.9Very high137 Ų13740.5 Ų40.560%0.59620%0.197SC*.THydrogen-bonded Turntrans-92.8-14.4179.8-65173.1-177.2158.90113.4D252 F273D252-K275 IonicContact OD1-NZ 3.59Å; D252-K275 PolarHBondContact OD1-NZ 3.24Å; F273-K275 PolarHBondContact O-N 3.33Å; F273-K275 VanDerWaalsContact O-N 3.17Å
276A95.6Very high91.5Very high6 Ų640.3 Ų40.35%0.0520%0.195CC..SBendtrans-83.7143.1-175.500000111.3T254 H255 F257 F273 I278T254-A276 HydrophobicContact CG2-CB 4.26Å; T254-A276 WeakPolarHBondContact O-CB 3.23Å; H255-A276 CarbonylContact O-C 3.49Å; H255-A276 WeakPolarHBondContact O-CA 3.41Å; F257-A276 HydrophobicContact CB-CB 4.32Å; F273-A276 HydrophobicContact CB-CB 3.66Å; F273-A276 HydrophobicContact CG-CB 4.46Å; F273-A276 PolarHBondContact O-N 2.98Å; F273-A276 VanDerWaalsContact O-N 3.13Å; A276-I278 PolarHBondContact O-N 2.76Å
277R95Very high91.6Very high71 Ų7142.5 Ų42.527%0.26821%0.205SC..EExtended strand (participates in β ladder)trans-75.5118.4163-174.159.959.294.512.9108.8H255 T256 F257 L279 D350 A351H255-R277 PolarHBondContact O-N 2.89Å; T256-R277 CarbonylContact C-O 3.48Å; T256-R277 VanDerWaalsContact CA-O 3.3Å; T256-R277 WeakPolarHBondContact CA-O 3.5Å; F257-R277 PolarHBondContact N-O 3.12Å; R277-L279 HydrophobicContact CG-CD2 3.88Å; R277-L279 HydrophobicContact CG-CG 4.34Å; R277-D350 IonicContact CZ-OD2 3.1Å; R277-D350 IonicContact NH1-OD1 3.05Å; R277-D350 PolarHBondContact NH1-OD1 3.22Å; R277-D350 IonicContact NH1-OD2 2.65Å; R277-D350 PolarHBondContact NH1-OD2 3.27Å; R277-D350 IonicContact NH2-OD2 3.62Å; R277-D350 PolarHBondContact NH2-OD2 3.34Å; R277-A351 HydrophobicContact CG-CB 4.08Å
278I94.7Very high91.6Very high2 Ų239.8 Ų39.81%0.0119%0.192CC..EExtended strand (participates in β ladder)trans-79.6126.9172.5-57.2171.5000108.6F257 M259 L266 V269 Q270 A276 L280 M342F257-I278 CarbonylContact O-C 3.53Å; F257-I278 WeakPolarHBondContact O-CA 3.37Å; M259-I278 HydrophobicContact CG-CG2 4.22Å; M259-I278 HydrophobicContact SD-CG2 3.92Å; L266-I278 HydrophobicContact CD2-CG2 4.24Å; V269-I278 HydrophobicContact CB-CD1 3.93Å; V269-I278 HydrophobicContact CG1-CD1 3.75Å; V269-I278 HydrophobicContact CG1-CG1 4.01Å; Q270-I278 HydrophobicContact CB-CD1 3.9Å; A276-I278 PolarHBondContact O-N 2.76Å; I278-L280 HydrophobicContact CG2-CD2 4.24Å; I278-M342 HydrophobicContact CB-CE 4.26Å; I278-M342 HydrophobicContact CB-SD 4.34Å; I278-M342 HydrophobicContact CD1-CE 4.34Å; I278-M342 HydrophobicContact CG2-SD 4.42Å; I278-M342 VanDerWaalsContact O-CA 3.3Å; I278-M342 WeakPolarHBondContact O-CA 3.36Å; I278-M342 VanDerWaalsContact O-CB 3.31Å; I278-M342 WeakPolarHBondContact O-CB 3.25Å; I278-M342 WeakPolarHBondContact O-CG 3.32Å
279L94.1Very high91.8Very high0 Ų039.4 Ų39.40%019%0.19CC..EExtended strand (participates in β ladder)trans-120140.3174.5-60.7-178.9000110.1T256 F257 I258 M259 R277 M342 C348 A351 T353 I358T256-L279 HydrophobicContact CG2-CB 4.47Å; T256-L279 HydrophobicContact CG2-CD1 3.46Å; T256-L279 VanDerWaalsContact CG2-CD1 3.46Å; T256-L279 HydrophobicContact CG2-CG 3.82Å; F257-L279 PolarHBondContact O-N 3.47Å; I258-L279 CarbonylContact C-O 3.27Å; I258-L279 WeakPolarHBondContact CA-O 3.34Å; I258-L279 HydrophobicContact CG1-CB 4.41Å; M259-L279 PolarHBondContact N-O 3.38Å; R277-L279 HydrophobicContact CG-CD2 3.88Å; R277-L279 HydrophobicContact CG-CG 4.34Å; L279-M342 CarbonylContact C-O 3.51Å; L279-M342 WeakPolarHBondContact CA-O 3.24Å; L279-C348 HydrophobicContact CD2-CB 4.04Å; L279-A351 HydrophobicContact CD1-CB 3.89Å; L279-A351 HydrophobicContact CD2-CB 4.23Å; L279-A351 HydrophobicContact CG-CB 4.48Å; L279-T353 HydrophobicContact CD1-CG2 3.97Å; L279-I358 HydrophobicContact CB-CD1 3.94Å; L279-I358 HydrophobicContact CD1-CD1 3.91Å; L279-I358 HydrophobicContact CD1-CG1 4.21Å; L279-I358 HydrophobicContact CG-CD1 4.43Å
280L93Very high91.8Very high1 Ų142.3 Ų42.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-106.2144.8-176.1-57.9-178.5000110.8M259 I263 L266 I278 P282 I285 I339 M342M259-L280 HydrophobicContact CB-CD2 3.97Å; M259-L280 HydrophobicContact CG-CD2 4.41Å; M259-L280 HydrophobicContact SD-CD2 4.12Å; I263-L280 HydrophobicContact CD1-CD1 3.94Å; I263-L280 HydrophobicContact CG1-CD1 4.27Å; I263-L280 HydrophobicContact CG1-CD2 4.39Å; I263-L280 HydrophobicContact CG2-CD1 4.43Å; L266-L280 HydrophobicContact CD2-CD2 3.82Å; I278-L280 HydrophobicContact CG2-CD2 4.24Å; L280-P282 VanDerWaalsContact O-CD 3.24Å; L280-P282 WeakPolarHBondContact O-CD 3.47Å; L280-I285 HydrophobicContact CB-CD1 3.42Å; L280-I285 VanDerWaalsContact CB-CD1 3.42Å; L280-I285 HydrophobicContact CB-CG1 4.05Å; L280-I285 HydrophobicContact CD1-CD1 4.2Å; L280-I285 HydrophobicContact CD1-CG1 4.44Å; L280-I285 HydrophobicContact CG-CD1 4.44Å; L280-I339 HydrophobicContact CD1-CD1 4.3Å; L280-M342 HydrophobicContact CD1-CB 4.23Å; L280-M342 HydrophobicContact CG-CB 4.07Å; L280-M342 PolarHBondContact N-O 2.84Å
281N90.7Very high91.7Very high8 Ų847.1 Ų47.14%0.04322%0.223CC..  trans-59.7119.3172.2-179.4-6000110.8M259 D260 F283 I284 I285 I362M259-N281 PolarHBondContact O-N 3.44Å; D260-N281 HydrophobicContact CB-CB 4.41Å; D260-N281 PolarHBondContact OD1-ND2 2.6Å; N281-F283 PolarHBondContact O-N 2.78Å; N281-F283 VanDerWaalsContact O-N 3.1Å; N281-F283 WeakPolarHBondContact OD1-CB 2.93Å; N281-F283 WeakPolarHBondContact OD1-CD2 3.44Å; N281-F283 PolarHBondContact OD1-N 2.87Å; N281-I284 HydrophobicContact CB-CB 4.38Å; N281-I284 HydrophobicContact CB-CD1 4.07Å; N281-I284 HydrophobicContact CB-CG1 4.09Å; N281-I284 PolarHBondContact O-N 2.86Å; N281-I285 WeakPolarHBondContact O-CG1 3.19Å; N281-I285 PolarHBondContact O-N 3.01Å; N281-I362 HydrophobicContact CB-CD1 3.71Å; N281-I362 VanDerWaalsContact CG-CD1 3.45Å
282P89.6Confident91.5Very high19 Ų1947.4 Ų47.412%0.12322%0.224CC..Hα-helixtrans-51.1-33.3175.5-31.439.1000114.9L280 K286 I306 I359L280-P282 VanDerWaalsContact O-CD 3.24Å; L280-P282 WeakPolarHBondContact O-CD 3.47Å; P282-K286 WeakPolarHBondContact O-CB 3.36Å; P282-K286 PolarHBondContact O-N 3.45Å; P282-K286 VanDerWaalsContact O-N 3.09Å; P282-I306 HydrophobicContact CB-CG2 3.69Å; P282-I306 HydrophobicContact CG-CG2 4.36Å; P282-I359 HydrophobicContact CG-CD1 4.43Å; P282-I359 HydrophobicContact CG-CG1 4.17Å
283F87.5Confident91.4Very high73 Ų7346.8 Ų46.832%0.3222%0.221SC..Hα-helixtrans-69.5-45.3-178.9-64.3-69.6000111.9N281 I285 K286 E287 I359N281-F283 PolarHBondContact O-N 2.78Å; N281-F283 VanDerWaalsContact O-N 3.1Å; N281-F283 WeakPolarHBondContact OD1-CB 2.93Å; N281-F283 WeakPolarHBondContact OD1-CD2 3.44Å; N281-F283 PolarHBondContact OD1-N 2.87Å; F283-I285 VanDerWaalsContact C-N 3.28Å; F283-I285 PolarHBondContact O-N 2.84Å; F283-K286 PolarHBondContact O-N 3.12Å; F283-E287 WeakPolarHBondContact O-CB 3.31Å; F283-E287 PolarHBondContact O-N 2.88Å; F283-I359 HydrophobicContact CE2-CB 4.43Å; F283-I359 HydrophobicContact CE2-CD1 4.35Å; F283-I359 HydrophobicContact CE2-CG1 3.93Å; F283-I359 HydrophobicContact CE2-CG2 3.92Å; F283-I359 HydrophobicContact CZ-CD1 4.3Å; F283-I359 HydrophobicContact CZ-CG1 4.36Å; F283-I359 HydrophobicContact CZ-CG2 4.14Å
284I86.6Confident91.1Very high28 Ų2854.2 Ų54.214%0.14426%0.261CS..Hα-helixtrans-63.7-37.7179.8-64.1-179000110.7C261 I263 N281 E287 S288C261-I284 WeakPolarHBondContact O-CD1 3.15Å; I263-I284 HydrophobicContact CD1-CG2 3.99Å; I263-I284 HydrophobicContact CG1-CG2 4.05Å; N281-I284 HydrophobicContact CB-CB 4.38Å; N281-I284 HydrophobicContact CB-CD1 4.07Å; N281-I284 HydrophobicContact CB-CG1 4.09Å; N281-I284 PolarHBondContact O-N 2.86Å; I284-E287 PolarHBondContact O-N 2.86Å; I284-S288 VanDerWaalsContact O-CB 3.31Å; I284-S288 WeakPolarHBondContact O-CB 3.3Å; I284-S288 PolarHBondContact O-N 3.27Å; I284-S288 PolarHBondContact O-OG 2.74Å
285I90.5Very high91Very high0 Ų052.2 Ų52.20%025%0.249CC..Hα-helixtrans-66.9-48178.4-61.4165.2000110.7I263 L280 N281 F283 E287 S288 F289 F302 I306 W336 W343I263-I285 HydrophobicContact CD1-CG1 3.85Å; L280-I285 HydrophobicContact CB-CD1 3.42Å; L280-I285 VanDerWaalsContact CB-CD1 3.42Å; L280-I285 HydrophobicContact CB-CG1 4.05Å; L280-I285 HydrophobicContact CD1-CD1 4.2Å; L280-I285 HydrophobicContact CD1-CG1 4.44Å; L280-I285 HydrophobicContact CG-CD1 4.44Å; N281-I285 WeakPolarHBondContact O-CG1 3.19Å; N281-I285 PolarHBondContact O-N 3.01Å; F283-I285 VanDerWaalsContact C-N 3.28Å; F283-I285 PolarHBondContact O-N 2.84Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.81Å; I285-S288 PolarHBondContact O-N 3.01Å; I285-F289 PolarHBondContact O-N 3.12Å; I285-F302 HydrophobicContact CG2-CE1 3.82Å; I285-F302 HydrophobicContact CG2-CZ 3.88Å; I285-I306 HydrophobicContact CB-CD1 4.41Å; I285-I306 HydrophobicContact CG2-CD1 4Å; I285-I306 HydrophobicContact CG2-CG1 4.39Å; I285-W336 HydrophobicContact CB-CH2 4.37Å; I285-W336 HydrophobicContact CB-CZ3 4.25Å; I285-W336 HydrophobicContact CG1-CH2 4.28Å; I285-W336 HydrophobicContact CG1-CZ3 3.92Å; I285-W336 HydrophobicContact CG2-CD2 4.32Å; I285-W336 HydrophobicContact CG2-CE3 3.88Å; I285-W336 HydrophobicContact CG2-CH2 4.02Å; I285-W336 HydrophobicContact CG2-CZ2 4.45Å; I285-W336 HydrophobicContact CG2-CZ3 3.73Å; I285-W343 HydrophobicContact CD1-CB 3.24Å; I285-W343 HydrophobicContact CD1-CG 4.04Å
286K90.7Very high91Very high54 Ų5450.5 Ų50.524%0.23525%0.246CC..Hα-helixtrans-59.6-44.3175.8-176.2-176-179.5177.50111.2P282 F283 F289 T290 H303 I306P282-K286 WeakPolarHBondContact O-CB 3.36Å; P282-K286 PolarHBondContact O-N 3.45Å; P282-K286 VanDerWaalsContact O-N 3.09Å; F283-K286 PolarHBondContact O-N 3.12Å; K286-F289 PolarHBondContact O-N 3.12Å; K286-T290 WeakPolarHBondContact O-CB 3.33Å; K286-T290 PolarHBondContact O-N 3.24Å; K286-T290 PolarHBondContact O-OG1 2.78Å; K286-H303 HydrophobicContact CD-CB 4.42Å; K286-I306 HydrophobicContact CB-CD1 3.98Å
287E88.3Confident90.9Very high75 Ų7553.9 Ų53.935%0.3527%0.266SS..Hα-helixtrans-63.7-44.9179.3-166.6-176.817300111.2F283 I284 I285 F289 T290 R291F283-E287 WeakPolarHBondContact O-CB 3.31Å; F283-E287 PolarHBondContact O-N 2.88Å; I284-E287 PolarHBondContact O-N 2.86Å; I285-E287 VanDerWaalsContact C-N 3.31Å; I285-E287 PolarHBondContact O-N 2.81Å; E287-F289 VanDerWaalsContact C-N 3.28Å; E287-F289 PolarHBondContact O-N 3.31Å; E287-T290 PolarHBondContact O-N 3.26Å; E287-T290 VanDerWaalsContact O-N 3.15Å; E287-R291 WeakPolarHBondContact O-CG 3.15Å; E287-R291 PolarHBondContact O-N 2.81Å; E287-R291 IonicContact OE1-CZ 3.94Å; E287-R291 IonicContact OE1-NE 2.85Å; E287-R291 IonicContact OE1-NH2 3.31Å; E287-R291 PolarHBondContact OE1-NH2 3.19Å; E287-R291 IonicContact OE2-NH2 3.17Å
288S88.5Confident90.9Very high28 Ų2850.5 Ų50.520%0.19625%0.253CS..Hα-helixtrans-59-38.8177.1-61.80000112.3I284 I285I284-S288 VanDerWaalsContact O-CB 3.31Å; I284-S288 WeakPolarHBondContact O-CB 3.3Å; I284-S288 PolarHBondContact O-N 3.27Å; I284-S288 PolarHBondContact O-OG 2.74Å; I285-S288 PolarHBondContact O-N 3.01Å
289F92.7Very high90.9Very high0 Ų051.1 Ų51.10%026%0.257CS..Hα-helixtrans-72.6-41.9174.4179.6-97.3000112.6I285 K286 E287 R291 K292 C293 V299 F302 L321 A328 Y331 V332I285-F289 PolarHBondContact O-N 3.12Å; K286-F289 PolarHBondContact O-N 3.12Å; E287-F289 VanDerWaalsContact C-N 3.28Å; E287-F289 PolarHBondContact O-N 3.31Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 2.85Å; F289-K292 PolarHBondContact O-N 2.75Å; F289-C293 HydrophobicContact CD1-CB 4.26Å; F289-C293 HydrophobicContact CE1-CB 3.73Å; F289-C293 HydrophobicContact CE2-CB 4.19Å; F289-C293 HydrophobicContact CZ-CB 3.72Å; F289-C293 PolarHBondContact O-N 2.93Å; F289-C293 VanDerWaalsContact O-N 3.13Å; F289-V299 HydrophobicContact CD1-CG2 4.01Å; F289-V299 HydrophobicContact CE1-CB 4.36Å; F289-V299 HydrophobicContact CE1-CG2 3.84Å; F289-F302 HydrophobicContact CB-CD1 3.48Å; F289-F302 VanDerWaalsContact CB-CD1 3.48Å; F289-F302 HydrophobicContact CB-CE1 3.37Å; F289-F302 HydrophobicContact CB-CG 4.41Å; F289-F302 HydrophobicContact CB-CZ 4.26Å; F289-F302 HydrophobicContact CD1-CB 3.83Å; F289-F302 AromaticContact CD1-CD1 3.53Å; F289-F302 HydrophobicContact CD1-CD1 3.53Å; F289-F302 HydrophobicContact CD1-CE1 4.31Å; F289-F302 AromaticContact CD1-CG 3.83Å; F289-F302 HydrophobicContact CD1-CG 3.83Å; F289-F302 HydrophobicContact CD2-CD1 4Å; F289-F302 HydrophobicContact CD2-CD2 4.43Å; F289-F302 HydrophobicContact CD2-CE1 4.17Å; F289-F302 HydrophobicContact CD2-CG 4.13Å; F289-F302 HydrophobicContact CD2-CZ 4.48Å; F289-F302 HydrophobicContact CE1-CB 3.7Å; F289-F302 HydrophobicContact CE1-CD1 4.25Å; F289-F302 HydrophobicContact CE1-CG 4.09Å; F289-F302 HydrophobicContact CE2-CG 4.4Å; F289-F302 HydrophobicContact CG-CB 4.34Å; F289-F302 AromaticContact CG-CD1 3.37Å; F289-F302 HydrophobicContact CG-CD1 3.37Å; F289-F302 AromaticContact CG-CE1 3.7Å; F289-F302 HydrophobicContact CG-CE1 3.7Å; F289-F302 AromaticContact CG-CG 3.84Å; F289-F302 HydrophobicContact CG-CG 3.84Å; F289-F302 HydrophobicContact CG-CZ 4.43Å; F289-F302 HydrophobicContact CZ-CB 4.1Å; F289-F302 HydrophobicContact CZ-CG 4.35Å; F289-L321 HydrophobicContact CZ-CD1 4.35Å; F289-A328 HydrophobicContact CE2-CB 4.23Å; F289-A328 HydrophobicContact CZ-CB 3.93Å; F289-Y331 AromaticContact CD2-CD1 3.73Å; F289-Y331 HydrophobicContact CD2-CD1 3.73Å; F289-Y331 AromaticContact CD2-CE1 3.81Å; F289-Y331 HydrophobicContact CD2-CE1 3.81Å; F289-Y331 HydrophobicContact CE2-CD1 4Å; F289-V332 HydrophobicContact CD2-CG2 3.79Å; F289-V332 HydrophobicContact CE2-CG2 3.45Å; F289-V332 VanDerWaalsContact CE2-CG2 3.45Å; F289-V332 HydrophobicContact CZ-CG2 4.35Å
290T92.6Very high91Very high60 Ų6053.5 Ų53.537%0.36828%0.277SS..Hα-helixtrans-60.3-36.9-179.5-55.20000111.4K286 E287 K292 C293 V299K286-T290 WeakPolarHBondContact O-CB 3.33Å; K286-T290 PolarHBondContact O-N 3.24Å; K286-T290 PolarHBondContact O-OG1 2.78Å; E287-T290 PolarHBondContact O-N 3.26Å; E287-T290 VanDerWaalsContact O-N 3.15Å; T290-K292 PolarHBondContact O-N 3.43Å; T290-C293 PolarHBondContact O-N 2.99Å; T290-V299 HydrophobicContact CG2-CG2 4.48Å
291R89.6Confident91.1Very high171 Ų17155.7 Ų55.765%0.64529%0.286SS*.THydrogen-bonded Turntrans-66.5-15.4175.2-66.3179.6-160.7148.7-3114.4E287 F289E287-R291 WeakPolarHBondContact O-CG 3.15Å; E287-R291 PolarHBondContact O-N 2.81Å; E287-R291 IonicContact OE1-CZ 3.94Å; E287-R291 IonicContact OE1-NE 2.85Å; E287-R291 IonicContact OE1-NH2 3.31Å; E287-R291 PolarHBondContact OE1-NH2 3.19Å; E287-R291 IonicContact OE2-NH2 3.17Å; F289-R291 VanDerWaalsContact C-N 3.26Å; F289-R291 PolarHBondContact O-N 2.85Å
292K89Confident91.4Very high153 Ų15355.3 Ų55.367%0.66528%0.284SS*.THydrogen-bonded Turntrans-109.8-5.5-178.3-67.3-66.7-172.5179.60113.2F289 T290 Y331F289-K292 PolarHBondContact O-N 2.75Å; T290-K292 PolarHBondContact O-N 3.43Å; K292-Y331 HydrophobicContact CB-CD1 4.41Å; K292-Y331 HydrophobicContact CB-CE1 4.06Å; K292-Y331 HydrophobicContact CG-CE1 4.22Å; K292-Y331 HydrophobicContact CG-CE2 4.39Å
293C90.7Very high91.7Very high11 Ų1157.8 Ų57.87%0.07429%0.294CS..  trans-141.5111.8-171.9177.80000111.4F289 T290 S295 A298 V299F289-C293 HydrophobicContact CD1-CB 4.26Å; F289-C293 HydrophobicContact CE1-CB 3.73Å; F289-C293 HydrophobicContact CE2-CB 4.19Å; F289-C293 HydrophobicContact CZ-CB 3.72Å; F289-C293 PolarHBondContact O-N 2.93Å; F289-C293 VanDerWaalsContact O-N 3.13Å; T290-C293 PolarHBondContact O-N 2.99Å; C293-S295 VanDerWaalsContact C-N 3.34Å; C293-S295 PolarHBondContact O-N 3.16Å; C293-A298 VanDerWaalsContact SG-CB 3.59Å; C293-V299 HydrophobicContact CB-CG2 4.46Å
294D87.6Confident92.1Very high159 Ų15955.2 Ų55.285%0.8529%0.286SS*.  trans-77.4-19.9-180-54.8-41000113.1L296D294-L296 PolarHBondContact O-N 2.86Å; D294-L296 VanDerWaalsContact O-N 3.09Å
295S91.6Very high92.6Very high41 Ų4153.9 Ų53.929%0.28728%0.279SS..  trans-71.8107.1180173.90000111.2C293 T297 A298 V299C293-S295 VanDerWaalsContact C-N 3.34Å; C293-S295 PolarHBondContact O-N 3.16Å; S295-T297 PolarHBondContact O-N 2.95Å; S295-A298 WeakPolarHBondContact O-CB 3.37Å; S295-A298 PolarHBondContact O-N 2.86Å; S295-A298 VanDerWaalsContact O-N 3.09Å; S295-A298 PolarHBondContact OG-N 3.23Å; S295-V299 WeakPolarHBondContact O-CG2 3.49Å; S295-V299 PolarHBondContact O-N 2.94Å
296L92Very high92.9Very high101 Ų10154 Ų5453%0.52928%0.28SS..Hα-helixtrans-56.7-34175.2-65.1178000112.6D294 V299 A300D294-L296 PolarHBondContact O-N 2.86Å; D294-L296 VanDerWaalsContact O-N 3.09Å; L296-V299 PolarHBondContact O-N 3.37Å; L296-A300 WeakPolarHBondContact O-CB 3.12Å; L296-A300 PolarHBondContact O-N 3.02Å
297T94.2Very high93Very high76 Ų7654.9 Ų54.947%0.46629%0.29SS..Hα-helixtrans-68.1-44.3176.9-54.50000111S295 V299 A300 F301 T324S295-T297 PolarHBondContact O-N 2.95Å; T297-V299 VanDerWaalsContact C-N 3.34Å; T297-V299 PolarHBondContact O-N 3.43Å; T297-A300 WeakPolarHBondContact O-CB 3.32Å; T297-A300 PolarHBondContact O-N 3.29Å; T297-F301 HydrophobicContact CG2-CD2 4.1Å; T297-F301 HydrophobicContact CG2-CE2 3.51Å; T297-F301 HydrophobicContact CG2-CZ 3.94Å; T297-F301 WeakPolarHBondContact O-CD2 3.18Å; T297-F301 PolarHBondContact O-N 3.48Å; T297-T324 HydrophobicContact CG2-CG2 4Å
298A94.5Very high93.3Very high0 Ų052 Ų520%028%0.277CS..Hα-helixtrans-63-40.9174.700000111.7C293 S295 A300 F301 F302 L321 T324 A328C293-A298 VanDerWaalsContact SG-CB 3.59Å; S295-A298 WeakPolarHBondContact O-CB 3.37Å; S295-A298 PolarHBondContact O-N 2.86Å; S295-A298 VanDerWaalsContact O-N 3.09Å; S295-A298 PolarHBondContact OG-N 3.23Å; A298-A300 VanDerWaalsContact C-N 3.31Å; A298-A300 PolarHBondContact O-N 3.27Å; A298-F301 PolarHBondContact O-N 3.14Å; A298-F302 WeakPolarHBondContact O-CB 3.17Å; A298-F302 PolarHBondContact O-N 3.3Å; A298-L321 HydrophobicContact CB-CD1 3.56Å; A298-T324 HydrophobicContact CB-CG2 4.37Å; A298-A328 HydrophobicContact CB-CB 4.26Å
299V95.1Very high93.4Very high16 Ų1654.9 Ų54.910%0.09729%0.294CS..Hα-helixtrans-60.9-39.6173.3174.20000111.7F289 T290 C293 S295 L296 T297 H303F289-V299 HydrophobicContact CD1-CG2 4.01Å; F289-V299 HydrophobicContact CE1-CB 4.36Å; F289-V299 HydrophobicContact CE1-CG2 3.84Å; T290-V299 HydrophobicContact CG2-CG2 4.48Å; C293-V299 HydrophobicContact CB-CG2 4.46Å; S295-V299 WeakPolarHBondContact O-CG2 3.49Å; S295-V299 PolarHBondContact O-N 2.94Å; L296-V299 PolarHBondContact O-N 3.37Å; T297-V299 VanDerWaalsContact C-N 3.34Å; T297-V299 PolarHBondContact O-N 3.43Å; V299-H303 WeakPolarHBondContact O-CB 3.28Å; V299-H303 PolarHBondContact O-N 2.95Å
300A95.3Very high93.4Very high50 Ų5056.6 Ų56.641%0.41331%0.306SS..Hα-helixtrans-65.5-43.617600000112.2L296 T297 A298 H303 A304L296-A300 WeakPolarHBondContact O-CB 3.12Å; L296-A300 PolarHBondContact O-N 3.02Å; T297-A300 WeakPolarHBondContact O-CB 3.32Å; T297-A300 PolarHBondContact O-N 3.29Å; A298-A300 VanDerWaalsContact C-N 3.31Å; A298-A300 PolarHBondContact O-N 3.27Å; A300-H303 PolarHBondContact O-N 2.72Å; A300-A304 PolarHBondContact O-N 3Å
301F96.5Very high93.4Very high47 Ų4757.4 Ų57.421%0.20631%0.312CS..Hα-helixtrans-64.2-44175.3-67.3-39.6000112.1T297 A298 H303 A304 M305 Y317 R320 T324T297-F301 HydrophobicContact CG2-CD2 4.1Å; T297-F301 HydrophobicContact CG2-CE2 3.51Å; T297-F301 HydrophobicContact CG2-CZ 3.94Å; T297-F301 WeakPolarHBondContact O-CD2 3.18Å; T297-F301 PolarHBondContact O-N 3.48Å; A298-F301 PolarHBondContact O-N 3.14Å; F301-H303 VanDerWaalsContact C-N 3.32Å; F301-H303 PolarHBondContact O-N 3.41Å; F301-A304 WeakPolarHBondContact O-CB 3.33Å; F301-A304 PolarHBondContact O-N 3.44Å; F301-A304 VanDerWaalsContact O-N 3.13Å; F301-M305 WeakPolarHBondContact O-CG 3.35Å; F301-M305 PolarHBondContact O-N 3.06Å; F301-Y317 AromaticContact CD1-CD1 3.85Å; F301-Y317 HydrophobicContact CD1-CD1 3.85Å; F301-Y317 HydrophobicContact CD1-CE1 4.38Å; F301-Y317 HydrophobicContact CE1-CD1 4.47Å; F301-R320 HydrophobicContact CD1-CB 4.24Å; F301-R320 HydrophobicContact CD2-CB 3.99Å; F301-R320 HydrophobicContact CE1-CB 4.15Å; F301-R320 HydrophobicContact CE2-CB 3.87Å; F301-R320 HydrophobicContact CG-CB 4.18Å; F301-R320 HydrophobicContact CZ-CB 3.96Å; F301-R320 HydrophobicContact CZ-CG 4.5Å; F301-T324 VanDerWaalsContact CE2-OG1 3.29Å; F301-T324 WeakPolarHBondContact CE2-OG1 3.21Å
302F96.5Very high93.7Very high0 Ų056 Ų560%032%0.317CS..Hα-helixtrans-62.3-40176-171.4-113.1000111.8I285 F289 A298 A304 M305 I306 V332 W336 W343I285-F302 HydrophobicContact CG2-CE1 3.82Å; I285-F302 HydrophobicContact CG2-CZ 3.88Å; F289-F302 HydrophobicContact CB-CD1 3.48Å; F289-F302 VanDerWaalsContact CB-CD1 3.48Å; F289-F302 HydrophobicContact CB-CE1 3.37Å; F289-F302 HydrophobicContact CB-CG 4.41Å; F289-F302 HydrophobicContact CB-CZ 4.26Å; F289-F302 HydrophobicContact CD1-CB 3.83Å; F289-F302 AromaticContact CD1-CD1 3.53Å; F289-F302 HydrophobicContact CD1-CD1 3.53Å; F289-F302 HydrophobicContact CD1-CE1 4.31Å; F289-F302 AromaticContact CD1-CG 3.83Å; F289-F302 HydrophobicContact CD1-CG 3.83Å; F289-F302 HydrophobicContact CD2-CD1 4Å; F289-F302 HydrophobicContact CD2-CD2 4.43Å; F289-F302 HydrophobicContact CD2-CE1 4.17Å; F289-F302 HydrophobicContact CD2-CG 4.13Å; F289-F302 HydrophobicContact CD2-CZ 4.48Å; F289-F302 HydrophobicContact CE1-CB 3.7Å; F289-F302 HydrophobicContact CE1-CD1 4.25Å; F289-F302 HydrophobicContact CE1-CG 4.09Å; F289-F302 HydrophobicContact CE2-CG 4.4Å; F289-F302 HydrophobicContact CG-CB 4.34Å; F289-F302 AromaticContact CG-CD1 3.37Å; F289-F302 HydrophobicContact CG-CD1 3.37Å; F289-F302 AromaticContact CG-CE1 3.7Å; F289-F302 HydrophobicContact CG-CE1 3.7Å; F289-F302 AromaticContact CG-CG 3.84Å; F289-F302 HydrophobicContact CG-CG 3.84Å; F289-F302 HydrophobicContact CG-CZ 4.43Å; F289-F302 HydrophobicContact CZ-CB 4.1Å; F289-F302 HydrophobicContact CZ-CG 4.35Å; A298-F302 WeakPolarHBondContact O-CB 3.17Å; A298-F302 PolarHBondContact O-N 3.3Å; F302-A304 VanDerWaalsContact C-N 3.33Å; F302-A304 PolarHBondContact O-N 2.89Å; F302-M305 HydrophobicContact CD2-SD 4.17Å; F302-M305 WeakPolarHBondContact O-CB 3.18Å; F302-M305 PolarHBondContact O-N 2.92Å; F302-I306 HydrophobicContact CD1-CD1 3.96Å; F302-I306 HydrophobicContact CE1-CD1 3.83Å; F302-I306 HydrophobicContact CE1-CG1 4.35Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.41Å; F302-V332 HydrophobicContact CD2-CG1 4.21Å; F302-V332 HydrophobicContact CD2-CG2 3.62Å; F302-V332 HydrophobicContact CE2-CB 4.43Å; F302-V332 HydrophobicContact CE2-CG1 3.92Å; F302-V332 HydrophobicContact CE2-CG2 3.61Å; F302-V332 HydrophobicContact CG-CG2 4.5Å; F302-V332 HydrophobicContact CZ-CG2 4.47Å; F302-W336 HydrophobicContact CE2-CB 4.4Å; F302-W336 HydrophobicContact CE2-CG 4.34Å; F302-W336 HydrophobicContact CZ-CB 4.39Å; F302-W336 HydrophobicContact CZ-CD2 4.22Å; F302-W336 AromaticContact CZ-CG 3.95Å; F302-W336 HydrophobicContact CZ-CG 3.95Å; F302-W343 AromaticContact CE2-CH2 3.89Å; F302-W343 HydrophobicContact CE2-CH2 3.89Å; F302-W343 HydrophobicContact CE2-CZ2 4.31Å; F302-W343 HydrophobicContact CE2-CZ3 4.43Å; F302-W343 HydrophobicContact CZ-CH2 4.37Å
303H95.7Very high94Very high70 Ų7053.3 Ų53.332%0.32431%0.306SS..Hα-helixtrans-63-38.5173.6-177.552.7000113.1K286 V299 A300 F301 M305 I306 T307K286-H303 HydrophobicContact CD-CB 4.42Å; V299-H303 WeakPolarHBondContact O-CB 3.28Å; V299-H303 PolarHBondContact O-N 2.95Å; A300-H303 PolarHBondContact O-N 2.72Å; F301-H303 VanDerWaalsContact C-N 3.32Å; F301-H303 PolarHBondContact O-N 3.41Å; H303-M305 VanDerWaalsContact C-N 3.32Å; H303-I306 PolarHBondContact O-N 2.94Å; H303-T307 PolarHBondContact O-N 2.95Å; H303-T307 PolarHBondContact O-OG1 3.21Å
304A96.3Very high94.3Very high19 Ų1952.9 Ų52.916%0.15730%0.303CS..Hα-helixtrans-63.6-38.3173.900000111.7A300 F301 F302 I306 T307 T308 Y317A300-A304 PolarHBondContact O-N 3Å; F301-A304 WeakPolarHBondContact O-CB 3.33Å; F301-A304 PolarHBondContact O-N 3.44Å; F301-A304 VanDerWaalsContact O-N 3.13Å; F302-A304 VanDerWaalsContact C-N 3.33Å; F302-A304 PolarHBondContact O-N 2.89Å; A304-I306 VanDerWaalsContact C-N 3.34Å; A304-I306 PolarHBondContact O-N 3.39Å; A304-T307 PolarHBondContact O-N 3.34Å; A304-T307 PolarHBondContact O-OG1 3.1Å; A304-T308 WeakPolarHBondContact O-CB 3.33Å; A304-T308 WeakPolarHBondContact O-CG2 3.11Å; A304-T308 PolarHBondContact O-N 2.81Å; A304-Y317 HydrophobicContact CB-CD1 4Å; A304-Y317 HydrophobicContact CB-CD2 3.63Å; A304-Y317 HydrophobicContact CB-CE1 3.95Å; A304-Y317 HydrophobicContact CB-CE2 3.58Å; A304-Y317 HydrophobicContact CB-CG 3.85Å
305M97.5Very high94.8Very high0 Ų049.4 Ų49.40%029%0.285CS..Hα-helixtrans-61.3-39172.5-64.6167.265.300112.6F301 F302 H303 T307 F314 L318 L321 V332 I337 W343F301-M305 WeakPolarHBondContact O-CG 3.35Å; F301-M305 PolarHBondContact O-N 3.06Å; F302-M305 HydrophobicContact CD2-SD 4.17Å; F302-M305 WeakPolarHBondContact O-CB 3.18Å; F302-M305 PolarHBondContact O-N 2.92Å; H303-M305 VanDerWaalsContact C-N 3.32Å; M305-T307 VanDerWaalsContact C-N 3.31Å; M305-T307 PolarHBondContact O-N 3.15Å; M305-F314 HydrophobicContact CB-CD2 3.99Å; M305-F314 HydrophobicContact CB-CE2 3.8Å; M305-F314 HydrophobicContact CE-CE1 3.97Å; M305-F314 HydrophobicContact CE-CE2 3.97Å; M305-F314 HydrophobicContact CE-CZ 3.54Å; M305-F314 HydrophobicContact CG-CD2 4.49Å; M305-F314 HydrophobicContact CG-CE2 4.44Å; M305-F314 WeakPolarHBondContact O-CD2 3.35Å; M305-L318 HydrophobicContact CE-CB 3.94Å; M305-L318 HydrophobicContact CE-CD1 3.77Å; M305-L318 HydrophobicContact CE-CG 4.35Å; M305-L318 HydrophobicContact SD-CB 4.36Å; M305-L321 HydrophobicContact SD-CD2 4.36Å; M305-V332 HydrophobicContact CE-CG1 4.12Å; M305-I337 HydrophobicContact CE-CD1 4.46Å; M305-W343 HydrophobicContact CB-CH2 4.22Å; M305-W343 HydrophobicContact CB-CZ3 4.23Å; M305-W343 HydrophobicContact CE-CH2 4.21Å
306I95.2Very high95.1Very high3 Ų352.4 Ų52.42%0.01529%0.29CS..Hα-helixtrans-63.9-38.8178.5-64.5166.6000111.1P282 I285 K286 F302 H303 A304 W343 A345P282-I306 HydrophobicContact CB-CG2 3.69Å; P282-I306 HydrophobicContact CG-CG2 4.36Å; I285-I306 HydrophobicContact CB-CD1 4.41Å; I285-I306 HydrophobicContact CG2-CD1 4Å; I285-I306 HydrophobicContact CG2-CG1 4.39Å; K286-I306 HydrophobicContact CB-CD1 3.98Å; F302-I306 HydrophobicContact CD1-CD1 3.96Å; F302-I306 HydrophobicContact CE1-CD1 3.83Å; F302-I306 HydrophobicContact CE1-CG1 4.35Å; F302-I306 WeakPolarHBondContact O-CG1 3.35Å; F302-I306 PolarHBondContact O-N 3.41Å; H303-I306 PolarHBondContact O-N 2.94Å; A304-I306 VanDerWaalsContact C-N 3.34Å; A304-I306 PolarHBondContact O-N 3.39Å; I306-W343 HydrophobicContact CB-CE3 4.21Å; I306-W343 HydrophobicContact CB-CZ3 4.17Å; I306-W343 HydrophobicContact CG1-CE3 3.67Å; I306-W343 HydrophobicContact CG1-CZ3 3.55Å; I306-A345 WeakPolarHBondContact O-CB 3.18Å; I306-A345 PolarHBondContact O-N 2.76Å
307T93.7Very high95.4Very high73 Ų7350.4 Ų50.445%0.44828%0.276SS..Hα-helixtrans-99.6-20.3-166.950.90000114.6H303 A304 M305H303-T307 PolarHBondContact O-N 2.95Å; H303-T307 PolarHBondContact O-OG1 3.21Å; A304-T307 PolarHBondContact O-N 3.34Å; A304-T307 PolarHBondContact O-OG1 3.1Å; M305-T307 VanDerWaalsContact C-N 3.31Å; M305-T307 PolarHBondContact O-N 3.15Å
308T94.4Very high95.5Very high13 Ų1348.2 Ų48.28%0.0826%0.261CS..  trans-71.7133.2-178.9-171.20000111.7A304 S310 Q313 F314 Y317 S346A304-T308 WeakPolarHBondContact O-CB 3.33Å; A304-T308 WeakPolarHBondContact O-CG2 3.11Å; A304-T308 PolarHBondContact O-N 2.81Å; T308-S310 PolarHBondContact OG1-N 3.05Å; T308-Q313 HydrophobicContact CG2-CB 4.31Å; T308-Q313 WeakPolarHBondContact OG1-CB 3.48Å; T308-Q313 PolarHBondContact OG1-OE1 3.5Å; T308-F314 HydrophobicContact CG2-CB 3.91Å; T308-F314 HydrophobicContact CG2-CD2 4.42Å; T308-Y317 HydrophobicContact CG2-CD2 4.47Å; T308-S346 WeakPolarHBondContact O-CB 3.24Å; T308-S346 PolarHBondContact O-N 3.34Å
309V91.1Very high95.6Very high89 Ų8953.9 Ų53.954%0.53929%0.288SS..  trans-87.4-12.3173.8-63.20000112.5P311 A345 S346 L349V309-P311 WeakPolarHBondContact O-CD 3.38Å; V309-A345 HydrophobicContact CG1-CB 4.25Å; V309-S346 WeakPolarHBondContact O-CA 3.3Å; V309-S346 WeakPolarHBondContact O-CB 3.37Å; V309-L349 HydrophobicContact CB-CD2 4.37Å; V309-L349 HydrophobicContact CG1-CD2 4.23Å
310S92.5Very high95.7Very high36 Ų3658.5 Ų58.525%0.25230%0.304SS..  trans-89.6122.2-179.1171.70000110.7T308 L312 Q313 F314T308-S310 PolarHBondContact OG1-N 3.05Å; S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 3.03Å; S310-L312 PolarHBondContact OG-N 2.94Å; S310-Q313 PolarHBondContact O-N 2.77Å; S310-Q313 PolarHBondContact OG-N 3.35Å; S310-F314 PolarHBondContact O-N 2.92Å
311P92.9Very high95.8Very high78 Ų7856.1 Ų56.151%0.50628%0.284SS..Hα-helixtrans-57.5-39.9172.7-25.835.5000112.7V309 Q313 F314 D315V309-P311 WeakPolarHBondContact O-CD 3.38Å; P311-Q313 PolarHBondContact O-N 2.61Å; P311-F314 WeakPolarHBondContact O-CB 3.45Å; P311-F314 PolarHBondContact O-N 2.84Å; P311-D315 PolarHBondContact O-N 2.82Å
312L94.6Very high95.8Very high141 Ų14159 Ų5974%0.73830%0.296SS*.Hα-helixtrans-64.4-42.1178.3-65.1174.6000112.2S310 F314 D315 Y316S310-L312 VanDerWaalsContact C-N 3.28Å; S310-L312 PolarHBondContact O-N 3.03Å; S310-L312 PolarHBondContact OG-N 2.94Å; L312-F314 VanDerWaalsContact C-N 3.32Å; L312-D315 PolarHBondContact O-N 3.09Å; L312-Y316 WeakPolarHBondContact O-CB 3.46Å; L312-Y316 PolarHBondContact O-N 3.46Å
313Q96.5Very high95.7Very high96 Ų9664.5 Ų64.545%0.44933%0.326SS..Hα-helixtrans-68-34.5174.8-70.2-173.4-8.200112.1T308 S310 P311 Y316 Y317T308-Q313 HydrophobicContact CG2-CB 4.31Å; T308-Q313 WeakPolarHBondContact OG1-CB 3.48Å; T308-Q313 PolarHBondContact OG1-OE1 3.5Å; S310-Q313 PolarHBondContact O-N 2.77Å; S310-Q313 PolarHBondContact OG-N 3.35Å; P311-Q313 PolarHBondContact O-N 2.61Å; Q313-Y316 WeakPolarHBondContact O-CB 3.4Å; Q313-Y316 PolarHBondContact O-N 3.19Å; Q313-Y317 HydrophobicContact CB-CD2 4.48Å; Q313-Y317 HydrophobicContact CB-CE2 4.15Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.32Å; Q313-Y317 PolarHBondContact O-N 3.02Å
314F97.5Very high95.6Very high2 Ų264 Ų641%0.00933%0.328CS..Hα-helixtrans-58.3-50.4174.8-178.4-81.5000110.7M305 T308 S310 P311 L312 Y316 Y317 L318 I337 K340 W343 A344M305-F314 HydrophobicContact CB-CD2 3.99Å; M305-F314 HydrophobicContact CB-CE2 3.8Å; M305-F314 HydrophobicContact CE-CE1 3.97Å; M305-F314 HydrophobicContact CE-CE2 3.97Å; M305-F314 HydrophobicContact CE-CZ 3.54Å; M305-F314 HydrophobicContact CG-CD2 4.49Å; M305-F314 HydrophobicContact CG-CE2 4.44Å; M305-F314 WeakPolarHBondContact O-CD2 3.35Å; T308-F314 HydrophobicContact CG2-CB 3.91Å; T308-F314 HydrophobicContact CG2-CD2 4.42Å; S310-F314 PolarHBondContact O-N 2.92Å; P311-F314 WeakPolarHBondContact O-CB 3.45Å; P311-F314 PolarHBondContact O-N 2.84Å; L312-F314 VanDerWaalsContact C-N 3.32Å; F314-Y316 VanDerWaalsContact C-N 3.33Å; F314-Y316 PolarHBondContact O-N 2.81Å; F314-Y317 PolarHBondContact O-N 3.05Å; F314-L318 HydrophobicContact CE1-CD2 4.47Å; F314-L318 PolarHBondContact O-N 2.8Å; F314-I337 HydrophobicContact CE1-CD1 4.16Å; F314-I337 HydrophobicContact CZ-CD1 4.02Å; F314-K340 HydrophobicContact CD1-CD 4.36Å; F314-K340 HydrophobicContact CE1-CD 3.62Å; F314-K340 HydrophobicContact CE2-CD 4.16Å; F314-K340 HydrophobicContact CE2-CG 4.4Å; F314-K340 HydrophobicContact CZ-CD 3.5Å; F314-K340 HydrophobicContact CZ-CG 4Å; F314-W343 AromaticContact CE2-CH2 3.69Å; F314-W343 HydrophobicContact CE2-CH2 3.69Å; F314-W343 HydrophobicContact CE2-CZ2 4.39Å; F314-W343 HydrophobicContact CE2-CZ3 4.06Å; F314-W343 AromaticContact CZ-CH2 3.92Å; F314-W343 HydrophobicContact CZ-CH2 3.92Å; F314-W343 HydrophobicContact CZ-CZ2 4.3Å; F314-A344 HydrophobicContact CD2-CB 4.01Å; F314-A344 HydrophobicContact CE2-CB 3.52Å; F314-A344 HydrophobicContact CZ-CB 4.33Å
315D97.2Very high95.4Very high87 Ų8764.5 Ų64.547%0.46533%0.33SS..Hα-helixtrans-64.2-39.7180-65.9-25.5000111.4P311 L312 Y317 L318 E319P311-D315 PolarHBondContact O-N 2.82Å; L312-D315 PolarHBondContact O-N 3.09Å; D315-Y317 PolarHBondContact O-N 3.35Å; D315-L318 PolarHBondContact O-N 2.67Å; D315-E319 PolarHBondContact O-N 3.03Å
316Y97.8Very high95.2Very high103 Ų10368.7 Ų68.740%0.40436%0.356SS..Hα-helixtrans-56.6-47.4172.6171.7-99.5000112.6L312 Q313 F314 E319 R320L312-Y316 WeakPolarHBondContact O-CB 3.46Å; L312-Y316 PolarHBondContact O-N 3.46Å; Q313-Y316 WeakPolarHBondContact O-CB 3.4Å; Q313-Y316 PolarHBondContact O-N 3.19Å; F314-Y316 VanDerWaalsContact C-N 3.33Å; F314-Y316 PolarHBondContact O-N 2.81Å; Y316-E319 PolarHBondContact O-N 2.74Å; Y316-R320 HydrophobicContact CD1-CG 4.41Å; Y316-R320 HydrophobicContact CE1-CG 4.03Å; Y316-R320 HydrophobicContact CE2-CG 4.22Å; Y316-R320 VanDerWaalsContact CZ-NE 3.3Å; Y316-R320 VanDerWaalsContact O-CG 3.31Å; Y316-R320 WeakPolarHBondContact O-CG 3.07Å; Y316-R320 PolarHBondContact O-N 3.15Å; Y316-R320 PolarHBondContact OH-NE 3.04Å; Y316-R320 PolarHBondContact OH-NH2 3.44Å
317Y97.8Very high95.1Very high59 Ų5974.8 Ų74.823%0.23139%0.389CS..Hα-helixtrans-70.4-32.6179.3-68.1-55.1000112.9F301 A304 T308 Q313 F314 D315 E319 R320 L321F301-Y317 AromaticContact CD1-CD1 3.85Å; F301-Y317 HydrophobicContact CD1-CD1 3.85Å; F301-Y317 HydrophobicContact CD1-CE1 4.38Å; F301-Y317 HydrophobicContact CE1-CD1 4.47Å; A304-Y317 HydrophobicContact CB-CD1 4Å; A304-Y317 HydrophobicContact CB-CD2 3.63Å; A304-Y317 HydrophobicContact CB-CE1 3.95Å; A304-Y317 HydrophobicContact CB-CE2 3.58Å; A304-Y317 HydrophobicContact CB-CG 3.85Å; T308-Y317 HydrophobicContact CG2-CD2 4.47Å; Q313-Y317 HydrophobicContact CB-CD2 4.48Å; Q313-Y317 HydrophobicContact CB-CE2 4.15Å; Q313-Y317 WeakPolarHBondContact O-CD2 3.32Å; Q313-Y317 PolarHBondContact O-N 3.02Å; F314-Y317 PolarHBondContact O-N 3.05Å; D315-Y317 PolarHBondContact O-N 3.35Å; Y317-E319 VanDerWaalsContact C-N 3.33Å; Y317-R320 PolarHBondContact O-N 2.65Å; Y317-L321 WeakPolarHBondContact O-CB 3.32Å; Y317-L321 PolarHBondContact O-N 2.87Å
318L97.3Very high95.2Very high30 Ų3071.6 Ų71.616%0.15737%0.37CS..Hα-helixtrans-63.2-41.1173.1-179.259.5000111.4M305 F314 D315 L321 K322 Y329 V332 V333 I337M305-L318 HydrophobicContact CE-CB 3.94Å; M305-L318 HydrophobicContact CE-CD1 3.77Å; M305-L318 HydrophobicContact CE-CG 4.35Å; M305-L318 HydrophobicContact SD-CB 4.36Å; F314-L318 HydrophobicContact CE1-CD2 4.47Å; F314-L318 PolarHBondContact O-N 2.8Å; D315-L318 PolarHBondContact O-N 2.67Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 3.16Å; L318-K322 PolarHBondContact O-N 2.87Å; L318-K322 VanDerWaalsContact O-N 3.11Å; L318-Y329 HydrophobicContact CD1-CD2 3.92Å; L318-Y329 HydrophobicContact CD1-CE2 3.77Å; L318-Y329 HydrophobicContact CG-CE2 4.08Å; L318-V332 HydrophobicContact CD1-CG1 4.28Å; L318-V333 HydrophobicContact CD1-CG2 4.45Å; L318-I337 HydrophobicContact CD1-CD1 4.42Å; L318-I337 HydrophobicContact CD2-CD1 4.19Å
319E97.1Very high95.3Very high119 Ų11973.4 Ų73.456%0.55638%0.375SS*.Hα-helixtrans-65.9-43.8174.7-167-171.4168.400111.7D315 Y316 Y317 L321 K322 N323D315-E319 PolarHBondContact O-N 3.03Å; Y316-E319 PolarHBondContact O-N 2.74Å; Y317-E319 VanDerWaalsContact C-N 3.33Å; E319-L321 VanDerWaalsContact C-N 3.27Å; E319-L321 PolarHBondContact O-N 3.22Å; E319-K322 VanDerWaalsContact O-CB 3.31Å; E319-K322 WeakPolarHBondContact O-CB 3.38Å; E319-K322 PolarHBondContact O-N 2.84Å; E319-K322 VanDerWaalsContact O-N 3.16Å; E319-N323 PolarHBondContact O-N 3.12Å; E319-N323 VanDerWaalsContact O-N 3.1Å; E319-N323 PolarHBondContact O-ND2 3.15Å
320R97.1Very high95.5Very high114 Ų11473.1 Ų73.143%0.4337%0.371SS..Hα-helixtrans-60.6-37.5174.5-68.5-64.9-171.5169.52112.2F301 Y316 Y317 N323 T324F301-R320 HydrophobicContact CD1-CB 4.24Å; F301-R320 HydrophobicContact CD2-CB 3.99Å; F301-R320 HydrophobicContact CE1-CB 4.15Å; F301-R320 HydrophobicContact CE2-CB 3.87Å; F301-R320 HydrophobicContact CG-CB 4.18Å; F301-R320 HydrophobicContact CZ-CB 3.96Å; F301-R320 HydrophobicContact CZ-CG 4.5Å; Y316-R320 HydrophobicContact CD1-CG 4.41Å; Y316-R320 HydrophobicContact CE1-CG 4.03Å; Y316-R320 HydrophobicContact CE2-CG 4.22Å; Y316-R320 VanDerWaalsContact CZ-NE 3.3Å; Y316-R320 VanDerWaalsContact O-CG 3.31Å; Y316-R320 WeakPolarHBondContact O-CG 3.07Å; Y316-R320 PolarHBondContact O-N 3.15Å; Y316-R320 PolarHBondContact OH-NE 3.04Å; Y316-R320 PolarHBondContact OH-NH2 3.44Å; Y317-R320 PolarHBondContact O-N 2.65Å; R320-N323 PolarHBondContact O-N 3.13Å; R320-T324 WeakPolarHBondContact O-CB 3.32Å; R320-T324 PolarHBondContact O-N 3.33Å; R320-T324 PolarHBondContact O-OG1 2.69Å
321L96.2Very high95.7Very high0 Ų074.3 Ų74.30%037%0.37CS..Hα-helixtrans-62.3-44.7175.3-17568.2000111.1F289 A298 M305 Y317 L318 E319 N323 T324 S325 A328 V332F289-L321 HydrophobicContact CZ-CD1 4.35Å; A298-L321 HydrophobicContact CB-CD1 3.56Å; M305-L321 HydrophobicContact SD-CD2 4.36Å; Y317-L321 WeakPolarHBondContact O-CB 3.32Å; Y317-L321 PolarHBondContact O-N 2.87Å; L318-L321 WeakPolarHBondContact O-CB 3.38Å; L318-L321 PolarHBondContact O-N 3.16Å; E319-L321 VanDerWaalsContact C-N 3.27Å; E319-L321 PolarHBondContact O-N 3.22Å; L321-N323 VanDerWaalsContact C-N 3.3Å; L321-N323 PolarHBondContact O-N 2.8Å; L321-T324 PolarHBondContact O-N 3.31Å; L321-T324 VanDerWaalsContact O-N 3.12Å; L321-S325 PolarHBondContact O-N 3.24Å; L321-A328 HydrophobicContact CD1-CB 4.2Å; L321-V332 HydrophobicContact CD2-CB 3.97Å; L321-V332 HydrophobicContact CD2-CG1 4.26Å; L321-V332 HydrophobicContact CD2-CG2 3.73Å
322K96.5Very high95.8Very high107 Ų10770.6 Ų70.647%0.46535%0.346SS..Hα-helixtrans-54.7-45.8174.7-169.1179.6178.3-179.80112.1L318 E319 T324 Y329L318-K322 PolarHBondContact O-N 2.87Å; L318-K322 VanDerWaalsContact O-N 3.11Å; E319-K322 VanDerWaalsContact O-CB 3.31Å; E319-K322 WeakPolarHBondContact O-CB 3.38Å; E319-K322 PolarHBondContact O-N 2.84Å; E319-K322 VanDerWaalsContact O-N 3.16Å; K322-T324 VanDerWaalsContact C-N 3.28Å; K322-T324 PolarHBondContact O-N 2.78Å; K322-Y329 HydrophobicContact CB-CD1 4.34Å; K322-Y329 HydrophobicContact CB-CD2 3.52Å; K322-Y329 HydrophobicContact CB-CE2 3.81Å; K322-Y329 HydrophobicContact CB-CG 3.8Å; K322-Y329 HydrophobicContact CD-CD1 4.49Å; K322-Y329 HydrophobicContact CD-CE1 4.07Å; K322-Y329 HydrophobicContact CD-CE2 4.13Å; K322-Y329 HydrophobicContact CG-CD1 3.93Å; K322-Y329 HydrophobicContact CG-CD2 4Å; K322-Y329 HydrophobicContact CG-CE1 4.02Å; K322-Y329 HydrophobicContact CG-CE2 4.09Å; K322-Y329 HydrophobicContact CG-CG 3.91Å
323N94.2Very high95.9Very high116 Ų11666.5 Ų66.562%0.6233%0.327SS*.Hα-helixtrans-74.2-18.6-178.7-63.9-21.8000113.3E319 R320 L321E319-N323 PolarHBondContact O-N 3.12Å; E319-N323 VanDerWaalsContact O-N 3.1Å; E319-N323 PolarHBondContact O-ND2 3.15Å; R320-N323 PolarHBondContact O-N 3.13Å; L321-N323 VanDerWaalsContact C-N 3.3Å; L321-N323 PolarHBondContact O-N 2.8Å
324T93.6Very high95.9Very high58 Ų5865.8 Ų65.836%0.35633%0.332SS..Hα-helixtrans-93.1-41.3-178.1-57.20000112.4T297 A298 F301 R320 L321 K322T297-T324 HydrophobicContact CG2-CG2 4Å; A298-T324 HydrophobicContact CB-CG2 4.37Å; F301-T324 VanDerWaalsContact CE2-OG1 3.29Å; F301-T324 WeakPolarHBondContact CE2-OG1 3.21Å; R320-T324 WeakPolarHBondContact O-CB 3.32Å; R320-T324 PolarHBondContact O-N 3.33Å; R320-T324 PolarHBondContact O-OG1 2.69Å; L321-T324 PolarHBondContact O-N 3.31Å; L321-T324 VanDerWaalsContact O-N 3.12Å; K322-T324 VanDerWaalsContact C-N 3.28Å; K322-T324 PolarHBondContact O-N 2.78Å
325S93.2Very high95.6Very high31 Ų3168.4 Ų68.422%0.21735%0.349CS..  trans-156.4107.3179.9176.10000110.6L321 N327 A328 Y329L321-S325 PolarHBondContact O-N 3.24Å; S325-N327 VanDerWaalsContact C-N 3.26Å; S325-N327 PolarHBondContact O-N 3.31Å; S325-A328 PolarHBondContact O-N 3.34Å; S325-A328 WeakPolarHBondContact OG-CB 3.05Å; S325-A328 PolarHBondContact OG-N 2.92Å; S325-Y329 WeakPolarHBondContact O-CB 3.47Å; S325-Y329 PolarHBondContact O-N 3.11Å
326T93.2Very high95.5Very high88 Ų8864.7 Ų64.754%0.5433%0.328SS..Hα-helixtrans-58.1-38.7176.7-48.30000111.9Y329 N330T326-Y329 PolarHBondContact O-N 3.09Å; T326-N330 WeakPolarHBondContact O-CB 3.34Å; T326-N330 PolarHBondContact O-N 2.9Å; T326-N330 PolarHBondContact O-ND2 3.26Å
327N93.5Very high95.4Very high131 Ų13162.1 Ų62.170%0.70132%0.321SS*.Hα-helixtrans-65.5-45.9178.1-71-10.2000111.8S325 Y329 N330 Y331S325-N327 VanDerWaalsContact C-N 3.26Å; S325-N327 PolarHBondContact O-N 3.31Å; N327-Y329 VanDerWaalsContact C-N 3.34Å; N327-Y329 PolarHBondContact O-N 3.01Å; N327-N330 PolarHBondContact O-N 3.05Å; N327-Y331 WeakPolarHBondContact O-CB 3.42Å; N327-Y331 PolarHBondContact O-N 3.29Å
328A94.9Very high95.2Very high6 Ų664 Ų645%0.0534%0.34CS..Hα-helixtrans-64.1-41.6177.600000111.5F289 A298 L321 S325 Y331 V332F289-A328 HydrophobicContact CE2-CB 4.23Å; F289-A328 HydrophobicContact CZ-CB 3.93Å; A298-A328 HydrophobicContact CB-CB 4.26Å; L321-A328 HydrophobicContact CD1-CB 4.2Å; S325-A328 PolarHBondContact O-N 3.34Å; S325-A328 WeakPolarHBondContact OG-CB 3.05Å; S325-A328 PolarHBondContact OG-N 2.92Å; A328-Y331 PolarHBondContact O-N 2.83Å; A328-V332 WeakPolarHBondContact O-CG2 3.42Å; A328-V332 PolarHBondContact O-N 3.14Å
329Y96.8Very high95Very high50 Ų5064.5 Ų64.520%0.19634%0.343CS..Hα-helixtrans-60.5-49.3174.2172-97.6000112.1L318 K322 S325 T326 N327 Y331 V332 V333L318-Y329 HydrophobicContact CD1-CD2 3.92Å; L318-Y329 HydrophobicContact CD1-CE2 3.77Å; L318-Y329 HydrophobicContact CG-CE2 4.08Å; K322-Y329 HydrophobicContact CB-CD1 4.34Å; K322-Y329 HydrophobicContact CB-CD2 3.52Å; K322-Y329 HydrophobicContact CB-CE2 3.81Å; K322-Y329 HydrophobicContact CB-CG 3.8Å; K322-Y329 HydrophobicContact CD-CD1 4.49Å; K322-Y329 HydrophobicContact CD-CE1 4.07Å; K322-Y329 HydrophobicContact CD-CE2 4.13Å; K322-Y329 HydrophobicContact CG-CD1 3.93Å; K322-Y329 HydrophobicContact CG-CD2 4Å; K322-Y329 HydrophobicContact CG-CE1 4.02Å; K322-Y329 HydrophobicContact CG-CE2 4.09Å; K322-Y329 HydrophobicContact CG-CG 3.91Å; S325-Y329 WeakPolarHBondContact O-CB 3.47Å; S325-Y329 PolarHBondContact O-N 3.11Å; T326-Y329 PolarHBondContact O-N 3.09Å; N327-Y329 VanDerWaalsContact C-N 3.34Å; N327-Y329 PolarHBondContact O-N 3.01Å; Y329-Y331 VanDerWaalsContact C-N 3.28Å; Y329-Y331 PolarHBondContact O-N 2.97Å; Y329-V332 PolarHBondContact O-N 2.87Å; Y329-V332 VanDerWaalsContact O-N 3.1Å; Y329-V333 HydrophobicContact CD1-CG2 4.28Å; Y329-V333 HydrophobicContact CD2-CG2 4.03Å; Y329-V333 HydrophobicContact CE1-CG2 3.88Å; Y329-V333 HydrophobicContact CE2-CG2 3.6Å; Y329-V333 HydrophobicContact CG-CG2 4.36Å; Y329-V333 WeakPolarHBondContact O-CG2 3.33Å; Y329-V333 PolarHBondContact O-N 2.93Å
330N96.2Very high94.9Very high84 Ų8462 Ų6245%0.44933%0.33SS..Hα-helixtrans-60.3-39.5178.7-71.9-14.9000111.7T326 N327 S334T326-N330 WeakPolarHBondContact O-CB 3.34Å; T326-N330 PolarHBondContact O-N 2.9Å; T326-N330 PolarHBondContact O-ND2 3.26Å; N327-N330 PolarHBondContact O-N 3.05Å; N330-S334 WeakPolarHBondContact O-CB 3.41Å; N330-S334 PolarHBondContact O-N 2.81Å; N330-S334 PolarHBondContact O-OG 2.92Å
331Y95.1Very high94.8Very high60 Ų6063.2 Ų63.224%0.23534%0.339CS..Hα-helixtrans-62.5-45.8173.4175.7-113.1000111.9F289 K292 N327 A328 Y329 S334 T335 W336F289-Y331 AromaticContact CD2-CD1 3.73Å; F289-Y331 HydrophobicContact CD2-CD1 3.73Å; F289-Y331 AromaticContact CD2-CE1 3.81Å; F289-Y331 HydrophobicContact CD2-CE1 3.81Å; F289-Y331 HydrophobicContact CE2-CD1 4Å; K292-Y331 HydrophobicContact CB-CD1 4.41Å; K292-Y331 HydrophobicContact CB-CE1 4.06Å; K292-Y331 HydrophobicContact CG-CE1 4.22Å; K292-Y331 HydrophobicContact CG-CE2 4.39Å; N327-Y331 WeakPolarHBondContact O-CB 3.42Å; N327-Y331 PolarHBondContact O-N 3.29Å; A328-Y331 PolarHBondContact O-N 2.83Å; Y329-Y331 VanDerWaalsContact C-N 3.28Å; Y329-Y331 PolarHBondContact O-N 2.97Å; Y331-S334 PolarHBondContact O-N 3.26Å; Y331-S334 PolarHBondContact O-OG 3.07Å; Y331-S334 VanDerWaalsContact O-OG 3.12Å; Y331-T335 WeakPolarHBondContact CD2-OG1 3.31Å; Y331-T335 HydrophobicContact CE2-CG2 4.12Å; Y331-T335 WeakPolarHBondContact CE2-OG1 3.46Å; Y331-T335 WeakPolarHBondContact O-CB 3.4Å; Y331-T335 PolarHBondContact O-N 3.05Å; Y331-T335 PolarHBondContact O-OG1 3.21Å; Y331-T335 VanDerWaalsContact O-OG1 3.09Å; Y331-W336 AromaticContact CE1-CD1 3.96Å; Y331-W336 AromaticContact CE1-NE1 3.35Å; Y331-W336 AromaticContact CZ-NE1 3.6Å
332V96Very high94.7Very high0 Ų064.6 Ų64.60%035%0.345CS..Iπ-helixtrans-63.3-46.5178.1169.30000112.2F289 F302 M305 L318 L321 A328 Y329 S334 W336 I337F289-V332 HydrophobicContact CD2-CG2 3.79Å; F289-V332 HydrophobicContact CE2-CG2 3.45Å; F289-V332 VanDerWaalsContact CE2-CG2 3.45Å; F289-V332 HydrophobicContact CZ-CG2 4.35Å; F302-V332 HydrophobicContact CD2-CG1 4.21Å; F302-V332 HydrophobicContact CD2-CG2 3.62Å; F302-V332 HydrophobicContact CE2-CB 4.43Å; F302-V332 HydrophobicContact CE2-CG1 3.92Å; F302-V332 HydrophobicContact CE2-CG2 3.61Å; F302-V332 HydrophobicContact CG-CG2 4.5Å; F302-V332 HydrophobicContact CZ-CG2 4.47Å; M305-V332 HydrophobicContact CE-CG1 4.12Å; L318-V332 HydrophobicContact CD1-CG1 4.28Å; L321-V332 HydrophobicContact CD2-CB 3.97Å; L321-V332 HydrophobicContact CD2-CG1 4.26Å; L321-V332 HydrophobicContact CD2-CG2 3.73Å; A328-V332 WeakPolarHBondContact O-CG2 3.42Å; A328-V332 PolarHBondContact O-N 3.14Å; Y329-V332 PolarHBondContact O-N 2.87Å; Y329-V332 VanDerWaalsContact O-N 3.1Å; V332-S334 PolarHBondContact O-N 3.09Å; V332-W336 HydrophobicContact CG1-CB 4.4Å; V332-W336 WeakPolarHBondContact O-CA 3.47Å; V332-W336 WeakPolarHBondContact O-CB 3.38Å; V332-W336 PolarHBondContact O-N 3.1Å; V332-I337 HydrophobicContact CG1-CD1 4.26Å; V332-I337 HydrophobicContact CG1-CG1 4.17Å; V332-I337 PolarHBondContact O-N 3.22Å
333V97Very high94.5Very high55 Ų5559.8 Ų59.833%0.33332%0.324SS..Iπ-helixtrans-64.8-39.9-179.7173.80000112.1L318 Y329 I337 P338L318-V333 HydrophobicContact CD1-CG2 4.45Å; Y329-V333 HydrophobicContact CD1-CG2 4.28Å; Y329-V333 HydrophobicContact CD2-CG2 4.03Å; Y329-V333 HydrophobicContact CE1-CG2 3.88Å; Y329-V333 HydrophobicContact CE2-CG2 3.6Å; Y329-V333 HydrophobicContact CG-CG2 4.36Å; Y329-V333 WeakPolarHBondContact O-CG2 3.33Å; Y329-V333 PolarHBondContact O-N 2.93Å; V333-I337 HydrophobicContact CG2-CG1 4.35Å; V333-P338 WeakPolarHBondContact O-CD 3.39Å
334S95Very high94.6Very high81 Ų8154.3 Ų54.357%0.56630%0.295SS*.Iπ-helixtrans-76.5-36.6179.755.50000113.5N330 Y331 V332N330-S334 WeakPolarHBondContact O-CB 3.41Å; N330-S334 PolarHBondContact O-N 2.81Å; N330-S334 PolarHBondContact O-OG 2.92Å; Y331-S334 PolarHBondContact O-N 3.26Å; Y331-S334 PolarHBondContact O-OG 3.07Å; Y331-S334 VanDerWaalsContact O-OG 3.12Å; V332-S334 PolarHBondContact O-N 3.09Å
335T92.3Very high94.5Very high57 Ų5752.9 Ų52.935%0.3529%0.289SS..Iπ-helixtrans-101.5-42.7-168.8-52.90000112.9Y331Y331-T335 WeakPolarHBondContact CD2-OG1 3.31Å; Y331-T335 HydrophobicContact CE2-CG2 4.12Å; Y331-T335 WeakPolarHBondContact CE2-OG1 3.46Å; Y331-T335 WeakPolarHBondContact O-CB 3.4Å; Y331-T335 PolarHBondContact O-N 3.05Å; Y331-T335 PolarHBondContact O-OG1 3.21Å; Y331-T335 VanDerWaalsContact O-OG1 3.09Å
336W94Very high94.6Very high10 Ų1052 Ų524%0.03828%0.283CS..Iπ-helixtrans-106.4-33.8-165.9-64.8102.6000113.8I263 I285 F302 Y331 V332 I339 K340 W343I263-W336 HydrophobicContact CD1-CH2 3.53Å; I263-W336 HydrophobicContact CD1-CZ3 3.74Å; I285-W336 HydrophobicContact CB-CH2 4.37Å; I285-W336 HydrophobicContact CB-CZ3 4.25Å; I285-W336 HydrophobicContact CG1-CH2 4.28Å; I285-W336 HydrophobicContact CG1-CZ3 3.92Å; I285-W336 HydrophobicContact CG2-CD2 4.32Å; I285-W336 HydrophobicContact CG2-CE3 3.88Å; I285-W336 HydrophobicContact CG2-CH2 4.02Å; I285-W336 HydrophobicContact CG2-CZ2 4.45Å; I285-W336 HydrophobicContact CG2-CZ3 3.73Å; F302-W336 HydrophobicContact CE2-CB 4.4Å; F302-W336 HydrophobicContact CE2-CG 4.34Å; F302-W336 HydrophobicContact CZ-CB 4.39Å; F302-W336 HydrophobicContact CZ-CD2 4.22Å; F302-W336 AromaticContact CZ-CG 3.95Å; F302-W336 HydrophobicContact CZ-CG 3.95Å; Y331-W336 AromaticContact CE1-CD1 3.96Å; Y331-W336 AromaticContact CE1-NE1 3.35Å; Y331-W336 AromaticContact CZ-NE1 3.6Å; V332-W336 HydrophobicContact CG1-CB 4.4Å; V332-W336 WeakPolarHBondContact O-CA 3.47Å; V332-W336 WeakPolarHBondContact O-CB 3.38Å; V332-W336 PolarHBondContact O-N 3.1Å; W336-I339 HydrophobicContact CE3-CD1 4.06Å; W336-I339 HydrophobicContact CZ3-CD1 4.25Å; W336-I339 CarbonylContact O-C 3.55Å; W336-I339 WeakPolarHBondContact O-CG1 3.37Å; W336-I339 PolarHBondContact O-N 3.29Å; W336-K340 PolarHBondContact O-N 3.45Å; W336-W343 HydrophobicContact CB-CZ2 4.01Å; W336-W343 PolarHBondContact O-NE1 2.92Å
337I95.9Very high94.6Very high49 Ų4949 Ų4925%0.25127%0.265SS..G310 helixtrans-62-40177.9-64.4-60.1000113.1M305 F314 L318 V332 V333 I339 K340M305-I337 HydrophobicContact CE-CD1 4.46Å; F314-I337 HydrophobicContact CE1-CD1 4.16Å; F314-I337 HydrophobicContact CZ-CD1 4.02Å; L318-I337 HydrophobicContact CD1-CD1 4.42Å; L318-I337 HydrophobicContact CD2-CD1 4.19Å; V332-I337 HydrophobicContact CG1-CD1 4.26Å; V332-I337 HydrophobicContact CG1-CG1 4.17Å; V332-I337 PolarHBondContact O-N 3.22Å; V333-I337 HydrophobicContact CG2-CG1 4.35Å; I337-I339 PolarHBondContact O-N 3.14Å; I337-I339 VanDerWaalsContact O-N 3.14Å; I337-K340 VanDerWaalsContact O-CB 3.27Å; I337-K340 WeakPolarHBondContact O-CB 3.25Å; I337-K340 PolarHBondContact O-N 3.48Å
338P94.7Very high94.6Very high98 Ų9843.6 Ų43.664%0.63624%0.238SC*.G310 helixtrans-58.5-29.7178-26.736.7000113.4V333V333-P338 WeakPolarHBondContact O-CD 3.39Å
339I93.3Very high94.4Very high41 Ų4146.7 Ų46.721%0.2125%0.253CS..G310 helixtrans-10722.2179.460.8171.6000112.9L266 L280 W336 I337 K341 M342L266-I339 HydrophobicContact CD1-CD1 3.96Å; L266-I339 HydrophobicContact CD1-CG2 4.31Å; L280-I339 HydrophobicContact CD1-CD1 4.3Å; W336-I339 HydrophobicContact CE3-CD1 4.06Å; W336-I339 HydrophobicContact CZ3-CD1 4.25Å; W336-I339 CarbonylContact O-C 3.55Å; W336-I339 WeakPolarHBondContact O-CG1 3.37Å; W336-I339 PolarHBondContact O-N 3.29Å; I337-I339 PolarHBondContact O-N 3.14Å; I337-I339 VanDerWaalsContact O-N 3.14Å; I339-K341 PolarHBondContact O-N 3.29Å; I339-K341 VanDerWaalsContact O-N 3.07Å; I339-M342 HydrophobicContact CB-CG 4.42Å; I339-M342 HydrophobicContact CB-SD 4.02Å; I339-M342 HydrophobicContact CG2-SD 4.23Å; I339-M342 WeakPolarHBondContact O-CB 3.28Å; I339-M342 PolarHBondContact O-N 2.89Å
340K94.9Very high94.1Very high66 Ų6647.9 Ų47.929%0.28726%0.263SS..G310 helixtrans-49-39-176.9-174.9177.972.7168.50113.9F314 W336 I337 M342 W343 A344 S347F314-K340 HydrophobicContact CD1-CD 4.36Å; F314-K340 HydrophobicContact CE1-CD 3.62Å; F314-K340 HydrophobicContact CE2-CD 4.16Å; F314-K340 HydrophobicContact CE2-CG 4.4Å; F314-K340 HydrophobicContact CZ-CD 3.5Å; F314-K340 HydrophobicContact CZ-CG 4Å; W336-K340 PolarHBondContact O-N 3.45Å; I337-K340 VanDerWaalsContact O-CB 3.27Å; I337-K340 WeakPolarHBondContact O-CB 3.25Å; I337-K340 PolarHBondContact O-N 3.48Å; K340-M342 PolarHBondContact O-N 3.17Å; K340-M342 VanDerWaalsContact O-N 3.09Å; K340-W343 PolarHBondContact O-N 3.09Å; K340-A344 HydrophobicContact CD-CB 4.36Å; K340-A344 HydrophobicContact CG-CB 3.6Å; K340-A344 PolarHBondContact O-N 3.36Å; K340-S347 VanDerWaalsContact CE-OG 3.26Å; K340-S347 WeakPolarHBondContact CE-OG 3.47Å
341K94.1Very high94Very high140 Ų14044 Ų4461%0.60924%0.243SC*.G310 helixtrans-65.2-7.2179.6-67.4-171.8178.7-176.30114.6I339 C348I339-K341 PolarHBondContact O-N 3.29Å; I339-K341 VanDerWaalsContact O-N 3.07Å; K341-C348 PolarHBondContact O-SG 3.17Å; K341-C348 VanDerWaalsContact O-SG 3.36Å
342M94.2Very high94Very high29 Ų2942.3 Ų42.314%0.14324%0.237CC..G310 helixtrans-98.9-9.1178.2-56.2-177.6170.400112.9L266 I278 L279 L280 I339 K340L266-M342 HydrophobicContact CD1-SD 3.82Å; L266-M342 HydrophobicContact CD2-SD 4.37Å; I278-M342 HydrophobicContact CB-CE 4.26Å; I278-M342 HydrophobicContact CB-SD 4.34Å; I278-M342 HydrophobicContact CD1-CE 4.34Å; I278-M342 HydrophobicContact CG2-SD 4.42Å; I278-M342 VanDerWaalsContact O-CA 3.3Å; I278-M342 WeakPolarHBondContact O-CA 3.36Å; I278-M342 VanDerWaalsContact O-CB 3.31Å; I278-M342 WeakPolarHBondContact O-CB 3.25Å; I278-M342 WeakPolarHBondContact O-CG 3.32Å; L279-M342 CarbonylContact C-O 3.51Å; L279-M342 WeakPolarHBondContact CA-O 3.24Å; L280-M342 HydrophobicContact CD1-CB 4.23Å; L280-M342 HydrophobicContact CG-CB 4.07Å; L280-M342 PolarHBondContact N-O 2.84Å; I339-M342 HydrophobicContact CB-CG 4.42Å; I339-M342 HydrophobicContact CB-SD 4.02Å; I339-M342 HydrophobicContact CG2-SD 4.23Å; I339-M342 WeakPolarHBondContact O-CB 3.28Å; I339-M342 PolarHBondContact O-N 2.89Å; K340-M342 PolarHBondContact O-N 3.17Å; K340-M342 VanDerWaalsContact O-N 3.09Å
343W93.3Very high93.8Very high6 Ų643.3 Ų43.32%0.02324%0.244CC..THydrogen-bonded Turntrans-148.5-30.8-169.868.1-98.1000117.1I285 F302 M305 I306 F314 W336 K340 A345I285-W343 HydrophobicContact CD1-CB 3.24Å; I285-W343 HydrophobicContact CD1-CG 4.04Å; F302-W343 AromaticContact CE2-CH2 3.89Å; F302-W343 HydrophobicContact CE2-CH2 3.89Å; F302-W343 HydrophobicContact CE2-CZ2 4.31Å; F302-W343 HydrophobicContact CE2-CZ3 4.43Å; F302-W343 HydrophobicContact CZ-CH2 4.37Å; M305-W343 HydrophobicContact CB-CH2 4.22Å; M305-W343 HydrophobicContact CB-CZ3 4.23Å; M305-W343 HydrophobicContact CE-CH2 4.21Å; I306-W343 HydrophobicContact CB-CE3 4.21Å; I306-W343 HydrophobicContact CB-CZ3 4.17Å; I306-W343 HydrophobicContact CG1-CE3 3.67Å; I306-W343 HydrophobicContact CG1-CZ3 3.55Å; F314-W343 AromaticContact CE2-CH2 3.69Å; F314-W343 HydrophobicContact CE2-CH2 3.69Å; F314-W343 HydrophobicContact CE2-CZ2 4.39Å; F314-W343 HydrophobicContact CE2-CZ3 4.06Å; F314-W343 AromaticContact CZ-CH2 3.92Å; F314-W343 HydrophobicContact CZ-CH2 3.92Å; F314-W343 HydrophobicContact CZ-CZ2 4.3Å; W336-W343 HydrophobicContact CB-CZ2 4.01Å; W336-W343 PolarHBondContact O-NE1 2.92Å; K340-W343 PolarHBondContact O-N 3.09Å; W343-A345 PolarHBondContact O-N 2.88Å
344A94.9Very high93.7Very high0 Ų040.8 Ų40.80%023%0.228CC..  trans-76119.7-178.700000108.8F314 K340 S346 S347 C348F314-A344 HydrophobicContact CD2-CB 4.01Å; F314-A344 HydrophobicContact CE2-CB 3.52Å; F314-A344 HydrophobicContact CZ-CB 4.33Å; K340-A344 HydrophobicContact CD-CB 4.36Å; K340-A344 HydrophobicContact CG-CB 3.6Å; K340-A344 PolarHBondContact O-N 3.36Å; A344-S346 PolarHBondContact O-N 3.02Å; A344-S346 VanDerWaalsContact O-N 3.12Å; A344-S347 WeakPolarHBondContact O-CA 3.31Å; A344-S347 PolarHBondContact O-N 2.76Å; A344-C348 PolarHBondContact O-N 3.5Å; A344-C348 PolarHBondContact O-SG 3.15Å
345A93.1Very high93.2Very high28 Ų2838.2 Ų38.223%0.23122%0.215CC..G310 helixtrans-53.4-38.8-176.900000112.6I306 V309 W343 S347 C348 L349I306-A345 WeakPolarHBondContact O-CB 3.18Å; I306-A345 PolarHBondContact O-N 2.76Å; V309-A345 HydrophobicContact CG1-CB 4.25Å; W343-A345 PolarHBondContact O-N 2.88Å; A345-S347 PolarHBondContact O-N 3.33Å; A345-C348 PolarHBondContact O-N 2.82Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å
346S93.9Very high92.8Very high14 Ų1436.5 Ų36.510%0.09820%0.204CC..G310 helixtrans-60.2-23.4174.463.50000115T308 V309 A344T308-S346 WeakPolarHBondContact O-CB 3.24Å; T308-S346 PolarHBondContact O-N 3.34Å; V309-S346 WeakPolarHBondContact O-CA 3.3Å; V309-S346 WeakPolarHBondContact O-CB 3.37Å; A344-S346 PolarHBondContact O-N 3.02Å; A344-S346 VanDerWaalsContact O-N 3.12Å
347S94.6Very high92.3Very high24 Ų2438.4 Ų38.417%0.16822%0.219CC..G310 helixtrans-104.7-2.1-178.9-56.10000113.6K340 A344 A345K340-S347 VanDerWaalsContact CE-OG 3.26Å; K340-S347 WeakPolarHBondContact CE-OG 3.47Å; A344-S347 WeakPolarHBondContact O-CA 3.31Å; A344-S347 PolarHBondContact O-N 2.76Å; A345-S347 PolarHBondContact O-N 3.33Å
348C93.2Very high91.8Very high17 Ų1737.3 Ų37.312%0.11521%0.213CC..  trans-111.98.2-178.4-60.10000112.8L279 K341 A344 A345 D350 A351L279-C348 HydrophobicContact CD2-CB 4.04Å; K341-C348 PolarHBondContact O-SG 3.17Å; K341-C348 VanDerWaalsContact O-SG 3.36Å; A344-C348 PolarHBondContact O-N 3.5Å; A344-C348 PolarHBondContact O-SG 3.15Å; A345-C348 PolarHBondContact O-N 2.82Å; C348-D350 PolarHBondContact O-N 2.82Å; C348-A351 VanDerWaalsContact O-CB 3.3Å; C348-A351 WeakPolarHBondContact O-CB 3.16Å; C348-A351 PolarHBondContact O-N 3.23Å
349L89.4Confident91.3Very high72 Ų7234.9 Ų34.938%0.37720%0.195SC..THydrogen-bonded Turntrans-64.3-21.9-177.6-64.7178.8000113.4V309 A345 S490V309-L349 HydrophobicContact CB-CD2 4.37Å; V309-L349 HydrophobicContact CG1-CD2 4.23Å; A345-L349 WeakPolarHBondContact O-CG 3.34Å; L349-S490 VanDerWaalsContact O-CB 3.32Å; L349-S490 WeakPolarHBondContact O-CB 3.4Å; L349-S490 PolarHBondContact O-OG 2.99Å
350D90.2Very high90.8Very high74 Ų7438.2 Ų38.240%0.39621%0.209SC..THydrogen-bonded Turntrans-87.2-8.217667.1-37.1000113.2R277 C348 I493R277-D350 IonicContact CZ-OD2 3.1Å; R277-D350 IonicContact NH1-OD1 3.05Å; R277-D350 PolarHBondContact NH1-OD1 3.22Å; R277-D350 IonicContact NH1-OD2 2.65Å; R277-D350 PolarHBondContact NH1-OD2 3.27Å; R277-D350 IonicContact NH2-OD2 3.62Å; R277-D350 PolarHBondContact NH2-OD2 3.34Å; C348-D350 PolarHBondContact O-N 2.82Å; D350-I493 VanDerWaalsContact O-CG2 3.24Å; D350-I493 WeakPolarHBondContact O-CG2 3.35Å
351A94.3Very high90.2Very high4 Ų435.5 Ų35.53%0.03320%0.198CC..SBendtrans-77.1143.2-178.300000111.4R277 L279 C348 T353 S494R277-A351 HydrophobicContact CG-CB 4.08Å; L279-A351 HydrophobicContact CD1-CB 3.89Å; L279-A351 HydrophobicContact CD2-CB 4.23Å; L279-A351 HydrophobicContact CG-CB 4.48Å; C348-A351 VanDerWaalsContact O-CB 3.3Å; C348-A351 WeakPolarHBondContact O-CB 3.16Å; C348-A351 PolarHBondContact O-N 3.23Å; A351-T353 HydrophobicContact CB-CG2 4.49Å; A351-T353 PolarHBondContact O-N 2.69Å; A351-S494 WeakPolarHBondContact O-CB 3.27Å
352I95.2Very high89.7Confident23 Ų2329.3 Ų29.312%0.11817%0.171CC..  trans-77.4111.6176.3-68.5154.9000108.6E192 V193 H255 T256 L354 F496E192-I352 HydrophobicContact CB-CG2 4.5Å; V193-I352 HydrophobicContact CG2-CG2 4Å; V193-I352 VanDerWaalsContact CG2-O 3.28Å; V193-I352 WeakPolarHBondContact CG2-O 3.19Å; H255-I352 HydrophobicContact CB-CB 4.19Å; H255-I352 HydrophobicContact CB-CD1 3.47Å; H255-I352 VanDerWaalsContact CB-CD1 3.47Å; H255-I352 HydrophobicContact CB-CG1 4.41Å; T256-I352 WeakPolarHBondContact CB-O 3.38Å; T256-I352 PolarHBondContact OG1-N 3.29Å; T256-I352 PolarHBondContact OG1-O 3.15Å; I352-L354 HydrophobicContact CG2-CD2 4.21Å; I352-F496 HydrophobicContact CB-CZ 4.43Å; I352-F496 HydrophobicContact CD1-CE1 3.76Å; I352-F496 HydrophobicContact CD1-CZ 3.56Å; I352-F496 HydrophobicContact CG1-CE1 3.88Å; I352-F496 HydrophobicContact CG1-CZ 3.85Å; I352-F496 HydrophobicContact CG2-CE1 4.37Å; I352-F496 HydrophobicContact CG2-CE2 3.98Å; I352-F496 HydrophobicContact CG2-CZ 3.7Å
353T93.4Very high89.1Confident22 Ų2233 Ų3314%0.13519%0.187CC..  trans-125.312.7178.970.10000112.6L279 A351 G355 T356 S494L279-T353 HydrophobicContact CD1-CG2 3.97Å; A351-T353 HydrophobicContact CB-CG2 4.49Å; A351-T353 PolarHBondContact O-N 2.69Å; T353-G355 PolarHBondContact O-N 3.04Å; T353-G355 VanDerWaalsContact O-N 3.15Å; T353-T356 VanDerWaalsContact CB-O 3.27Å; T353-T356 WeakPolarHBondContact CB-O 3.46Å; T353-T356 PolarHBondContact O-N 3.31Å; T353-T356 VanDerWaalsContact O-N 3.12Å; T353-T356 PolarHBondContact OG1-O 3.38Å; T353-S494 PolarHBondContact N-O 2.97Å; T353-S494 VanDerWaalsContact N-O 3.09Å
354L94.2Very high88.1Confident1 Ų134.6 Ų34.61%0.00521%0.205CC..THydrogen-bonded Turntrans56.631.6178.9-57.4172.5000112.4V193 T215 I352 T356 Y444 S494 F496 W522V193-L354 HydrophobicContact CB-CD1 3.93Å; V193-L354 HydrophobicContact CB-CG 4.39Å; V193-L354 HydrophobicContact CG2-CD1 3.7Å; V193-L354 HydrophobicContact CG2-CD2 4.42Å; V193-L354 HydrophobicContact CG2-CG 3.63Å; T215-L354 HydrophobicContact CG2-CD1 4.23Å; I352-L354 HydrophobicContact CG2-CD2 4.21Å; L354-T356 PolarHBondContact O-N 3.1Å; L354-Y444 PolarHBondContact O-OH 3.17Å; L354-S494 WeakPolarHBondContact CA-O 3.49Å; L354-S494 PolarHBondContact N-O 2.91Å; L354-F496 HydrophobicContact CD2-CD2 4.33Å; L354-F496 HydrophobicContact CD2-CE2 4.3Å; L354-W522 HydrophobicContact CB-CH2 3.94Å; L354-W522 HydrophobicContact CB-CZ2 3.82Å; L354-W522 HydrophobicContact CD2-CZ2 3.91Å; L354-W522 HydrophobicContact CG-CZ2 4.39Å
355G84Confident87.2Confident28 Ų2834.9 Ų34.929%0.28921%0.207SC..THydrogen-bonded Turntrans77.12.6177.700000115.6T353 M448T353-G355 PolarHBondContact O-N 3.04Å; T353-G355 VanDerWaalsContact O-N 3.15Å; G355-M448 WeakPolarHBondContact O-CE 3.4Å
356T83.8Confident86Confident20 Ų2037.9 Ų37.912%0.12322%0.219CC..SBendtrans-106.6149179-57.90000110.6T353 L354 E360 I361 Y444T353-T356 VanDerWaalsContact CB-O 3.27Å; T353-T356 WeakPolarHBondContact CB-O 3.46Å; T353-T356 PolarHBondContact O-N 3.31Å; T353-T356 VanDerWaalsContact O-N 3.12Å; T353-T356 PolarHBondContact OG1-O 3.38Å; L354-T356 PolarHBondContact O-N 3.1Å; T356-E360 HydrophobicContact CG2-CB 3.34Å; T356-E360 HydrophobicContact CG2-CG 4.44Å; T356-I361 HydrophobicContact CG2-CG1 3.73Å; T356-Y444 PolarHBondContact OG1-OH 3.45Å
357S84.2Confident84.7Confident51 Ų5142.5 Ų42.536%0.35724%0.238SC..  trans-71.7149.3171.468.50000111.3I359 E360 I361S357-I359 PolarHBondContact O-N 3.32Å; S357-I359 VanDerWaalsContact O-N 3.1Å; S357-E360 WeakPolarHBondContact CB-OE2 3.45Å; S357-E360 PolarHBondContact N-OE2 2.65Å; S357-E360 VanDerWaalsContact N-OE2 3.12Å; S357-E360 PolarHBondContact O-N 2.92Å; S357-E360 WeakPolarHBondContact OG-CB 3.45Å; S357-E360 VanDerWaalsContact OG-CG 3.27Å; S357-E360 WeakPolarHBondContact OG-CG 3.47Å; S357-E360 PolarHBondContact OG-N 2.91Å; S357-E360 PolarHBondContact OG-OE2 2.6Å; S357-I361 WeakPolarHBondContact O-CG1 3.21Å; S357-I361 PolarHBondContact O-N 3.02Å
358I84.2Confident83.8Confident25 Ų2543.8 Ų43.813%0.12825%0.247CC..Hα-helixtrans-51.5-39.6175.7-61.6166.6000111.2I258 L279 E360 I361 I362I258-I358 HydrophobicContact CG2-CG2 3.81Å; L279-I358 HydrophobicContact CB-CD1 3.94Å; L279-I358 HydrophobicContact CD1-CD1 3.91Å; L279-I358 HydrophobicContact CD1-CG1 4.21Å; L279-I358 HydrophobicContact CG-CD1 4.43Å; I358-E360 PolarHBondContact O-N 2.85Å; I358-I361 PolarHBondContact O-N 3.44Å; I358-I362 HydrophobicContact CG2-CD1 3.8Å; I358-I362 WeakPolarHBondContact O-CG1 3.28Å; I358-I362 PolarHBondContact O-N 2.65Å
359I85Confident83.3Confident48 Ų4843.1 Ų43.125%0.24624%0.242CC..Hα-helixtrans-63-42.3179.9-67172.2000111.4P282 F283 S357 K363P282-I359 HydrophobicContact CG-CD1 4.43Å; P282-I359 HydrophobicContact CG-CG1 4.17Å; F283-I359 HydrophobicContact CE2-CB 4.43Å; F283-I359 HydrophobicContact CE2-CD1 4.35Å; F283-I359 HydrophobicContact CE2-CG1 3.93Å; F283-I359 HydrophobicContact CE2-CG2 3.92Å; F283-I359 HydrophobicContact CZ-CD1 4.3Å; F283-I359 HydrophobicContact CZ-CG1 4.36Å; F283-I359 HydrophobicContact CZ-CG2 4.14Å; S357-I359 PolarHBondContact O-N 3.32Å; S357-I359 VanDerWaalsContact O-N 3.1Å; I359-K363 HydrophobicContact CG2-CD 3.89Å; I359-K363 HydrophobicContact CG2-CG 4.45Å; I359-K363 WeakPolarHBondContact O-CB 3.47Å; I359-K363 WeakPolarHBondContact O-CG 3.46Å; I359-K363 PolarHBondContact O-N 2.88Å
360E83.3Confident82.9Confident111 Ų11143.4 Ų43.452%0.51924%0.24SC..Hα-helixtrans-71.1-38.3178.7-76.2162158.200111.8T356 S357 I358 I362 K363 G364T356-E360 HydrophobicContact CG2-CB 3.34Å; T356-E360 HydrophobicContact CG2-CG 4.44Å; S357-E360 WeakPolarHBondContact CB-OE2 3.45Å; S357-E360 PolarHBondContact N-OE2 2.65Å; S357-E360 VanDerWaalsContact N-OE2 3.12Å; S357-E360 PolarHBondContact O-N 2.92Å; S357-E360 WeakPolarHBondContact OG-CB 3.45Å; S357-E360 VanDerWaalsContact OG-CG 3.27Å; S357-E360 WeakPolarHBondContact OG-CG 3.47Å; S357-E360 PolarHBondContact OG-N 2.91Å; S357-E360 PolarHBondContact OG-OE2 2.6Å; I358-E360 PolarHBondContact O-N 2.85Å; E360-I362 VanDerWaalsContact C-N 3.31Å; E360-I362 PolarHBondContact O-N 2.87Å; E360-K363 PolarHBondContact O-N 2.94Å; E360-G364 PolarHBondContact O-N 3.33Å
361I82.3Confident82.6Confident9 Ų945.2 Ų45.25%0.04625%0.246CC..Hα-helixtrans-57.5-48.3173.9-62.2172.8000109.8L195 I258 T356 S357 I358 G364L195-I361 HydrophobicContact CB-CG2 4.5Å; L195-I361 HydrophobicContact CD2-CG2 4.15Å; I258-I361 HydrophobicContact CD1-CD1 3.63Å; I258-I361 HydrophobicContact CD1-CG2 4.2Å; T356-I361 HydrophobicContact CG2-CG1 3.73Å; S357-I361 WeakPolarHBondContact O-CG1 3.21Å; S357-I361 PolarHBondContact O-N 3.02Å; I358-I361 PolarHBondContact O-N 3.44Å; I361-G364 PolarHBondContact O-N 3.48Å
362I83.2Confident82.1Confident10 Ų1047.8 Ų47.85%0.05126%0.264CS..Hα-helixtrans-64.3-42.8178.2-68.9169.2000111.4L195 D260 N281 I358 E360 G364 V365L195-I362 HydrophobicContact CD1-CG1 4.08Å; L195-I362 HydrophobicContact CD2-CG1 4.28Å; D260-I362 HydrophobicContact CB-CD1 4Å; D260-I362 HydrophobicContact CB-CG1 4.17Å; D260-I362 WeakPolarHBondContact OD2-CG2 3.43Å; N281-I362 HydrophobicContact CB-CD1 3.71Å; N281-I362 VanDerWaalsContact CG-CD1 3.45Å; I358-I362 HydrophobicContact CG2-CD1 3.8Å; I358-I362 WeakPolarHBondContact O-CG1 3.28Å; I358-I362 PolarHBondContact O-N 2.65Å; E360-I362 VanDerWaalsContact C-N 3.31Å; E360-I362 PolarHBondContact O-N 2.87Å; I362-G364 PolarHBondContact O-N 2.9Å; I362-V365 WeakPolarHBondContact O-CB 3.36Å; I362-V365 WeakPolarHBondContact O-CG2 3.28Å; I362-V365 PolarHBondContact O-N 3.1Å; I362-V365 VanDerWaalsContact O-N 3.15Å
363K80.6Confident81.7Confident106 Ų10646.8 Ų46.846%0.46126%0.258SS..Hα-helixtrans-65.5-27.1178.5-78.8174.4175.9-177.80113.7Y18 I359 E360 V365Y18-K363 PolarHBondContact OH-NZ 3.23Å; I359-K363 HydrophobicContact CG2-CD 3.89Å; I359-K363 HydrophobicContact CG2-CG 4.45Å; I359-K363 WeakPolarHBondContact O-CB 3.47Å; I359-K363 WeakPolarHBondContact O-CG 3.46Å; I359-K363 PolarHBondContact O-N 2.88Å; E360-K363 PolarHBondContact O-N 2.94Å; K363-V365 PolarHBondContact O-N 3.25Å
364G73.4Confident81.3Confident40 Ų4049.2 Ų49.241%0.41227%0.265SS..THydrogen-bonded Turntrans-68.5-15.9176.300000113.3P221 E360 I361 I362 N366P221-G364 VanDerWaalsContact CG-C 3.45Å; P221-G364 WeakPolarHBondContact CG-O 3.38Å; E360-G364 PolarHBondContact O-N 3.33Å; I361-G364 PolarHBondContact O-N 3.48Å; I362-G364 PolarHBondContact O-N 2.9Å; G364-N366 PolarHBondContact O-N 3.18Å
365V76.4Confident80.8Confident6 Ų655.9 Ų55.94%0.03630%0.301CS..SBendtrans-68.5128.4179.7-177.60000110.5L195 I213 I362 K363 F367L195-V365 HydrophobicContact CD2-CG2 3.55Å; I213-V365 HydrophobicContact CD1-CB 4Å; I213-V365 HydrophobicContact CD1-CG1 3.4Å; I213-V365 VanDerWaalsContact CD1-CG1 3.4Å; I213-V365 HydrophobicContact CD1-CG2 3.37Å; I362-V365 WeakPolarHBondContact O-CB 3.36Å; I362-V365 WeakPolarHBondContact O-CG2 3.28Å; I362-V365 PolarHBondContact O-N 3.1Å; I362-V365 VanDerWaalsContact O-N 3.15Å; K363-V365 PolarHBondContact O-N 3.25Å; V365-F367 WeakPolarHBondContact O-CD2 3.36Å; V365-F367 WeakPolarHBondContact O-CE2 3.37Å; V365-F367 PolarHBondContact O-N 3.45Å; V365-F367 VanDerWaalsContact O-N 3.11Å
366N67.4Low80.7Confident91 Ų9156 Ų5649%0.48730%0.295SS..  trans-73106.1179-174.12.2000111.2G364 S368G364-N366 PolarHBondContact O-N 3.18Å; N366-S368 VanDerWaalsContact C-N 3.25Å; N366-S368 PolarHBondContact ND2-OG 2.99Å; N366-S368 PolarHBondContact O-N 2.66Å; N366-S368 WeakPolarHBondContact OD1-CB 3.48Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 PolarHBondContact OD1-OG 3.12Å
367F67Low80.3Confident111 Ų11157.5 Ų57.549%0.48730%0.304SS..THydrogen-bonded Turntrans-75.1-7.4177.3-65-77.9000114.1V365 L369 K370V365-F367 WeakPolarHBondContact O-CD2 3.36Å; V365-F367 WeakPolarHBondContact O-CE2 3.37Å; V365-F367 PolarHBondContact O-N 3.45Å; V365-F367 VanDerWaalsContact O-N 3.11Å; F367-L369 PolarHBondContact O-N 3.03Å; F367-L369 VanDerWaalsContact O-N 3.14Å; F367-K370 WeakPolarHBondContact O-CB 3.46Å; F367-K370 PolarHBondContact O-N 3.26Å
368S75.7Confident80Confident51 Ų5156.9 Ų56.936%0.35730%0.3SS..Hα-helixtrans-61.1-27.2-176.776.40000113.3N366 K370 E371 S372N366-S368 VanDerWaalsContact C-N 3.25Å; N366-S368 PolarHBondContact ND2-OG 2.99Å; N366-S368 PolarHBondContact O-N 2.66Å; N366-S368 WeakPolarHBondContact OD1-CB 3.48Å; N366-S368 PolarHBondContact OD1-N 3.33Å; N366-S368 PolarHBondContact OD1-OG 3.12Å; S368-K370 VanDerWaalsContact C-N 3.32Å; S368-K370 PolarHBondContact O-N 2.89Å; S368-E371 PolarHBondContact O-N 2.81Å; S368-S372 PolarHBondContact O-N 3.38Å; S368-S372 VanDerWaalsContact O-N 3.15Å; S368-S372 PolarHBondContact O-OG 3Å
369L83.2Confident79.7Confident2 Ų256.9 Ų56.91%0.0130%0.301CS..Hα-helixtrans-62.7-40175.7-177.559.1000111.3L209 Y226 F367 E371 S372 L373 I385 I386 E389L209-L369 HydrophobicContact CD2-CD2 3.78Å; L209-L369 HydrophobicContact CD2-CG 4.02Å; Y226-L369 HydrophobicContact CD1-CD2 3.89Å; Y226-L369 HydrophobicContact CE1-CD2 3.52Å; F367-L369 PolarHBondContact O-N 3.03Å; F367-L369 VanDerWaalsContact O-N 3.14Å; L369-E371 VanDerWaalsContact C-N 3.33Å; L369-E371 PolarHBondContact O-N 2.94Å; L369-S372 WeakPolarHBondContact O-CB 3.41Å; L369-S372 PolarHBondContact O-N 3.25Å; L369-L373 HydrophobicContact CD1-CG 4.46Å; L369-L373 HydrophobicContact CG-CD1 4.49Å; L369-L373 WeakPolarHBondContact O-CG 3.27Å; L369-L373 PolarHBondContact O-N 3.49Å; L369-I385 HydrophobicContact CD1-CG2 3.83Å; L369-I386 HydrophobicContact CD1-CG1 4.4Å; L369-E389 HydrophobicContact CD1-CB 4.23Å; L369-E389 HydrophobicContact CD1-CG 4.23Å; L369-E389 HydrophobicContact CD2-CG 4.31Å
370K81Confident79.4Confident78 Ų7858.2 Ų58.234%0.33931%0.305SS..Hα-helixtrans-59.2-45.6178.6-176-177.8178.5178.20111.3A199 V202 F367 S368 S372 L373 R374A199-K370 HydrophobicContact CB-CD 4.09Å; A199-K370 HydrophobicContact CB-CG 4.42Å; V202-K370 HydrophobicContact CB-CG 4.47Å; V202-K370 HydrophobicContact CG1-CG 4.22Å; F367-K370 WeakPolarHBondContact O-CB 3.46Å; F367-K370 PolarHBondContact O-N 3.26Å; S368-K370 VanDerWaalsContact C-N 3.32Å; S368-K370 PolarHBondContact O-N 2.89Å; K370-S372 VanDerWaalsContact C-N 3.3Å; K370-S372 PolarHBondContact O-N 2.83Å; K370-L373 PolarHBondContact O-N 3.28Å; K370-R374 PolarHBondContact O-N 2.91Å
371E82.2Confident79.5Confident113 Ų11357.5 Ų57.553%0.52830%0.302SS..Hα-helixtrans-66.4-35.8180-160.862.4-154.300111.6S368 L369 L373 R374S368-E371 PolarHBondContact O-N 2.81Å; L369-E371 VanDerWaalsContact C-N 3.33Å; L369-E371 PolarHBondContact O-N 2.94Å; E371-L373 PolarHBondContact O-N 3.41Å; E371-R374 WeakPolarHBondContact O-CB 3.47Å; E371-R374 PolarHBondContact O-N 2.94Å; E371-R374 WeakPolarHBondContact OE1-CD 3.34Å; E371-R374 IonicContact OE1-NH1 3.01Å; E371-R374 PolarHBondContact OE1-NH1 3.15Å; E371-R374 VanDerWaalsContact OE1-NH1 3.09Å; E371-R374 IonicContact OE2-NH1 3.86Å
372S85.5Confident79.7Confident58 Ų5857.2 Ų57.241%0.40630%0.3SS..Hα-helixtrans-63.3-27177.4-550000113S368 L369 K370 L376S368-S372 PolarHBondContact O-N 3.38Å; S368-S372 VanDerWaalsContact O-N 3.15Å; S368-S372 PolarHBondContact O-OG 3Å; L369-S372 WeakPolarHBondContact O-CB 3.41Å; L369-S372 PolarHBondContact O-N 3.25Å; K370-S372 VanDerWaalsContact C-N 3.3Å; K370-S372 PolarHBondContact O-N 2.83Å; S372-L376 WeakPolarHBondContact O-CD1 3.47Å
373L86.6Confident79.8Confident1 Ų156.9 Ų56.91%0.00530%0.298CS..Hα-helixtrans-87.9-14.2-179.6-61.6-177.9000113.8V202 N203 L209 L369 K370 E371 N375 L376 I382 I385 I386V202-L373 HydrophobicContact CG2-CB 4.14Å; V202-L373 HydrophobicContact CG2-CD1 4.16Å; N203-L373 WeakPolarHBondContact CB-O 3.41Å; L209-L373 HydrophobicContact CD2-CD1 4.01Å; L369-L373 HydrophobicContact CD1-CG 4.46Å; L369-L373 HydrophobicContact CG-CD1 4.49Å; L369-L373 WeakPolarHBondContact O-CG 3.27Å; L369-L373 PolarHBondContact O-N 3.49Å; K370-L373 PolarHBondContact O-N 3.28Å; E371-L373 PolarHBondContact O-N 3.41Å; L373-N375 VanDerWaalsContact C-N 3.33Å; L373-N375 PolarHBondContact O-N 3.3Å; L373-L376 HydrophobicContact CD2-CD1 4.02Å; L373-L376 PolarHBondContact O-N 3.18Å; L373-I382 HydrophobicContact CD2-CB 4.34Å; L373-I382 HydrophobicContact CD2-CG1 4.32Å; L373-I382 HydrophobicContact CD2-CG2 4.01Å; L373-I385 HydrophobicContact CD2-CB 4.4Å; L373-I385 HydrophobicContact CD2-CG2 4.28Å; L373-I386 HydrophobicContact CD1-CD1 4.41Å
374R85.1Confident80.1Confident73 Ų7353.7 Ų53.728%0.27529%0.288SS..THydrogen-bonded Turntrans-57.7-39.4-163.8-165174.7-171.5-169.9-1.1115.6V202 N203 K370 E371V202-R374 VanDerWaalsContact O-CA 3.23Å; V202-R374 WeakPolarHBondContact O-CA 3.46Å; N203-R374 WeakPolarHBondContact CA-O 3.44Å; N203-R374 WeakPolarHBondContact CB-O 3.36Å; K370-R374 PolarHBondContact O-N 2.91Å; E371-R374 WeakPolarHBondContact O-CB 3.47Å; E371-R374 PolarHBondContact O-N 2.94Å; E371-R374 WeakPolarHBondContact OE1-CD 3.34Å; E371-R374 IonicContact OE1-NH1 3.01Å; E371-R374 PolarHBondContact OE1-NH1 3.15Å; E371-R374 VanDerWaalsContact OE1-NH1 3.09Å; E371-R374 IonicContact OE2-NH1 3.86Å
375N82.2Confident80.8Confident141 Ų14154.2 Ų54.275%0.75428%0.281SS*.THydrogen-bonded Turntrans-98.1-1.5-176.1-62-33.9000112.9L373L373-N375 VanDerWaalsContact C-N 3.33Å; L373-N375 PolarHBondContact O-N 3.3Å
376L82Confident81.5Confident31 Ų3154 Ų5416%0.16228%0.279CS..  trans-85141.5-176.6-56.8178.5000110.7N203 S372 L373 E381 I382 I385N203-L376 WeakPolarHBondContact CB-O 3.5Å; N203-L376 PolarHBondContact ND2-O 2.87Å; S372-L376 WeakPolarHBondContact O-CD1 3.47Å; L373-L376 HydrophobicContact CD2-CD1 4.02Å; L373-L376 PolarHBondContact O-N 3.18Å; L376-E381 HydrophobicContact CD1-CB 4.36Å; L376-E381 HydrophobicContact CD2-CB 4.34Å; L376-I382 HydrophobicContact CB-CD1 4.46Å; L376-I382 HydrophobicContact CB-CG1 3.82Å; L376-I382 HydrophobicContact CD1-CG1 4.25Å; L376-I385 HydrophobicContact CD1-CD1 3.36Å; L376-I385 HydrophobicContact CD1-CG1 4.41Å
377T75.6Confident82.5Confident51 Ų5151 Ų5131%0.31326%0.261SS..  trans-123.1-20.4176.659.60000112.4K205K205-T377 HydrophobicContact CD-CG2 4.45Å; K205-T377 HydrophobicContact CG-CG2 4.11Å
378S78.9Confident83.5Confident39 Ų3950.1 Ų50.127%0.27326%0.262SS..  trans-83.4127.3177.9174.90000111.6K380 E381 I382S378-K380 PolarHBondContact O-N 3.09Å; S378-K380 PolarHBondContact OG-N 3.08Å; S378-E381 WeakPolarHBondContact CB-OE2 3.19Å; S378-E381 PolarHBondContact O-N 3.45Å; S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.5Å; S378-I382 PolarHBondContact O-N 3.03Å
379V77.5Confident84.1Confident25 Ų2549 Ų4915%0.15225%0.251CS..Hα-helixtrans-58.2-37.7172.8176.50000111I143 I176 F207 E381 I382 M383I143-V379 HydrophobicContact CD1-CG2 4.04Å; I143-V379 HydrophobicContact CG1-CG2 4.11Å; I176-V379 HydrophobicContact CD1-CG1 3.71Å; F207-V379 HydrophobicContact CE1-CG2 4.3Å; F207-V379 HydrophobicContact CZ-CG2 3.76Å; V379-E381 PolarHBondContact O-N 3.4Å; V379-I382 PolarHBondContact O-N 3.45Å; V379-M383 HydrophobicContact CG1-CG 4.06Å; V379-M383 WeakPolarHBondContact O-CB 3.26Å; V379-M383 VanDerWaalsContact O-CG 3.32Å; V379-M383 WeakPolarHBondContact O-CG 3.44Å; V379-M383 PolarHBondContact O-N 2.93Å
380K79.4Confident84.4Confident76 Ų7649.4 Ų49.433%0.3325%0.254SS..Hα-helixtrans-61.2-45.1177.8179.7-179.8178.1176.70112.1V153 S378 T384V153-K380 HydrophobicContact CG2-CB 3.72Å; V153-K380 HydrophobicContact CG2-CG 4.1Å; S378-K380 PolarHBondContact O-N 3.09Å; S378-K380 PolarHBondContact OG-N 3.08Å; K380-T384 VanDerWaalsContact O-CB 3.26Å; K380-T384 WeakPolarHBondContact O-CB 3.42Å; K380-T384 PolarHBondContact O-N 2.88Å; K380-T384 PolarHBondContact O-OG1 2.96Å
381E84.4Confident84.5Confident96 Ų9647.2 Ų47.245%0.44925%0.253SS..Hα-helixtrans-66.2-46.4178.2-66.4174.9159.400111L376 S378 V379 M383 T384 I385L376-E381 HydrophobicContact CD1-CB 4.36Å; L376-E381 HydrophobicContact CD2-CB 4.34Å; S378-E381 WeakPolarHBondContact CB-OE2 3.19Å; S378-E381 PolarHBondContact O-N 3.45Å; V379-E381 PolarHBondContact O-N 3.4Å; E381-M383 PolarHBondContact O-N 3.5Å; E381-T384 PolarHBondContact O-N 3Å; E381-I385 WeakPolarHBondContact O-CG1 3.35Å; E381-I385 PolarHBondContact O-N 2.99Å
382I86.4Confident84.6Confident3 Ų347 Ų472%0.01525%0.251CS..Hα-helixtrans-56.1-53177.6-68.5165.8000110.3F207 V228 L373 L376 S378 V379 T384 I385 I386F207-I382 HydrophobicContact CD2-CD1 4.02Å; F207-I382 HydrophobicContact CE2-CD1 3.83Å; F207-I382 HydrophobicContact CZ-CD1 4.28Å; V228-I382 HydrophobicContact CG1-CG2 4.38Å; V228-I382 HydrophobicContact CG2-CG2 4.02Å; L373-I382 HydrophobicContact CD2-CB 4.34Å; L373-I382 HydrophobicContact CD2-CG1 4.32Å; L373-I382 HydrophobicContact CD2-CG2 4.01Å; L376-I382 HydrophobicContact CB-CD1 4.46Å; L376-I382 HydrophobicContact CB-CG1 3.82Å; L376-I382 HydrophobicContact CD1-CG1 4.25Å; S378-I382 VanDerWaalsContact O-CG1 3.3Å; S378-I382 WeakPolarHBondContact O-CG1 3.5Å; S378-I382 PolarHBondContact O-N 3.03Å; V379-I382 PolarHBondContact O-N 3.45Å; I382-T384 VanDerWaalsContact C-N 3.32Å; I382-T384 PolarHBondContact O-N 3.12Å; I382-I385 PolarHBondContact O-N 2.71Å; I382-I386 HydrophobicContact CG2-CD1 3.83Å; I382-I386 WeakPolarHBondContact O-CG1 3.37Å; I382-I386 PolarHBondContact O-N 3.49Å
383M86Confident84.2Confident3 Ų351.3 Ų51.32%0.01526%0.262CS..Hα-helixtrans-67.5-32.9-178.4-68.2-52.4-57.900112.4V153 I157 I176 L178 V228 V379 E381 I386 Y387V153-M383 HydrophobicContact CG1-CB 3.69Å; V153-M383 HydrophobicContact CG1-CG 3.88Å; I157-M383 HydrophobicContact CD1-CE 3.99Å; I157-M383 HydrophobicContact CG2-CB 4.39Å; I176-M383 HydrophobicContact CB-CE 4.31Å; I176-M383 HydrophobicContact CB-SD 4.16Å; I176-M383 HydrophobicContact CD1-CG 4.35Å; I176-M383 HydrophobicContact CG2-CE 3.58Å; I176-M383 HydrophobicContact CG2-SD 4.02Å; L178-M383 HydrophobicContact CB-CE 4.19Å; V228-M383 HydrophobicContact CB-SD 4.44Å; V228-M383 HydrophobicContact CG2-SD 4.13Å; V379-M383 HydrophobicContact CG1-CG 4.06Å; V379-M383 WeakPolarHBondContact O-CB 3.26Å; V379-M383 VanDerWaalsContact O-CG 3.32Å; V379-M383 WeakPolarHBondContact O-CG 3.44Å; V379-M383 PolarHBondContact O-N 2.93Å; E381-M383 PolarHBondContact O-N 3.5Å; M383-I386 PolarHBondContact O-N 3.02Å; M383-I386 HydrophobicContact SD-CD1 4.32Å; M383-Y387 WeakPolarHBondContact O-CB 3.27Å; M383-Y387 PolarHBondContact O-N 2.85Å
384T86Confident83.7Confident39 Ų3954.6 Ų54.624%0.23928%0.275CS..Hα-helixtrans-65-43.7174.6-59.70000111.2K380 E381 I382 Y387 N388K380-T384 VanDerWaalsContact O-CB 3.26Å; K380-T384 WeakPolarHBondContact O-CB 3.42Å; K380-T384 PolarHBondContact O-N 2.88Å; K380-T384 PolarHBondContact O-OG1 2.96Å; E381-T384 PolarHBondContact O-N 3Å; I382-T384 VanDerWaalsContact C-N 3.32Å; I382-T384 PolarHBondContact O-N 3.12Å; T384-Y387 PolarHBondContact O-N 2.78Å; T384-N388 WeakPolarHBondContact O-CB 3.29Å; T384-N388 PolarHBondContact O-N 3.37Å; T384-N388 PolarHBondContact O-ND2 3.1Å
385I89.3Confident82.8Confident51 Ų5157.1 Ų57.126%0.26230%0.298SS..Hα-helixtrans-64.2-45.5176.1-69-176.2000110.9L369 L373 L376 E381 I382 Y387 N388 E389L369-I385 HydrophobicContact CD1-CG2 3.83Å; L373-I385 HydrophobicContact CD2-CB 4.4Å; L373-I385 HydrophobicContact CD2-CG2 4.28Å; L376-I385 HydrophobicContact CD1-CD1 3.36Å; L376-I385 HydrophobicContact CD1-CG1 4.41Å; E381-I385 WeakPolarHBondContact O-CG1 3.35Å; E381-I385 PolarHBondContact O-N 2.99Å; I382-I385 PolarHBondContact O-N 2.71Å; I385-Y387 VanDerWaalsContact C-N 3.32Å; I385-Y387 PolarHBondContact O-N 2.87Å; I385-N388 PolarHBondContact O-N 3.22Å; I385-E389 WeakPolarHBondContact O-CB 3.47Å; I385-E389 PolarHBondContact O-N 3.19Å
386I90.1Very high82Confident0 Ų051.9 Ų51.90%027%0.268CS..Hα-helixtrans-61.5-43.4178.1-68.4171.6000110.6L178 L209 Y226 V228 L369 L373 I382 M383 N388 E389 A390L178-I386 HydrophobicContact CD2-CG2 4.07Å; L209-I386 HydrophobicContact CD1-CD1 3.94Å; Y226-I386 VanDerWaalsContact CB-CG2 3.47Å; Y226-I386 HydrophobicContact CD1-CG2 4.07Å; Y226-I386 HydrophobicContact CD2-CG2 4.01Å; Y226-I386 HydrophobicContact CG-CG2 3.6Å; V228-I386 HydrophobicContact CG2-CD1 3.2Å; L369-I386 HydrophobicContact CD1-CG1 4.4Å; L373-I386 HydrophobicContact CD1-CD1 4.41Å; I382-I386 HydrophobicContact CG2-CD1 3.83Å; I382-I386 WeakPolarHBondContact O-CG1 3.37Å; I382-I386 PolarHBondContact O-N 3.49Å; M383-I386 PolarHBondContact O-N 3.02Å; M383-I386 HydrophobicContact SD-CD1 4.32Å; I386-N388 VanDerWaalsContact C-N 3.33Å; I386-N388 PolarHBondContact O-N 3.41Å; I386-E389 PolarHBondContact O-N 3.35Å; I386-A390 WeakPolarHBondContact O-CB 3.4Å; I386-A390 PolarHBondContact O-N 3.34Å
387Y88Confident80.6Confident30 Ų3054.9 Ų54.912%0.11829%0.289CS..Hα-helixtrans-62.7-39.2176.9176.2-97.8000112.5I156 I157 R159 L178 R180 M383 T384 I385 G391I156-Y387 HydrophobicContact CG2-CD1 4.24Å; I157-Y387 HydrophobicContact CB-CD2 4.16Å; I157-Y387 HydrophobicContact CG2-CD2 4.15Å; I157-Y387 HydrophobicContact CG2-CG 4.16Å; R159-Y387 PolarHBondContact O-OH 3.1Å; L178-Y387 HydrophobicContact CD1-CD2 4.49Å; L178-Y387 HydrophobicContact CD2-CD2 4.15Å; R180-Y387 PolarHBondContact NE-O 3.29Å; R180-Y387 PolarHBondContact NH2-O 3.27Å; M383-Y387 WeakPolarHBondContact O-CB 3.27Å; M383-Y387 PolarHBondContact O-N 2.85Å; T384-Y387 PolarHBondContact O-N 2.78Å; I385-Y387 VanDerWaalsContact C-N 3.32Å; I385-Y387 PolarHBondContact O-N 2.87Å; Y387-G391 PolarHBondContact O-N 3.12Å; Y387-G391 VanDerWaalsContact O-N 3.16Å
388N88.6Confident78.9Confident92 Ų9258.5 Ų58.549%0.49232%0.316SS..Hα-helixtrans-68.9-40.5175.3-70-21000111.6T384 I385 I386 G391 K392T384-N388 WeakPolarHBondContact O-CB 3.29Å; T384-N388 PolarHBondContact O-N 3.37Å; T384-N388 PolarHBondContact O-ND2 3.1Å; I385-N388 PolarHBondContact O-N 3.22Å; I386-N388 VanDerWaalsContact C-N 3.33Å; I386-N388 PolarHBondContact O-N 3.41Å; N388-G391 PolarHBondContact O-N 3.44Å; N388-G391 VanDerWaalsContact O-N 3.14Å; N388-K392 PolarHBondContact O-N 2.88Å
389E89Confident77.2Confident28 Ų2858.6 Ų58.613%0.13132%0.317CS..Hα-helixtrans-60.9-47175-164.466.6-148.400111L369 I385 I386 G391 K392L369-E389 HydrophobicContact CD1-CB 4.23Å; L369-E389 HydrophobicContact CD1-CG 4.23Å; L369-E389 HydrophobicContact CD2-CG 4.31Å; I385-E389 WeakPolarHBondContact O-CB 3.47Å; I385-E389 PolarHBondContact O-N 3.19Å; I386-E389 PolarHBondContact O-N 3.35Å; E389-G391 PolarHBondContact O-N 3.04Å; E389-K392 WeakPolarHBondContact O-CB 3.26Å; E389-K392 PolarHBondContact O-N 3.13Å; E389-K392 VanDerWaalsContact O-N 3.07Å; E389-K392 WeakPolarHBondContact OE1-CD 3.48Å; E389-K392 IonicContact OE1-NZ 2.65Å; E389-K392 PolarHBondContact OE1-NZ 3.2Å; E389-K392 WeakPolarHBondContact OE2-CE 3.43Å; E389-K392 IonicContact OE2-NZ 3.48Å; E389-K392 PolarHBondContact OE2-NZ 2.81Å
390A87.7Confident74.9Confident10 Ų1061.7 Ų61.78%0.08334%0.34CS..Hα-helixtrans-60.3-25.8175.900000112.9R180 Y226 I386R180-A390 HydrophobicContact CG-CB 4.27Å; Y226-A390 HydrophobicContact CD2-CB 4.13Å; Y226-A390 HydrophobicContact CE2-CB 3.76Å; I386-A390 WeakPolarHBondContact O-CB 3.4Å; I386-A390 PolarHBondContact O-N 3.34Å
391G84.4Confident73Confident31 Ų3161 Ų6132%0.3234%0.339SS..THydrogen-bonded Turntrans-88.8-4.6177.700000115.3R180 Y387 N388 E389 K393R180-G391 VanDerWaalsContact NH1-CA 3.31Å; Y387-G391 PolarHBondContact O-N 3.12Å; Y387-G391 VanDerWaalsContact O-N 3.16Å; N388-G391 PolarHBondContact O-N 3.44Å; N388-G391 VanDerWaalsContact O-N 3.14Å; E389-G391 PolarHBondContact O-N 3.04Å; G391-K393 PolarHBondContact O-N 3.15Å
392K83.9Confident70.6Confident110 Ų11059.6 Ų59.648%0.47833%0.334SS..SBendtrans-66.5128.7178.9-71.4-175.9-174168.70109.9N388 E389 W394N388-K392 PolarHBondContact O-N 2.88Å; E389-K392 WeakPolarHBondContact O-CB 3.26Å; E389-K392 PolarHBondContact O-N 3.13Å; E389-K392 VanDerWaalsContact O-N 3.07Å; E389-K392 WeakPolarHBondContact OE1-CD 3.48Å; E389-K392 IonicContact OE1-NZ 2.65Å; E389-K392 PolarHBondContact OE1-NZ 3.2Å; E389-K392 WeakPolarHBondContact OE2-CE 3.43Å; E389-K392 IonicContact OE2-NZ 3.48Å; E389-K392 PolarHBondContact OE2-NZ 2.81Å; K392-W394 PolarHBondContact O-N 2.95Å
393K76.4Confident67.7Low148 Ų14864.5 Ų64.564%0.64337%0.368SS*.PPolyproline II helixtrans-61.4135.7171.7-71.9-173.7177.6-178.20109.7G391 V395 P534G391-K393 PolarHBondContact O-N 3.15Å; K393-V395 PolarHBondContact O-N 3.3Å; K393-P534 HydrophobicContact CD-CG 4.23Å
394W76.3Confident64.9Low70 Ų7069.3 Ų69.327%0.26540%0.402SS..PPolyproline II helixtrans-73.3123.2175.2-62.8-19.1000110V186 R222 K392 Y396 L530V186-W394 HydrophobicContact CB-CH2 3.69Å; V186-W394 HydrophobicContact CB-CZ3 4.03Å; V186-W394 HydrophobicContact CG1-CH2 3.54Å; V186-W394 HydrophobicContact CG1-CZ3 3.72Å; V186-W394 HydrophobicContact CG2-CH2 3.37Å; V186-W394 HydrophobicContact CG2-CZ3 3.36Å; R222-W394 HydrophobicContact CB-CH2 3.72Å; R222-W394 HydrophobicContact CB-CZ2 3.83Å; R222-W394 HydrophobicContact CB-CZ3 4.19Å; R222-W394 VanDerWaalsContact CD-CD2 3.42Å; R222-W394 HydrophobicContact CG-CD2 4.3Å; R222-W394 HydrophobicContact CG-CE3 4.02Å; R222-W394 HydrophobicContact CG-CH2 3.85Å; R222-W394 HydrophobicContact CG-CZ2 4.15Å; R222-W394 HydrophobicContact CG-CZ3 3.77Å; K392-W394 PolarHBondContact O-N 2.95Å; W394-Y396 HydrophobicContact CB-CE2 4.11Å; W394-L530 HydrophobicContact CE3-CD2 4.15Å; W394-L530 HydrophobicContact CZ3-CD2 4.03Å
395V67.2Low62.1Low125 Ų12572 Ų7276%0.75842%0.423SS*.PPolyproline II helixtrans-94.3124173.3-1770000107.2K393K393-V395 PolarHBondContact O-N 3.3Å
396Y65.1Low59Low31 Ų3175.4 Ų75.412%0.12245%0.451CS..PPolyproline II helixtrans-90.9133.7171.5-67.8-87.4000108.2D216 F218 R222 W394 S398 L530D216-Y396 WeakPolarHBondContact OD2-CE1 3.41Å; D216-Y396 PolarHBondContact OD2-OH 3.36Å; F218-Y396 HydrophobicContact CB-CD1 3.82Å; F218-Y396 HydrophobicContact CB-CE1 3.82Å; F218-Y396 HydrophobicContact CD1-CD1 4.36Å; F218-Y396 AromaticContact CD2-CD1 3.58Å; F218-Y396 HydrophobicContact CD2-CD1 3.58Å; F218-Y396 AromaticContact CD2-CE1 3.21Å; F218-Y396 HydrophobicContact CD2-CE1 3.21Å; F218-Y396 HydrophobicContact CE2-CD1 4.28Å; F218-Y396 AromaticContact CE2-CE1 4Å; F218-Y396 HydrophobicContact CE2-CE1 4Å; F218-Y396 AromaticContact CG-CD1 3.64Å; F218-Y396 HydrophobicContact CG-CD1 3.64Å; F218-Y396 AromaticContact CG-CE1 3.68Å; F218-Y396 HydrophobicContact CG-CE1 3.68Å; R222-Y396 PolarHBondContact NH2-OH 3.21Å; W394-Y396 HydrophobicContact CB-CE2 4.11Å; Y396-S398 PolarHBondContact O-N 3.32Å; Y396-L530 VanDerWaalsContact CD2-O 3.27Å; Y396-L530 WeakPolarHBondContact CD2-O 3.5Å; Y396-L530 HydrophobicContact CE2-CB 4.13Å; Y396-L530 WeakPolarHBondContact CE2-O 3.36Å; Y396-L530 WeakPolarHBondContact OH-CB 3.5Å
397P51.9Low56Low95 Ų9579.6 Ų79.662%0.61748%0.481SS*.  trans-63106169.117.8-18.2000107.9S399P397-S399 PolarHBondContact O-N 3.02Å; P397-S399 PolarHBondContact O-OG 3.39Å
398S41.3Very low53.1Low126 Ų12683.3 Ų83.388%0.88151%0.511SS*.  trans-59.4104.1173.8-61.60000108.6Y396Y396-S398 PolarHBondContact O-N 3.32Å
399S42.2Very low50.2Low42 Ų4284.7 Ų84.729%0.29453%0.528SS..  trans-105.696.9173.9-47.60000106.3P397 I401 D443P397-S399 PolarHBondContact O-N 3.02Å; P397-S399 PolarHBondContact O-OG 3.39Å; S399-I401 PolarHBondContact O-N 2.69Å; S399-D443 VanDerWaalsContact O-OD2 3.06Å
400S29.9Very low47.2Very low90 Ų9088 Ų8863%0.62955%0.554SS**  trans-67.582.3173.251.60000109.5
401I38.6Very low44.3Very low61 Ų6194 Ų9431%0.31360%0.595SS.*SBendtrans-89.4-21.8171.3-63.4179.5000110.2S399 F416 D443S399-I401 PolarHBondContact O-N 2.69Å; I401-F416 HydrophobicContact CD1-CE1 4.3Å; I401-F416 HydrophobicContact CD1-CZ 4.43Å; I401-F416 HydrophobicContact CG1-CE1 3.62Å; I401-F416 HydrophobicContact CG1-CZ 3.58Å; I401-D443 HydrophobicContact CD1-CB 3.82Å
402I34.2Very low41.5Very low66 Ų6697.4 Ų97.434%0.33861%0.614SS.*  trans-143.366.5-169.4-37.2-179.8000111.7E439I402-E439 HydrophobicContact CD1-CB 4.14Å; I402-E439 HydrophobicContact CD1-CG 3.73Å; I402-E439 HydrophobicContact CG2-CG 4.12Å
403S25.8Very low38.7Very low106 Ų10697.1 Ų97.174%0.74163%0.626SS**  trans-11977.9157.3-61.70000107.7S405S403-S405 PolarHBondContact O-N 2.86Å; S403-S405 VanDerWaalsContact O-N 3.08Å
404S27.1Very low36.5Very low104 Ų10493.8 Ų93.873%0.72762%0.615SS**  trans-66.9103.1165.514.60000108.3S406S404-S406 PolarHBondContact O-N 2.86Å
405S26.6Very low34.1Very low96 Ų9695.5 Ų95.567%0.67164%0.638SS**  trans-52.1112.2169.822.80000111.7S403 S407S403-S405 PolarHBondContact O-N 2.86Å; S403-S405 VanDerWaalsContact O-N 3.08Å; S405-S407 PolarHBondContact O-N 2.81Å
406S25.6Very low32.4Very low122 Ų12292.3 Ų92.385%0.85361%0.614SS**SBendtrans-74.372.7153.647.80000109.5S404S404-S406 PolarHBondContact O-N 2.86Å
407S26.1Very low30.7Very low89 Ų8997.3 Ų97.362%0.62265%0.65SS**SBendtrans171.1129.6154.547.90000112S405S405-S407 PolarHBondContact O-N 2.81Å
408S26.3Very low29.6Very low107 Ų10795.8 Ų95.875%0.74865%0.652SS**  trans68111.8159.650.80000119.3S410S408-S410 PolarHBondContact O-N 2.9Å; S408-S410 VanDerWaalsContact O-N 3.15Å
409S28.1Very low29.1Very low122 Ų12298.1 Ų98.185%0.85365%0.648SS**  trans-35.9101.1154.940.50000114.7
410S26.6Very low28.5Very low98 Ų98101.6 Ų101.669%0.68567%0.672SS**  trans-160.5134.4145.5-35.60000110S408 S412S408-S410 PolarHBondContact O-N 2.9Å; S408-S410 VanDerWaalsContact O-N 3.15Å; S410-S412 PolarHBondContact O-N 3Å; S410-S412 PolarHBondContact O-OG 3.13Å
411S26.8Very low28.6Very low135 Ų13599.1 Ų99.194%0.94465%0.654SS**  trans-42.9106.1174.1-35.50000112.4
412S25.8Very low28.3Very low102 Ų102102 Ų10271%0.71367%0.67SS**  trans-121.1109.4175.125.30000110S410S410-S412 PolarHBondContact O-N 3Å; S410-S412 PolarHBondContact O-OG 3.13Å
413S25.8Very low28.4Very low105 Ų105105.2 Ų105.273%0.73469%0.688SS**  trans-59.5127.4175.447.80000112.5S415S413-S415 PolarHBondContact O-N 3.14Å
414L30.2Very low29Very low78 Ų78104.9 Ų104.941%0.40868%0.677SS.*  trans-75113.2169.2-77.1135.9000110.4F416 N425L414-F416 HydrophobicContact CD2-CE2 3.99Å; L414-F416 HydrophobicContact CD2-CZ 4.38Å; L414-N425 WeakPolarHBondContact CD1-OD1 3.42Å
415S24Very low29.5Very low105 Ų105103.2 Ų103.273%0.73466%0.66SS**  trans-118.5121.9168.946.80000109.6S413S413-S415 PolarHBondContact O-N 3.14Å
416F32.8Very low30Very low58 Ų58104.9 Ų104.925%0.25466%0.661SS.*  trans-106.7140.6164.5-56.5-112.8000108.8I401 L414 T421I401-F416 HydrophobicContact CD1-CE1 4.3Å; I401-F416 HydrophobicContact CD1-CZ 4.43Å; I401-F416 HydrophobicContact CG1-CE1 3.62Å; I401-F416 HydrophobicContact CG1-CZ 3.58Å; L414-F416 HydrophobicContact CD2-CE2 3.99Å; L414-F416 HydrophobicContact CD2-CZ 4.38Å; F416-T421 HydrophobicContact CB-CG2 3.42Å; F416-T421 VanDerWaalsContact CB-CG2 3.42Å; F416-T421 HydrophobicContact CD2-CG2 3.15Å; F416-T421 HydrophobicContact CE2-CG2 4.15Å; F416-T421 HydrophobicContact CG-CG2 3.55Å
417P28.4Very low30.7Very low136 Ų136103.2 Ų103.288%0.88364%0.643SS**SBendtrans-82.4118.717215.6-1000109.5
418G28.8Very low31.5Very low64 Ų64106.5 Ų106.566%0.6665%0.653SS**SBendtrans132.2-25157.900000117.3
419H31.2Very low32.6Very low175 Ų175109.1 Ų109.181%0.8166%0.659SS**SBendtrans-149138.6172.9-81.6-63.9000109.9T421H419-T421 WeakPolarHBondContact O-CG2 3.47Å; H419-T421 PolarHBondContact O-N 3.11Å
420S29.5Very low34.2Very low114 Ų114105.5 Ų105.580%0.79763%0.63SS**  trans-46.6107-172.6-83.40000113.8N422S420-N422 VanDerWaalsContact C-N 3.26Å; S420-N422 PolarHBondContact O-N 3.42Å
421T33.3Very low36.2Very low38 Ų38103.8 Ų103.823%0.23362%0.618CS.*  trans-8611.7177.448.70000114.2F416 H419 N423F416-T421 HydrophobicContact CB-CG2 3.42Å; F416-T421 VanDerWaalsContact CB-CG2 3.42Å; F416-T421 HydrophobicContact CD2-CG2 3.15Å; F416-T421 HydrophobicContact CE2-CG2 4.15Å; F416-T421 HydrophobicContact CG-CG2 3.55Å; H419-T421 WeakPolarHBondContact O-CG2 3.47Å; H419-T421 PolarHBondContact O-N 3.11Å; T421-N423 PolarHBondContact O-N 2.97Å
422N31.3Very low38.5Very low123 Ų123105.1 Ų105.166%0.65861%0.609SS**THydrogen-bonded Turntrans-68.4-4.4-178.4-74.5-6.3000114.3S420S420-N422 VanDerWaalsContact C-N 3.26Å; S420-N422 PolarHBondContact O-N 3.42Å
423N35.8Very low40.9Very low132 Ų132104.9 Ų104.971%0.70660%0.595SS**THydrogen-bonded Turntrans-101.2-13.1-176.9-80.7-11.1000115.8T421T421-N423 PolarHBondContact O-N 2.97Å
424L38.6Very low43.7Very low99 Ų99100.4 Ų100.452%0.51856%0.563SS.*THydrogen-bonded Turntrans-82.5-33178.4-125.582.5000112.4
425N37.3Very low46.4Very low69 Ų69101.9 Ų101.937%0.36957%0.566SS.*THydrogen-bonded Turntrans-81.9-13.4-174.6-76.12.4000115.3L414L414-N425 WeakPolarHBondContact CD1-OD1 3.42Å
426N38.3Very low49.4Very low131 Ų131103.2 Ų103.270%0.70156%0.556SS**THydrogen-bonded Turntrans-92.5-4.3-178.9-79.8-10.6000113.9N428N426-N428 PolarHBondContact O-N 3.19Å
427N39.3Very low52Low88 Ų88101.1 Ų101.147%0.47155%0.547SS..  trans-96.666.1178.2-76.8-11.4000111.7N429 L430N427-N429 PolarHBondContact O-N 3.33Å; N427-L430 PolarHBondContact O-N 3.31Å
428N44.1Very low55.1Low157 Ų15795.5 Ų95.584%0.8451%0.509SS*.THydrogen-bonded Turntrans-63.33.4169.7-76.8-20.2000114.1N426N426-N428 PolarHBondContact O-N 3.19Å
429N49.7Very low58.1Low163 Ų16396.6 Ų96.687%0.87250%0.497SS*.THydrogen-bonded Turntrans-110.39.8180-80.2-12.6000114.5N427 S431N427-N429 PolarHBondContact O-N 3.33Å; N429-S431 PolarHBondContact O-N 3.09Å; N429-S431 VanDerWaalsContact O-N 3.08Å
430L59.9Low61Low46 Ų4691.8 Ų91.824%0.24147%0.474CS..  trans-71.3109.7176.5-159.379.3000110.2N427 E432 F434 K435 L438 L453N427-L430 PolarHBondContact O-N 3.31Å; L430-E432 PolarHBondContact O-N 2.87Å; L430-F434 HydrophobicContact CD1-CB 4.19Å; L430-F434 HydrophobicContact CD1-CD2 4.43Å; L430-F434 HydrophobicContact CD2-CB 4.02Å; L430-F434 HydrophobicContact CG-CB 3.93Å; L430-K435 HydrophobicContact CD2-CG 4.05Å; L430-L438 HydrophobicContact CD2-CD1 3.72Å; L430-L453 HydrophobicContact CD1-CB 4.48Å; L430-L453 HydrophobicContact CD1-CD1 4.13Å
431S69.6Low64.1Low61 Ų6186.4 Ų86.443%0.42744%0.436SS..  trans-45.3136.7174.7174.50000111N429 K433 F434 K435N429-S431 PolarHBondContact O-N 3.09Å; N429-S431 VanDerWaalsContact O-N 3.08Å; S431-K433 PolarHBondContact O-N 2.71Å; S431-K433 PolarHBondContact OG-N 3.04Å; S431-F434 PolarHBondContact O-N 3.29Å; S431-K435 PolarHBondContact O-N 3.17Å
432E75.7Confident66.9Low163 Ų16384.6 Ų84.676%0.76243%0.425SS*.Hα-helixtrans-50.4-32.2175.6-70.3-165.7151.400112.4L430 F434 K435 Y436L430-E432 PolarHBondContact O-N 2.87Å; E432-F434 VanDerWaalsContact C-N 3.26Å; E432-F434 PolarHBondContact O-N 3.48Å; E432-K435 PolarHBondContact O-N 3.46Å; E432-Y436 PolarHBondContact O-N 2.89Å; E432-Y436 VanDerWaalsContact O-N 3.09Å
433K75.7Confident69.7Low98 Ų9880.4 Ų80.443%0.42640%0.403SS..Hα-helixtrans-55.7-39.9176.2-160.5-178.8-166.8-165.20112.2S431 I437 F506S431-K433 PolarHBondContact O-N 2.71Å; S431-K433 PolarHBondContact OG-N 3.04Å; K433-I437 WeakPolarHBondContact O-CD1 3.16Å; K433-I437 WeakPolarHBondContact O-CG1 3.34Å; K433-I437 PolarHBondContact O-N 3.21Å; K433-F506 HydrophobicContact CD-CE1 3.76Å; K433-F506 HydrophobicContact CD-CZ 4.16Å; K433-F506 HydrophobicContact CG-CE1 4.23Å; K433-F506 VanDerWaalsContact NZ-CE1 3.34Å; K433-F506 VanDerWaalsContact NZ-CZ 3.28Å
434F85.1Confident72.3Confident10 Ų1076.5 Ų76.54%0.04438%0.379CS..Hα-helixtrans-81.6-31.5179.1-70.9-52.8000113.4L430 S431 E432 Y436 I437 L438 L453 L503 F506 M507L430-F434 HydrophobicContact CD1-CB 4.19Å; L430-F434 HydrophobicContact CD1-CD2 4.43Å; L430-F434 HydrophobicContact CD2-CB 4.02Å; L430-F434 HydrophobicContact CG-CB 3.93Å; S431-F434 PolarHBondContact O-N 3.29Å; E432-F434 VanDerWaalsContact C-N 3.26Å; E432-F434 PolarHBondContact O-N 3.48Å; F434-Y436 VanDerWaalsContact C-N 3.3Å; F434-Y436 PolarHBondContact O-N 3.33Å; F434-I437 HydrophobicContact CD1-CD1 3.8Å; F434-I437 HydrophobicContact CE1-CD1 4.25Å; F434-I437 PolarHBondContact O-N 3.49Å; F434-L438 VanDerWaalsContact O-CG 3.27Å; F434-L438 WeakPolarHBondContact O-CG 3.42Å; F434-L438 PolarHBondContact O-N 3.4Å; F434-L453 HydrophobicContact CB-CD1 4.3Å; F434-L453 HydrophobicContact CB-CD2 4.36Å; F434-L453 HydrophobicContact CD1-CD2 3.59Å; F434-L453 HydrophobicContact CD2-CD2 3.71Å; F434-L453 HydrophobicContact CE1-CD2 3.65Å; F434-L453 HydrophobicContact CE2-CD2 3.71Å; F434-L453 HydrophobicContact CG-CD1 4.4Å; F434-L453 HydrophobicContact CG-CD2 3.63Å; F434-L453 HydrophobicContact CZ-CD2 3.67Å; F434-L503 HydrophobicContact CD1-CD2 4.18Å; F434-L503 HydrophobicContact CE1-CB 4.45Å; F434-L503 HydrophobicContact CE1-CD2 3.52Å; F434-L503 HydrophobicContact CZ-CB 4.46Å; F434-L503 HydrophobicContact CZ-CD2 4.32Å; F434-F506 HydrophobicContact CE1-CD1 4.48Å; F434-M507 HydrophobicContact CE1-CG 4.45Å; F434-M507 HydrophobicContact CE2-CE 3.9Å; F434-M507 HydrophobicContact CE2-CG 3.87Å; F434-M507 HydrophobicContact CE2-SD 3.42Å; F434-M507 WeakPolarHBondContact CE2-SD 3.46Å; F434-M507 HydrophobicContact CZ-CE 4.4Å; F434-M507 HydrophobicContact CZ-CG 3.42Å; F434-M507 VanDerWaalsContact CZ-CG 3.42Å; F434-M507 HydrophobicContact CZ-SD 3.38Å; F434-M507 WeakPolarHBondContact CZ-SD 3.37Å
435K86.2Confident74.9Confident109 Ų10971.8 Ų71.847%0.47435%0.354SS..Hα-helixtrans-57.1-48.3171.9-68.1-176.7-179.2177.90110.5L430 S431 E432 I437 L438 E439L430-K435 HydrophobicContact CD2-CG 4.05Å; S431-K435 PolarHBondContact O-N 3.17Å; E432-K435 PolarHBondContact O-N 3.46Å; K435-I437 VanDerWaalsContact C-N 3.29Å; K435-I437 PolarHBondContact O-N 2.86Å; K435-L438 PolarHBondContact O-N 3.1Å; K435-L438 VanDerWaalsContact O-N 3.15Å; K435-E439 WeakPolarHBondContact O-CG 3.24Å; K435-E439 PolarHBondContact O-N 2.86Å
436Y86.2Confident77.7Confident134 Ų13468.9 Ų68.953%0.52534%0.34SS..Hα-helixtrans-59.3-37.2176.4179.6-106.4000113.5E432 F434 K440E432-Y436 PolarHBondContact O-N 2.89Å; E432-Y436 VanDerWaalsContact O-N 3.09Å; F434-Y436 VanDerWaalsContact C-N 3.3Å; F434-Y436 PolarHBondContact O-N 3.33Å; Y436-K440 HydrophobicContact CE1-CD 4.33Å; Y436-K440 VanDerWaalsContact CE1-NZ 3.26Å; Y436-K440 VanDerWaalsContact CZ-NZ 3.33Å; Y436-K440 WeakPolarHBondContact OH-CE 3.3Å; Y436-K440 PolarHBondContact OH-NZ 3.33Å
437I88.3Confident80.2Confident13 Ų1367.4 Ų67.47%0.06733%0.328CS..Hα-helixtrans-67.4-45176.2-70.8159.8000110.9K433 F434 K435 E439 K440 F506 L515 L516K433-I437 WeakPolarHBondContact O-CD1 3.16Å; K433-I437 WeakPolarHBondContact O-CG1 3.34Å; K433-I437 PolarHBondContact O-N 3.21Å; F434-I437 HydrophobicContact CD1-CD1 3.8Å; F434-I437 HydrophobicContact CE1-CD1 4.25Å; F434-I437 PolarHBondContact O-N 3.49Å; K435-I437 VanDerWaalsContact C-N 3.29Å; K435-I437 PolarHBondContact O-N 2.86Å; I437-E439 VanDerWaalsContact C-N 3.35Å; I437-K440 PolarHBondContact O-N 3.19Å; I437-F506 HydrophobicContact CD1-CE1 3.79Å; I437-F506 HydrophobicContact CD1-CZ 4.32Å; I437-L515 HydrophobicContact CD1-CD2 3.49Å; I437-L515 VanDerWaalsContact CD1-CD2 3.49Å; I437-L515 HydrophobicContact CG1-CD2 4.28Å; I437-L515 HydrophobicContact CG2-CD2 4.27Å; I437-L516 HydrophobicContact CG2-CD1 4.18Å; I437-L516 HydrophobicContact CG2-CD2 3.96Å; I437-L516 HydrophobicContact CG2-CG 4.29Å
438L93Very high82.8Confident18 Ų1864.2 Ų64.29%0.09431%0.311CS..Hα-helixtrans-66.6-37-179.4-66.5169.1000111.8L430 F434 K435 K440 L441 A446 V449 C450 L453L430-L438 HydrophobicContact CD2-CD1 3.72Å; F434-L438 VanDerWaalsContact O-CG 3.27Å; F434-L438 WeakPolarHBondContact O-CG 3.42Å; F434-L438 PolarHBondContact O-N 3.4Å; K435-L438 PolarHBondContact O-N 3.1Å; K435-L438 VanDerWaalsContact O-N 3.15Å; L438-K440 PolarHBondContact O-N 2.97Å; L438-L441 PolarHBondContact O-N 3.36Å; L438-A446 HydrophobicContact CB-CB 4.45Å; L438-A446 HydrophobicContact CD2-CB 4.16Å; L438-V449 HydrophobicContact CD2-CB 3.96Å; L438-V449 HydrophobicContact CD2-CG1 3.92Å; L438-C450 WeakPolarHBondContact CD1-SG 3.47Å; L438-L453 HydrophobicContact CD1-CD1 4.06Å; L438-L453 HydrophobicContact CD2-CD1 4.26Å; L438-L453 HydrophobicContact CG-CD1 4.4Å
439E91.6Very high85.2Confident88 Ų8856.8 Ų56.841%0.41127%0.271SS..Hα-helixtrans-61.9-25.4176-77.4168.8-175.200113.6I402 K435 I437 L441 Q524I402-E439 HydrophobicContact CD1-CB 4.14Å; I402-E439 HydrophobicContact CD1-CG 3.73Å; I402-E439 HydrophobicContact CG2-CG 4.12Å; K435-E439 WeakPolarHBondContact O-CG 3.24Å; K435-E439 PolarHBondContact O-N 2.86Å; I437-E439 VanDerWaalsContact C-N 3.35Å; E439-L441 VanDerWaalsContact C-N 3.35Å; E439-Q524 VanDerWaalsContact O-CD 3.24Å; E439-Q524 PolarHBondContact O-NE2 3.36Å; E439-Q524 VanDerWaalsContact O-NE2 3.1Å; E439-Q524 PolarHBondContact O-OE1 3.39Å
440K93.2Very high87.2Confident74 Ų7450.3 Ų50.332%0.32224%0.238SC..THydrogen-bonded Turntrans-78.9-18.8175.2-71.6-174.7178-177.30113.6Y436 I437 L438 L516 L523 Q524Y436-K440 HydrophobicContact CE1-CD 4.33Å; Y436-K440 VanDerWaalsContact CE1-NZ 3.26Å; Y436-K440 VanDerWaalsContact CZ-NZ 3.33Å; Y436-K440 WeakPolarHBondContact OH-CE 3.3Å; Y436-K440 PolarHBondContact OH-NZ 3.33Å; I437-K440 PolarHBondContact O-N 3.19Å; L438-K440 PolarHBondContact O-N 2.97Å; K440-L516 HydrophobicContact CB-CD1 3.99Å; K440-L516 HydrophobicContact CD-CD1 4.19Å; K440-L523 HydrophobicContact CB-CD2 4.2Å; K440-L523 CarbonylContact O-C 3.54Å; K440-L523 WeakPolarHBondContact O-CA 3.47Å; K440-Q524 PolarHBondContact O-N 3.03Å
441L94.2Very high88.8Confident0 Ų053.6 Ų53.60%025%0.251CS..BIsolated β-bridgetrans-92.1153.2-174.7-65.5172.4000111L438 E439 A445 A446 V449 L497 L516 W522 L523 Q524L438-L441 PolarHBondContact O-N 3.36Å; E439-L441 VanDerWaalsContact C-N 3.35Å; L441-A445 HydrophobicContact CB-CB 4.1Å; L441-A445 HydrophobicContact CD2-CB 4.37Å; L441-A446 HydrophobicContact CB-CB 4.18Å; L441-V449 HydrophobicContact CD1-CB 4.38Å; L441-V449 HydrophobicContact CD1-CG2 3.87Å; L441-L497 HydrophobicContact CD1-CD2 4.42Å; L441-L497 HydrophobicContact CD2-CD2 4.19Å; L441-L516 HydrophobicContact CD1-CD2 4.46Å; L441-L516 HydrophobicContact CD2-CD1 4.27Å; L441-L516 HydrophobicContact CD2-CD2 4.17Å; L441-L516 HydrophobicContact CG-CD1 4.43Å; L441-W522 CarbonylContact C-O 3.56Å; L441-W522 WeakPolarHBondContact CA-O 3.41Å; L441-W522 HydrophobicContact CD2-CB 3.9Å; L441-L523 HydrophobicContact CD2-CD2 4.25Å; L441-Q524 VanDerWaalsContact O-CG 3.25Å; L441-Q524 WeakPolarHBondContact O-CG 3.33Å; L441-Q524 PolarHBondContact O-NE2 2.93Å
442T92.4Very high89.9Confident1 Ų153.6 Ų53.61%0.00624%0.241CC..  trans-61.1152.4165.758.20000110.1G217 F218 Y444 A445 A446 W522 N527G217-T442 WeakPolarHBondContact O-CB 3.28Å; G217-T442 VanDerWaalsContact O-CG2 3.32Å; G217-T442 WeakPolarHBondContact O-CG2 3.38Å; G217-T442 PolarHBondContact O-OG1 3.16Å; F218-T442 HydrophobicContact CD1-CG2 3.89Å; F218-T442 HydrophobicContact CE1-CG2 3.46Å; F218-T442 VanDerWaalsContact CE1-CG2 3.46Å; F218-T442 HydrophobicContact CE2-CG2 4.37Å; F218-T442 HydrophobicContact CG-CG2 4.44Å; F218-T442 HydrophobicContact CZ-CG2 3.68Å; T442-Y444 PolarHBondContact O-N 3.46Å; T442-Y444 VanDerWaalsContact O-N 3.14Å; T442-A445 PolarHBondContact O-N 3.49Å; T442-A446 WeakPolarHBondContact O-CB 3.15Å; T442-A446 PolarHBondContact O-N 2.96Å; T442-W522 PolarHBondContact N-O 3.19Å; T442-N527 HydrophobicContact CG2-CB 4.22Å
443D89.7Confident90.6Very high35 Ų3546.7 Ų46.719%0.18721%0.21CC..Hα-helixtrans-51.4-43.2-177-63.5-36.1000112.5S399 I401 A446 E447S399-D443 VanDerWaalsContact O-OD2 3.06Å; I401-D443 HydrophobicContact CD1-CB 3.82Å; D443-A446 PolarHBondContact O-N 2.97Å; D443-E447 WeakPolarHBondContact O-CB 3.39Å; D443-E447 PolarHBondContact O-N 3.05Å
444Y90.1Very high91.3Very high50 Ų5046.1 Ų46.120%0.19621%0.214CC..Hα-helixtrans-56.5-51.7175.9175.2-94.8000112.1F218 L354 T356 T442 E447 M448 W522F218-Y444 WeakPolarHBondContact O-CB 3.4Å; L354-Y444 PolarHBondContact O-OH 3.17Å; T356-Y444 PolarHBondContact OG1-OH 3.45Å; T442-Y444 PolarHBondContact O-N 3.46Å; T442-Y444 VanDerWaalsContact O-N 3.14Å; Y444-E447 PolarHBondContact O-N 3.46Å; Y444-M448 HydrophobicContact CD1-SD 4.32Å; Y444-M448 HydrophobicContact CE1-CG 4.45Å; Y444-M448 HydrophobicContact CE1-SD 3.51Å; Y444-M448 VanDerWaalsContact CE1-SD 3.51Å; Y444-M448 WeakPolarHBondContact O-CG 3.41Å; Y444-M448 PolarHBondContact O-N 2.89Å; Y444-W522 HydrophobicContact CD1-CE3 4.25Å; Y444-W522 HydrophobicContact CD1-CH2 4.03Å; Y444-W522 AromaticContact CD1-CZ3 3.61Å; Y444-W522 HydrophobicContact CD1-CZ3 3.61Å; Y444-W522 AromaticContact CE1-CH2 3.68Å; Y444-W522 HydrophobicContact CE1-CH2 3.68Å; Y444-W522 AromaticContact CE1-CZ3 3.77Å; Y444-W522 HydrophobicContact CE1-CZ3 3.77Å
445A94.3Very high91.6Very high0 Ų049.9 Ų49.90%023%0.23CC..Hα-helixtrans-69.9-37.6-179.300000112.4L441 T442 M448 V449 L497 W522L441-A445 HydrophobicContact CB-CB 4.1Å; L441-A445 HydrophobicContact CD2-CB 4.37Å; T442-A445 PolarHBondContact O-N 3.49Å; A445-M448 WeakPolarHBondContact O-CB 3.41Å; A445-M448 PolarHBondContact O-N 2.91Å; A445-V449 WeakPolarHBondContact O-CG2 3.27Å; A445-V449 PolarHBondContact O-N 2.77Å; A445-L497 HydrophobicContact CB-CD1 4.06Å; A445-L497 HydrophobicContact CB-CD2 3.88Å; A445-W522 HydrophobicContact CB-CB 3.63Å; A445-W522 HydrophobicContact CB-CD2 4.07Å; A445-W522 HydrophobicContact CB-CE3 4.11Å; A445-W522 HydrophobicContact CB-CG 3.92Å
446A94.3Very high91.8Very high8 Ų844.9 Ų44.97%0.06621%0.209CC..Hα-helixtrans-60.9-44.4175.500000110.9L438 L441 T442 D443 M448 V449 C450L438-A446 HydrophobicContact CB-CB 4.45Å; L438-A446 HydrophobicContact CD2-CB 4.16Å; L441-A446 HydrophobicContact CB-CB 4.18Å; T442-A446 WeakPolarHBondContact O-CB 3.15Å; T442-A446 PolarHBondContact O-N 2.96Å; D443-A446 PolarHBondContact O-N 2.97Å; A446-M448 VanDerWaalsContact C-N 3.31Å; A446-M448 PolarHBondContact O-N 3.48Å; A446-V449 PolarHBondContact O-N 3.3Å; A446-C450 WeakPolarHBondContact O-CB 3.28Å; A446-C450 PolarHBondContact O-N 3.41Å; A446-C450 PolarHBondContact O-SG 3.28Å; A446-C450 VanDerWaalsContact O-SG 3.4Å
447E91.7Very high92Very high100 Ų10044.7 Ų44.747%0.46722%0.217SC..Hα-helixtrans-58.8-43.9176.1-168.5-164.6148.700111.6D443 Y444 C450 K451D443-E447 WeakPolarHBondContact O-CB 3.39Å; D443-E447 PolarHBondContact O-N 3.05Å; Y444-E447 PolarHBondContact O-N 3.46Å; E447-C450 WeakPolarHBondContact O-CB 3.3Å; E447-C450 PolarHBondContact O-N 2.98Å; E447-K451 WeakPolarHBondContact O-CG 3.4Å; E447-K451 PolarHBondContact O-N 3.1Å; E447-K451 VanDerWaalsContact OE1-CE 3.24Å; E447-K451 WeakPolarHBondContact OE1-CE 3.49Å; E447-K451 IonicContact OE1-NZ 3.26Å; E447-K451 PolarHBondContact OE1-NZ 3.47Å
448M93.3Very high92.1Very high21 Ų2149.3 Ų49.310%0.10324%0.242CC..Hα-helixtrans-61.8-46.3177.6-71.8-168.671.900112.6G355 Y444 A445 A446 K451 F491 L497G355-M448 WeakPolarHBondContact O-CE 3.4Å; Y444-M448 HydrophobicContact CD1-SD 4.32Å; Y444-M448 HydrophobicContact CE1-CG 4.45Å; Y444-M448 HydrophobicContact CE1-SD 3.51Å; Y444-M448 VanDerWaalsContact CE1-SD 3.51Å; Y444-M448 WeakPolarHBondContact O-CG 3.41Å; Y444-M448 PolarHBondContact O-N 2.89Å; A445-M448 WeakPolarHBondContact O-CB 3.41Å; A445-M448 PolarHBondContact O-N 2.91Å; A446-M448 VanDerWaalsContact C-N 3.31Å; A446-M448 PolarHBondContact O-N 3.48Å; M448-K451 PolarHBondContact O-N 3.02Å; M448-F491 HydrophobicContact CB-CZ 4.27Å; M448-F491 HydrophobicContact CE-CE2 3.51Å; M448-F491 HydrophobicContact CE-CZ 4Å; M448-L497 HydrophobicContact CB-CD1 3.88Å; M448-L497 HydrophobicContact CE-CD1 4.42Å; M448-L497 HydrophobicContact SD-CD1 3.93Å
449V94.7Very high92.2Very high1 Ų148.5 Ų48.51%0.00624%0.238CC..Hα-helixtrans-67.6-39.1178.7175.10000111L438 L441 A445 A446 K451 R452 L453 L497 L503L438-V449 HydrophobicContact CD2-CB 3.96Å; L438-V449 HydrophobicContact CD2-CG1 3.92Å; L441-V449 HydrophobicContact CD1-CB 4.38Å; L441-V449 HydrophobicContact CD1-CG2 3.87Å; A445-V449 WeakPolarHBondContact O-CG2 3.27Å; A445-V449 PolarHBondContact O-N 2.77Å; A446-V449 PolarHBondContact O-N 3.3Å; V449-K451 VanDerWaalsContact C-N 3.28Å; V449-K451 PolarHBondContact O-N 3.48Å; V449-R452 WeakPolarHBondContact O-CA 3.49Å; V449-R452 WeakPolarHBondContact O-CB 3.34Å; V449-R452 PolarHBondContact O-N 3.04Å; V449-L453 HydrophobicContact CG1-CD1 4.15Å; V449-L453 HydrophobicContact CG1-CG 4.38Å; V449-L453 PolarHBondContact O-N 2.88Å; V449-L497 HydrophobicContact CG2-CB 3.93Å; V449-L497 HydrophobicContact CG2-CD1 4.28Å; V449-L497 HydrophobicContact CG2-CD2 4.02Å; V449-L497 HydrophobicContact CG2-CG 4.3Å; V449-L503 HydrophobicContact CG1-CD1 4.36Å
450C92.6Very high92.4Very high26 Ų2649.1 Ų49.118%0.17624%0.244CC..Hα-helixtrans-53.7-43.1173.5-85.50000112.5L438 A446 E447 R452 L453 T454L438-C450 WeakPolarHBondContact CD1-SG 3.47Å; A446-C450 WeakPolarHBondContact O-CB 3.28Å; A446-C450 PolarHBondContact O-N 3.41Å; A446-C450 PolarHBondContact O-SG 3.28Å; A446-C450 VanDerWaalsContact O-SG 3.4Å; E447-C450 WeakPolarHBondContact O-CB 3.3Å; E447-C450 PolarHBondContact O-N 2.98Å; C450-R452 PolarHBondContact O-N 3.49Å; C450-L453 PolarHBondContact O-N 3.49Å; C450-T454 PolarHBondContact O-N 3.37Å
451K92.1Very high92.5Very high116 Ų11647.7 Ų47.750%0.50424%0.239SC..Hα-helixtrans-65.3-20.1176.3-69.1171-173.8165.70113.5E447 M448 V449 T454E447-K451 WeakPolarHBondContact O-CG 3.4Å; E447-K451 PolarHBondContact O-N 3.1Å; E447-K451 VanDerWaalsContact OE1-CE 3.24Å; E447-K451 WeakPolarHBondContact OE1-CE 3.49Å; E447-K451 IonicContact OE1-NZ 3.26Å; E447-K451 PolarHBondContact OE1-NZ 3.47Å; M448-K451 PolarHBondContact O-N 3.02Å; V449-K451 VanDerWaalsContact C-N 3.28Å; V449-K451 PolarHBondContact O-N 3.48Å; K451-T454 PolarHBondContact O-OG1 2.85Å; K451-T454 VanDerWaalsContact O-OG1 3.14Å
452R93.5Very high92.5Very high61 Ų6152.3 Ų52.323%0.2326%0.264CS..Hα-helixtrans-88.7-36.4175.1-58-48.9-177.9161.4-9.7112.2V449 C450 T454 K455 F491 E500 L503V449-R452 WeakPolarHBondContact O-CA 3.49Å; V449-R452 WeakPolarHBondContact O-CB 3.34Å; V449-R452 PolarHBondContact O-N 3.04Å; C450-R452 PolarHBondContact O-N 3.49Å; R452-T454 PolarHBondContact O-N 3.19Å; R452-K455 WeakPolarHBondContact O-CB 3.38Å; R452-K455 PolarHBondContact O-N 3.43Å; R452-F491 HydrophobicContact CG-CD1 4.01Å; R452-F491 HydrophobicContact CG-CE1 3.59Å; R452-F491 HydrophobicContact CG-CE2 4.17Å; R452-F491 HydrophobicContact CG-CG 4.47Å; R452-F491 HydrophobicContact CG-CZ 3.66Å; R452-F491 VanDerWaalsContact CZ-CD2 3.42Å; R452-F491 VanDerWaalsContact NE-CE2 3.29Å; R452-E500 WeakPolarHBondContact CD-OE2 3.37Å; R452-E500 IonicContact NH1-OE1 2.74Å; R452-E500 PolarHBondContact NH1-OE1 3.21Å; R452-E500 IonicContact NH1-OE2 2.88Å; R452-L503 HydrophobicContact CB-CD1 4.32Å
453L91.4Very high92.5Very high18 Ų1857 Ų579%0.09429%0.285CS..Hα-helixtrans-54.9-38.7176.3-78.2163.5000112.2L430 F434 L438 V449 C450 K455 V456 L503L430-L453 HydrophobicContact CD1-CB 4.48Å; L430-L453 HydrophobicContact CD1-CD1 4.13Å; F434-L453 HydrophobicContact CB-CD1 4.3Å; F434-L453 HydrophobicContact CB-CD2 4.36Å; F434-L453 HydrophobicContact CD1-CD2 3.59Å; F434-L453 HydrophobicContact CD2-CD2 3.71Å; F434-L453 HydrophobicContact CE1-CD2 3.65Å; F434-L453 HydrophobicContact CE2-CD2 3.71Å; F434-L453 HydrophobicContact CG-CD1 4.4Å; F434-L453 HydrophobicContact CG-CD2 3.63Å; F434-L453 HydrophobicContact CZ-CD2 3.67Å; L438-L453 HydrophobicContact CD1-CD1 4.06Å; L438-L453 HydrophobicContact CD2-CD1 4.26Å; L438-L453 HydrophobicContact CG-CD1 4.4Å; V449-L453 HydrophobicContact CG1-CD1 4.15Å; V449-L453 HydrophobicContact CG1-CG 4.38Å; V449-L453 PolarHBondContact O-N 2.88Å; C450-L453 PolarHBondContact O-N 3.49Å; L453-K455 PolarHBondContact O-N 3.3Å; L453-V456 HydrophobicContact CD2-CG2 4.44Å; L453-V456 WeakPolarHBondContact O-CB 3.42Å; L453-V456 WeakPolarHBondContact O-CG2 3.42Å; L453-V456 PolarHBondContact O-N 2.93Å; L453-L503 HydrophobicContact CD2-CD1 3.82Å; L453-L503 HydrophobicContact CD2-CD2 4.23Å; L453-L503 HydrophobicContact CD2-CG 4.48Å; L453-L503 HydrophobicContact CG-CD1 3.97Å
454T88.5Confident92.6Very high85 Ų8557.8 Ų57.852%0.52129%0.291SS..THydrogen-bonded Turntrans-65.3-9.3177.160.90000114.7C450 K451 R452C450-T454 PolarHBondContact O-N 3.37Å; K451-T454 PolarHBondContact O-OG1 2.85Å; K451-T454 VanDerWaalsContact O-OG1 3.14Å; R452-T454 PolarHBondContact O-N 3.19Å
455K91.4Very high92.7Very high89 Ų8958.5 Ų58.539%0.38730%0.298SS..THydrogen-bonded Turntrans-108.6-5.9-180-58.2-179-178.5-177.20113.5R452 L453 D457 N458 E500R452-K455 WeakPolarHBondContact O-CB 3.38Å; R452-K455 PolarHBondContact O-N 3.43Å; L453-K455 PolarHBondContact O-N 3.3Å; K455-D457 PolarHBondContact O-N 3.24Å; K455-N458 WeakPolarHBondContact O-CB 3.42Å; K455-N458 PolarHBondContact O-N 3.39Å; K455-E500 HydrophobicContact CB-CB 4.12Å; K455-E500 HydrophobicContact CB-CG 4.4Å
456V91.3Very high92.6Very high5 Ų564 Ų643%0.0332%0.324CS..G310 helixtrans-59-35-175.4170.10000111.9L453 N458 V459 E500 L503 K504 M507L453-V456 HydrophobicContact CD2-CG2 4.44Å; L453-V456 WeakPolarHBondContact O-CB 3.42Å; L453-V456 WeakPolarHBondContact O-CG2 3.42Å; L453-V456 PolarHBondContact O-N 2.93Å; V456-N458 PolarHBondContact O-N 2.9Å; V456-V459 WeakPolarHBondContact O-CB 3.39Å; V456-V459 PolarHBondContact O-N 3.28Å; V456-E500 HydrophobicContact CG2-CB 4.31Å; V456-L503 HydrophobicContact CG2-CB 3.83Å; V456-L503 HydrophobicContact CG2-CD1 4.19Å; V456-K504 HydrophobicContact CG1-CB 4.05Å; V456-K504 HydrophobicContact CG1-CD 3.69Å; V456-K504 HydrophobicContact CG1-CG 4.48Å; V456-K504 WeakPolarHBondContact O-CD 3.3Å; V456-M507 HydrophobicContact CG1-SD 3.81Å
457D89.4Confident92.6Very high130 Ų13069.3 Ų69.370%0.69534%0.343SS*.G310 helixtrans-70.2-19.1179.4-65.7-31.9000113.2K455 V459K455-D457 PolarHBondContact O-N 3.24Å; D457-V459 VanDerWaalsContact C-N 3.29Å
458N92.3Very high92.8Very high109 Ų10966.8 Ų66.858%0.58333%0.332SS*.G310 helixtrans-85.3-2.3176.5-57-33.4000112.9K455 V456K455-N458 WeakPolarHBondContact O-CB 3.42Å; K455-N458 PolarHBondContact O-N 3.39Å; V456-N458 PolarHBondContact O-N 2.9Å
459V94.7Very high93Very high1 Ų165.8 Ų65.81%0.00633%0.328CS..  trans-94.9127.2179.5177.30000110.2V456 D457 C471 T472 D473 E500 K504V456-V459 WeakPolarHBondContact O-CB 3.39Å; V456-V459 PolarHBondContact O-N 3.28Å; D457-V459 VanDerWaalsContact C-N 3.29Å; V459-C471 HydrophobicContact CG1-CB 3.81Å; V459-T472 WeakPolarHBondContact CA-O 3.42Å; V459-D473 HydrophobicContact CG2-CB 4.47Å; V459-E500 HydrophobicContact CG2-CB 4.06Å; V459-E500 HydrophobicContact CG2-CG 4.06Å; V459-K504 HydrophobicContact CB-CB 4.24Å; V459-K504 HydrophobicContact CB-CG 4.17Å; V459-K504 HydrophobicContact CG1-CB 4.07Å; V459-K504 HydrophobicContact CG1-CG 4.03Å; V459-K504 VanDerWaalsContact O-CE 3.3Å; V459-K504 WeakPolarHBondContact O-CE 3.33Å
460N95Very high93.1Very high102 Ų10268 Ų6855%0.54534%0.339SS..EExtended strand (participates in β ladder)trans-97.3145.1168.8-63.7-40.9000110.3C471 T472N460-C471 CarbonylContact O-C 3.56Å; N460-C471 WeakPolarHBondContact O-CA 3.41Å; N460-T472 PolarHBondContact N-O 2.65Å; N460-T472 PolarHBondContact O-N 3.15Å
461I95.9Very high93.3Very high43 Ų4366.7 Ų66.722%0.22133%0.33CS..EExtended strand (participates in β ladder)trans-105.1109.3169.7-59.3175.1000106.4A469 K504 V505 V508I461-A469 HydrophobicContact CG2-CB 4.48Å; I461-K504 HydrophobicContact CD1-CG 3.95Å; I461-K504 HydrophobicContact CG1-CG 4.01Å; I461-V505 HydrophobicContact CD1-CG2 4.06Å; I461-V505 HydrophobicContact CG1-CG2 4.39Å; I461-V508 HydrophobicContact CD1-CB 4.03Å; I461-V508 HydrophobicContact CD1-CG1 4.41Å; I461-V508 HydrophobicContact CD1-CG2 4.17Å
462D93.1Very high93.4Very high98 Ų9862.5 Ų62.552%0.52431%0.314SS..EExtended strand (participates in β ladder)trans-86.9-30-175.2-58.7-51.9000111.8L470 T472D462-L470 PolarHBondContact N-O 3.27Å; D462-T472 PolarHBondContact OD1-OG1 3.38Å; D462-T472 WeakPolarHBondContact OD2-CB 3.47Å; D462-T472 WeakPolarHBondContact OD2-CG2 3.24Å; D462-T472 PolarHBondContact OD2-OG1 3.45Å
463F92.7Very high93.3Very high100 Ų10060.9 Ų60.944%0.43931%0.31SS..EExtended strand (participates in β ladder)trans-151.1146.5-179.4173.8-96.9000110.6N465 A469 L470F463-N465 HydrophobicContact CE1-CB 3.98Å; F463-N465 HydrophobicContact CZ-CB 3.88Å; F463-A469 CarbonylContact O-C 3.59Å; F463-A469 VanDerWaalsContact O-CA 3.29Å; F463-A469 WeakPolarHBondContact O-CA 3.42Å; F463-L470 HydrophobicContact CB-CB 4.13Å; F463-L470 HydrophobicContact CB-CD1 4.11Å; F463-L470 HydrophobicContact CB-CG 4.24Å; F463-L470 HydrophobicContact CD1-CD1 4.26Å; F463-L470 HydrophobicContact CD1-CG 4.19Å; F463-L470 PolarHBondContact O-N 3.02Å
464T92.3Very high92.5Very high51 Ų5165 Ų6531%0.31334%0.34SS..EExtended strand (participates in β ladder)trans-146.7138173.3-172.40000109.8L468T464-L468 WeakPolarHBondContact CA-O 3.41Å
465N92.3Very high91.8Very high65 Ų6566.9 Ų66.935%0.34836%0.357SS..  trans-130.5-173166.370.626.8000109.2F463 Y467 L468 R482F463-N465 HydrophobicContact CE1-CB 3.98Å; F463-N465 HydrophobicContact CZ-CB 3.88Å; N465-Y467 PolarHBondContact O-N 3.35Å; N465-Y467 VanDerWaalsContact O-N 3.17Å; N465-Y467 PolarHBondContact OD1-N 3.08Å; N465-L468 PolarHBondContact N-O 2.85Å; N465-L468 PolarHBondContact OD1-N 3.47Å; N465-L468 PolarHBondContact OD1-O 3.27Å; N465-R482 PolarHBondContact O-NH1 2.91Å
466E91.6Very high91.6Very high115 Ų11569 Ų6954%0.53737%0.367SS..SBendtrans-53.6-36.1-178.8-166.6-177.7151.800113.5R482 H512E466-R482 PolarHBondContact O-NH1 3.38Å; E466-H512 PolarHBondContact O-CD2 3.02Å; E466-H512 PolarHBondContact O-NE2 3Å
467Y94.9Very high91.7Very high119 Ų11973.2 Ų73.247%0.46739%0.392SS..SBendtrans-111.9-23.4-168.9-50.7-52.6000114.5N465 R482 N483N465-Y467 PolarHBondContact O-N 3.35Å; N465-Y467 VanDerWaalsContact O-N 3.17Å; N465-Y467 PolarHBondContact OD1-N 3.08Å; Y467-R482 WeakPolarHBondContact O-CB 2.87Å; Y467-R482 PolarHBondContact O-N 3.19Å; Y467-N483 WeakPolarHBondContact CD1-ND2 3.15Å
468L96.5Very high92Very high48 Ų4869 Ų6925%0.25137%0.367SS..EExtended strand (participates in β ladder)trans-137.3144-168.3-167.780.3000110.6T464 N465 L470 E479 V480T464-L468 WeakPolarHBondContact CA-O 3.41Å; N465-L468 PolarHBondContact N-O 2.85Å; N465-L468 PolarHBondContact OD1-N 3.47Å; N465-L468 PolarHBondContact OD1-O 3.27Å; L468-L470 HydrophobicContact CD2-CD2 4.14Å; L468-E479 HydrophobicContact CD1-CB 4.19Å; L468-V480 CarbonylContact C-O 3.48Å; L468-V480 WeakPolarHBondContact CA-O 3.36Å
469A96.9Very high92.2Very high0 Ų068.7 Ų68.70%036%0.362CS..EExtended strand (participates in β ladder)trans-125.6141.1162.900000110.5I461 F463 V480 V505I461-A469 HydrophobicContact CG2-CB 4.48Å; F463-A469 CarbonylContact O-C 3.59Å; F463-A469 VanDerWaalsContact O-CA 3.29Å; F463-A469 WeakPolarHBondContact O-CA 3.42Å; A469-V480 HydrophobicContact CB-CB 4.33Å; A469-V480 PolarHBondContact N-O 2.88Å; A469-V480 PolarHBondContact O-N 3.38Å; A469-V505 HydrophobicContact CB-CG1 3.98Å; A469-V505 HydrophobicContact CB-CG2 3.65Å
470L97.1Very high92.3Very high46 Ų4668.6 Ų68.624%0.24136%0.361CS..EExtended strand (participates in β ladder)trans-100.5123.6171.1-61-179.3000108.6D462 F463 L468 Y478 E479D462-L470 PolarHBondContact N-O 3.27Å; F463-L470 HydrophobicContact CB-CB 4.13Å; F463-L470 HydrophobicContact CB-CD1 4.11Å; F463-L470 HydrophobicContact CB-CG 4.24Å; F463-L470 HydrophobicContact CD1-CD1 4.26Å; F463-L470 HydrophobicContact CD1-CG 4.19Å; F463-L470 PolarHBondContact O-N 3.02Å; L468-L470 HydrophobicContact CD2-CD2 4.14Å; L470-Y478 WeakPolarHBondContact CA-O 3.39Å; L470-E479 HydrophobicContact CD2-CB 4.47Å; L470-E479 HydrophobicContact CD2-CG 3.61Å
471C96.6Very high92.4Very high0 Ų065.9 Ų65.90%035%0.347CS..EExtended strand (participates in β ladder)trans-117146.8179.7-60.20000110.5V459 N460 V477 Y478 H501 V505V459-C471 HydrophobicContact CG1-CB 3.81Å; N460-C471 CarbonylContact O-C 3.56Å; N460-C471 WeakPolarHBondContact O-CA 3.41Å; C471-V477 CarbonylContact O-C 3.57Å; C471-V477 WeakPolarHBondContact O-CA 3.47Å; C471-Y478 PolarHBondContact N-O 3.4Å; C471-Y478 PolarHBondContact O-N 3.15Å; C471-H501 HydrophobicContact CB-CB 4.13Å; C471-V505 WeakPolarHBondContact SG-CG2 3.35Å
472T94.4Very high92.4Very high28 Ų2865.3 Ų65.317%0.17234%0.342CS..EExtended strand (participates in β ladder)trans-119.6134.2170.842.20000112.1V459 N460 D462 F476 V477V459-T472 WeakPolarHBondContact CA-O 3.42Å; N460-T472 PolarHBondContact N-O 2.65Å; N460-T472 PolarHBondContact O-N 3.15Å; D462-T472 PolarHBondContact OD1-OG1 3.38Å; D462-T472 WeakPolarHBondContact OD2-CB 3.47Å; D462-T472 WeakPolarHBondContact OD2-CG2 3.24Å; D462-T472 PolarHBondContact OD2-OG1 3.45Å; T472-F476 VanDerWaalsContact CA-O 3.25Å; T472-F476 WeakPolarHBondContact CA-O 3.42Å; T472-V477 HydrophobicContact CG2-CB 4.27Å; T472-V477 HydrophobicContact CG2-CG2 3.64Å
473D90.1Very high92.4Very high26 Ų2663.4 Ų63.414%0.13933%0.332CS..EExtended strand (participates in β ladder)trans-126.3137.4163.581.417.4000109.4V459 S475 F476 Y478 H501V459-D473 HydrophobicContact CG2-CB 4.47Å; D473-S475 PolarHBondContact O-N 3.44Å; D473-F476 PolarHBondContact N-O 3.06Å; D473-F476 VanDerWaalsContact N-O 3.14Å; D473-F476 PolarHBondContact O-N 3.21Å; D473-Y478 HydrophobicContact CB-CE2 4.36Å; D473-Y478 VanDerWaalsContact CG-CE2 3.47Å; D473-Y478 WeakPolarHBondContact OD1-CE2 3.38Å; D473-Y478 PolarHBondContact OD1-OH 3.37Å; D473-Y478 VanDerWaalsContact OD1-OH 3.14Å; D473-H501 VanDerWaalsContact CG-NE2 3.35Å; D473-H501 IonicContact OD2-CE1 2.72Å; D473-H501 PolarHBondContact OD2-CE1 3.42Å; D473-H501 IonicContact OD2-NE2 2.95Å; D473-H501 PolarHBondContact OD2-NE2 3.13Å
474S74.9Confident92.5Very high104 Ų10461.8 Ų61.873%0.72733%0.328SS*.THydrogen-bonded Turntrans40.733.9164-48.20000117.5
475S75.1Confident92.7Very high125 Ų12559.5 Ų59.587%0.87431%0.314SS*.THydrogen-bonded Turntrans94.11.8-177.3-33.60000118.8D473D473-S475 PolarHBondContact O-N 3.44Å
476F86.8Confident92.9Very high134 Ų13457.6 Ų57.659%0.58831%0.305SS*.EExtended strand (participates in β ladder)trans-109.3146.2175.2-65.4-79.9000111.5T472 D473 Y478T472-F476 VanDerWaalsContact CA-O 3.25Å; T472-F476 WeakPolarHBondContact CA-O 3.42Å; D473-F476 PolarHBondContact N-O 3.06Å; D473-F476 VanDerWaalsContact N-O 3.14Å; D473-F476 PolarHBondContact O-N 3.21Å; F476-Y478 HydrophobicContact CB-CD2 4.42Å; F476-Y478 HydrophobicContact CB-CE1 4.38Å; F476-Y478 HydrophobicContact CB-CE2 3.52Å; F476-Y478 WeakPolarHBondContact CB-OH 3.36Å
477V92.6Very high93.1Very high93 Ų9352.4 Ų52.456%0.56428%0.281SS*.EExtended strand (participates in β ladder)trans-103.2133.3174.2-176.60000108.8C471 T472C471-V477 CarbonylContact O-C 3.57Å; C471-V477 WeakPolarHBondContact O-CA 3.47Å; T472-V477 HydrophobicContact CG2-CB 4.27Å; T472-V477 HydrophobicContact CG2-CG2 3.64Å
478Y96.1Very high93.1Very high43 Ų4350.1 Ų50.117%0.16928%0.277CS..EExtended strand (participates in β ladder)trans-126.3145.8179-55.5-85.8000110.9L470 C471 D473 F476 N488 C489 H501L470-Y478 WeakPolarHBondContact CA-O 3.39Å; C471-Y478 PolarHBondContact N-O 3.4Å; C471-Y478 PolarHBondContact O-N 3.15Å; D473-Y478 HydrophobicContact CB-CE2 4.36Å; D473-Y478 VanDerWaalsContact CG-CE2 3.47Å; D473-Y478 WeakPolarHBondContact OD1-CE2 3.38Å; D473-Y478 PolarHBondContact OD1-OH 3.37Å; D473-Y478 VanDerWaalsContact OD1-OH 3.14Å; F476-Y478 HydrophobicContact CB-CD2 4.42Å; F476-Y478 HydrophobicContact CB-CE1 4.38Å; F476-Y478 HydrophobicContact CB-CE2 3.52Å; F476-Y478 WeakPolarHBondContact CB-OH 3.36Å; Y478-N488 VanDerWaalsContact CA-OD1 3.26Å; Y478-N488 WeakPolarHBondContact CA-OD1 3.43Å; Y478-N488 WeakPolarHBondContact CB-OD1 3.22Å; Y478-C489 HydrophobicContact CD1-CB 3.38Å; Y478-C489 HydrophobicContact CE1-CB 3.58Å; Y478-C489 HydrophobicContact CG-CB 4.16Å; Y478-H501 AromaticContact CD2-CD2 3.83Å; Y478-H501 AromaticContact CD2-CE1 3.16Å; Y478-H501 WeakPolarHBondContact CD2-CE1 3.45Å; Y478-H501 AromaticContact CD2-ND1 3.79Å; Y478-H501 AromaticContact CD2-NE2 3.18Å; Y478-H501 WeakPolarHBondContact CD2-NE2 3.46Å; Y478-H501 AromaticContact CE2-CE1 3.26Å; Y478-H501 WeakPolarHBondContact CE2-CE1 3.35Å; Y478-H501 AromaticContact CE2-NE2 3.38Å; Y478-H501 WeakPolarHBondContact CE2-NE2 3.37Å; Y478-H501 AromaticContact CG-CE1 3.58Å; Y478-H501 AromaticContact CG-ND1 3.78Å; Y478-H501 AromaticContact CG-NE2 3.96Å; Y478-H501 AromaticContact CZ-CE1 3.75Å
479E96.8Very high93Very high101 Ų10148.1 Ų48.147%0.47227%0.267SS..EExtended strand (participates in β ladder)trans-102.1127178.3-66.1-177.7175.600109L468 L470 C487 N488L468-E479 HydrophobicContact CD1-CB 4.19Å; L470-E479 HydrophobicContact CD2-CB 4.47Å; L470-E479 HydrophobicContact CD2-CG 3.61Å; E479-C487 VanDerWaalsContact O-CA 3.28Å; E479-C487 WeakPolarHBondContact O-CA 3.16Å; E479-N488 VanDerWaalsContact N-CG 3.34Å; E479-N488 PolarHBondContact N-ND2 2.89Å; E479-N488 PolarHBondContact N-OD1 3.5Å; E479-N488 PolarHBondContact O-N 3.44Å
480V97.6Very high92.8Very high0 Ų050.2 Ų50.20%028%0.281CS..EExtended strand (participates in β ladder)trans-111113.5173.8177.60000108.8L468 A469 T486 C487 H501 L502 V505L468-V480 CarbonylContact C-O 3.48Å; L468-V480 WeakPolarHBondContact CA-O 3.36Å; A469-V480 HydrophobicContact CB-CB 4.33Å; A469-V480 PolarHBondContact N-O 2.88Å; A469-V480 PolarHBondContact O-N 3.38Å; V480-T486 CarbonylContact C-O 3.54Å; V480-T486 WeakPolarHBondContact CA-O 3.18Å; V480-C487 HydrophobicContact CG2-CB 4.15Å; V480-H501 HydrophobicContact CG2-CB 3.9Å; V480-L502 HydrophobicContact CG1-CD1 3.55Å; V480-V505 HydrophobicContact CB-CG2 4.01Å; V480-V505 HydrophobicContact CG1-CB 3.99Å; V480-V505 HydrophobicContact CG1-CG1 4Å; V480-V505 HydrophobicContact CG1-CG2 4Å; V480-V505 HydrophobicContact CG2-CG2 3.98Å
481D96.8Very high92.6Very high44 Ų4448.9 Ų48.924%0.23527%0.274CS..EExtended strand (participates in β ladder)trans-83.4112.9172.8177.2-17.5000109.3N483 N484 A485 T486D481-N483 WeakPolarHBondContact OD1-CA 3.48Å; D481-N483 WeakPolarHBondContact OD1-CB 3.42Å; D481-N483 PolarHBondContact OD1-N 3.25Å; D481-N484 PolarHBondContact OD1-N 3.46Å; D481-N484 WeakPolarHBondContact OD2-CB 3.45Å; D481-N484 PolarHBondContact OD2-ND2 3.06Å; D481-A485 WeakPolarHBondContact O-CA 3.38Å; D481-A485 PolarHBondContact O-N 3.5Å; D481-T486 PolarHBondContact N-O 2.87Å; D481-T486 PolarHBondContact O-N 3.45Å; D481-T486 VanDerWaalsContact O-N 3.15Å
482R95.6Very high92.6Very high31 Ų3149 Ų4912%0.11728%0.275CS..THydrogen-bonded Turntrans-76.2-25.1-178.1-59.4177.166.3-157.8-4112.7N465 E466 Y467 V505 H509 G510 L511 H512N465-R482 PolarHBondContact O-NH1 2.91Å; E466-R482 PolarHBondContact O-NH1 3.38Å; Y467-R482 WeakPolarHBondContact O-CB 2.87Å; Y467-R482 PolarHBondContact O-N 3.19Å; R482-V505 HydrophobicContact CG-CG1 4.16Å; R482-H509 PolarHBondContact NH2-O 3.24Å; R482-G510 PolarHBondContact NE-O 2.79Å; R482-L511 HydrophobicContact CB-CD2 4.32Å; R482-L511 HydrophobicContact CG-CD2 4.33Å; R482-H512 PolarHBondContact O-N 3.36Å
483N93.8Very high92.5Very high58 Ų5850 Ų5031%0.3128%0.278SS..THydrogen-bonded Turntrans-75.2-36.4177.4-75.4-18000111.8Y467 D481 H512 K513Y467-N483 WeakPolarHBondContact CD1-ND2 3.15Å; D481-N483 WeakPolarHBondContact OD1-CA 3.48Å; D481-N483 WeakPolarHBondContact OD1-CB 3.42Å; D481-N483 PolarHBondContact OD1-N 3.25Å; N483-H512 PolarHBondContact OD1-CD2 3.33Å; N483-K513 WeakPolarHBondContact O-CD 3.38Å; N483-K513 VanDerWaalsContact O-CE 3.26Å; N483-K513 WeakPolarHBondContact O-CE 3.48Å; N483-K513 WeakPolarHBondContact O-CG 3.34Å
484N94.7Very high92.7Very high67 Ų6749.3 Ų49.336%0.35828%0.275SS..THydrogen-bonded Turntrans-104.4-3.8-176.8-66.9-53.8000114.4D481 T486 K513D481-N484 PolarHBondContact OD1-N 3.46Å; D481-N484 WeakPolarHBondContact OD2-CB 3.45Å; D481-N484 PolarHBondContact OD2-ND2 3.06Å; N484-T486 VanDerWaalsContact C-N 3.31Å; N484-T486 HydrophobicContact CB-CG2 4.34Å; N484-T486 PolarHBondContact O-N 3.25Å; N484-K513 PolarHBondContact OD1-NZ 3.46Å
485A95.5Very high93.7Very high2 Ų244.4 Ų44.42%0.01724%0.241CC..THydrogen-bonded Turntrans5448.8-17500000111.2D481 L502 L511 K513D481-A485 WeakPolarHBondContact O-CA 3.38Å; D481-A485 PolarHBondContact O-N 3.5Å; A485-L502 VanDerWaalsContact O-CD2 3.31Å; A485-L502 WeakPolarHBondContact O-CD2 3.46Å; A485-L511 HydrophobicContact CB-CD1 3.9Å; A485-K513 HydrophobicContact CB-CB 4.26Å
486T96.4Very high94.7Very high26 Ų2639 Ų3916%0.1620%0.202CC..EExtended strand (participates in β ladder)trans-127.5154.7-177.747.90000112V480 D481 N484 R518V480-T486 CarbonylContact C-O 3.54Å; V480-T486 WeakPolarHBondContact CA-O 3.18Å; D481-T486 PolarHBondContact N-O 2.87Å; D481-T486 PolarHBondContact O-N 3.45Å; D481-T486 VanDerWaalsContact O-N 3.15Å; N484-T486 VanDerWaalsContact C-N 3.31Å; N484-T486 HydrophobicContact CB-CG2 4.34Å; N484-T486 PolarHBondContact O-N 3.25Å; T486-R518 HydrophobicContact CG2-CG 4.3Å
487C96.2Very high95.1Very high6 Ų632.7 Ų32.74%0.04117%0.174CC..EExtended strand (participates in β ladder)trans-128.5144.4171.5179.70000109.5E479 V480 C489 N492 C499 L502E479-C487 VanDerWaalsContact O-CA 3.28Å; E479-C487 WeakPolarHBondContact O-CA 3.16Å; V480-C487 HydrophobicContact CG2-CB 4.15Å; C487-C489 PolarHBondContact O-N 2.95Å; C487-C489 PolarHBondContact SG-N 2.83Å; C487-C489 VanDerWaalsContact SG-N 3.42Å; C487-N492 HydrophobicContact CB-CB 3.98Å; C487-N492 PolarHBondContact N-OD1 3.31Å; C487-N492 PolarHBondContact O-OD1 3.19Å; C487-C499 WeakPolarHBondContact CB-SG 3.41Å; C487-C499 VanDerWaalsContact SG-SG 3.69Å; C487-L502 HydrophobicContact CB-CB 4.45Å
488N95.2Very high95.3Very high71 Ų7128.3 Ų28.338%0.3815%0.147SC..SBendtrans-75.92.717673.2-7.5000114Y478 E479 I493Y478-N488 VanDerWaalsContact CA-OD1 3.26Å; Y478-N488 WeakPolarHBondContact CA-OD1 3.43Å; Y478-N488 WeakPolarHBondContact CB-OD1 3.22Å; E479-N488 VanDerWaalsContact N-CG 3.34Å; E479-N488 PolarHBondContact N-ND2 2.89Å; E479-N488 PolarHBondContact N-OD1 3.5Å; E479-N488 PolarHBondContact O-N 3.44Å; N488-I493 VanDerWaalsContact O-CD1 3.25Å; N488-I493 WeakPolarHBondContact O-CD1 3.5Å
489C93.8Very high95.3Very high6 Ų626.2 Ų26.24%0.04114%0.139CC..SBendtrans-71.7148.3176.585.20000111.5Y478 C487 F491 N492 I493 C499Y478-C489 HydrophobicContact CD1-CB 3.38Å; Y478-C489 HydrophobicContact CE1-CB 3.58Å; Y478-C489 HydrophobicContact CG-CB 4.16Å; C487-C489 PolarHBondContact O-N 2.95Å; C487-C489 PolarHBondContact SG-N 2.83Å; C487-C489 VanDerWaalsContact SG-N 3.42Å; C489-F491 PolarHBondContact O-N 2.86Å; C489-F491 VanDerWaalsContact O-N 3.11Å; C489-N492 PolarHBondContact O-N 2.9Å; C489-N492 VanDerWaalsContact O-N 3.14Å; C489-I493 WeakPolarHBondContact O-CG1 3.36Å; C489-I493 PolarHBondContact O-N 2.77Å; C489-I493 VanDerWaalsContact O-N 3.13Å; C489-C499 WeakPolarHBondContact SG-CB 3.47Å; C489-C499 PolarHBondContact SG-SG 3.08Å
490S92Very high95.2Very high44 Ų4421.9 Ų21.931%0.30812%0.119SC..Hα-helixtrans-53.8-36.6-177.7176.50000112.8L349 S494L349-S490 VanDerWaalsContact O-CB 3.32Å; L349-S490 WeakPolarHBondContact O-CB 3.4Å; L349-S490 PolarHBondContact O-OG 2.99Å; S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.22Å; S490-S494 PolarHBondContact O-OG 3.36Å
491F94.3Very high95.2Very high17 Ų1722 Ų228%0.07512%0.119CC..Hα-helixtrans-64.4-49.5179.6-177.2-98.6000112.3M448 R452 C489 S494 S495 L497 P498 C499M448-F491 HydrophobicContact CB-CZ 4.27Å; M448-F491 HydrophobicContact CE-CE2 3.51Å; M448-F491 HydrophobicContact CE-CZ 4Å; R452-F491 HydrophobicContact CG-CD1 4.01Å; R452-F491 HydrophobicContact CG-CE1 3.59Å; R452-F491 HydrophobicContact CG-CE2 4.17Å; R452-F491 HydrophobicContact CG-CG 4.47Å; R452-F491 HydrophobicContact CG-CZ 3.66Å; R452-F491 VanDerWaalsContact CZ-CD2 3.42Å; R452-F491 VanDerWaalsContact NE-CE2 3.29Å; C489-F491 PolarHBondContact O-N 2.86Å; C489-F491 VanDerWaalsContact O-N 3.11Å; F491-S494 PolarHBondContact O-N 3.14Å; F491-S494 PolarHBondContact O-OG 3.29Å; F491-S495 WeakPolarHBondContact O-CB 3.38Å; F491-S495 PolarHBondContact O-N 2.93Å; F491-S495 PolarHBondContact O-OG 3.42Å; F491-L497 HydrophobicContact CE1-CB 3.84Å; F491-L497 HydrophobicContact CZ-CB 4.16Å; F491-L497 HydrophobicContact CZ-CD1 4.48Å; F491-P498 WeakPolarHBondContact CE1-O 3.39Å; F491-C499 HydrophobicContact CB-CB 4.38Å; F491-C499 HydrophobicContact CD1-CB 3.79Å
492N95.1Very high95.1Very high4 Ų419.9 Ų19.92%0.02111%0.108CC..Hα-helixtrans-67.1-41.5-177.9-176.3-105.9000111.5C487 C489 F496 L497 C499C487-N492 HydrophobicContact CB-CB 3.98Å; C487-N492 PolarHBondContact N-OD1 3.31Å; C487-N492 PolarHBondContact O-OD1 3.19Å; C489-N492 PolarHBondContact O-N 2.9Å; C489-N492 VanDerWaalsContact O-N 3.14Å; N492-F496 WeakPolarHBondContact O-CA 3.26Å; N492-F496 PolarHBondContact O-N 3.17Å; N492-L497 PolarHBondContact ND2-O 2.93Å; N492-C499 HydrophobicContact CB-CB 4.21Å
493I94.1Very high95.1Very high49 Ų4918.4 Ų18.425%0.25110%0.103SC..Hα-helixtrans-60.8-52.4175.9-64.2173.7000110.4D350 N488 C489D350-I493 VanDerWaalsContact O-CG2 3.24Å; D350-I493 WeakPolarHBondContact O-CG2 3.35Å; N488-I493 VanDerWaalsContact O-CD1 3.25Å; N488-I493 WeakPolarHBondContact O-CD1 3.5Å; C489-I493 WeakPolarHBondContact O-CG1 3.36Å; C489-I493 PolarHBondContact O-N 2.77Å; C489-I493 VanDerWaalsContact O-N 3.13Å
494S94.3Very high95.2Very high11 Ų1117.7 Ų17.78%0.07710%0.097CC..Hα-helixtrans-75.6-28.9-169.963.10000114.1A351 T353 L354 S490 F491A351-S494 WeakPolarHBondContact O-CB 3.27Å; T353-S494 PolarHBondContact N-O 2.97Å; T353-S494 VanDerWaalsContact N-O 3.09Å; L354-S494 WeakPolarHBondContact CA-O 3.49Å; L354-S494 PolarHBondContact N-O 2.91Å; S490-S494 WeakPolarHBondContact O-CB 3.42Å; S490-S494 PolarHBondContact O-N 3.22Å; S490-S494 PolarHBondContact O-OG 3.36Å; F491-S494 PolarHBondContact O-N 3.14Å; F491-S494 PolarHBondContact O-OG 3.29Å
495S95.3Very high95.2Very high0 Ų014.5 Ų14.50%08%0.08CC..Hα-helixtrans-110-15.8-172.670.80000114.8F491 L497 W522F491-S495 WeakPolarHBondContact O-CB 3.38Å; F491-S495 PolarHBondContact O-N 2.93Å; F491-S495 PolarHBondContact O-OG 3.42Å; S495-L497 PolarHBondContact O-N 3.05Å; S495-L497 WeakPolarHBondContact OG-CB 3.49Å; S495-L497 PolarHBondContact OG-N 3.24Å; S495-W522 PolarHBondContact O-NE1 3.49Å
496F95.6Very high95.1Very high13 Ų1315.9 Ų15.96%0.0579%0.085CC..  trans58.219-167.6-48.3-42.6000114.9E192 I352 L354 N492 R518 S519E192-F496 HydrophobicContact CB-CE2 4.44Å; E192-F496 HydrophobicContact CG-CE2 4.15Å; I352-F496 HydrophobicContact CB-CZ 4.43Å; I352-F496 HydrophobicContact CD1-CE1 3.76Å; I352-F496 HydrophobicContact CD1-CZ 3.56Å; I352-F496 HydrophobicContact CG1-CE1 3.88Å; I352-F496 HydrophobicContact CG1-CZ 3.85Å; I352-F496 HydrophobicContact CG2-CE1 4.37Å; I352-F496 HydrophobicContact CG2-CE2 3.98Å; I352-F496 HydrophobicContact CG2-CZ 3.7Å; L354-F496 HydrophobicContact CD2-CD2 4.33Å; L354-F496 HydrophobicContact CD2-CE2 4.3Å; N492-F496 WeakPolarHBondContact O-CA 3.26Å; N492-F496 PolarHBondContact O-N 3.17Å; F496-R518 HydrophobicContact CB-CB 4.49Å; F496-R518 VanDerWaalsContact CE1-NH2 3.28Å; F496-S519 WeakPolarHBondContact O-CA 3.45Å; F496-S519 WeakPolarHBondContact O-CB 3.42Å; F496-S519 PolarHBondContact O-OG 3.08Å
497L96.4Very high94.8Very high0 Ų019.1 Ų19.10%010%0.1CC..SBendtrans-104155177.5-67.9169.1000111.6L441 A445 M448 V449 F491 N492 S495 C499 W522L441-L497 HydrophobicContact CD1-CD2 4.42Å; L441-L497 HydrophobicContact CD2-CD2 4.19Å; A445-L497 HydrophobicContact CB-CD1 4.06Å; A445-L497 HydrophobicContact CB-CD2 3.88Å; M448-L497 HydrophobicContact CB-CD1 3.88Å; M448-L497 HydrophobicContact CE-CD1 4.42Å; M448-L497 HydrophobicContact SD-CD1 3.93Å; V449-L497 HydrophobicContact CG2-CB 3.93Å; V449-L497 HydrophobicContact CG2-CD1 4.28Å; V449-L497 HydrophobicContact CG2-CD2 4.02Å; V449-L497 HydrophobicContact CG2-CG 4.3Å; F491-L497 HydrophobicContact CE1-CB 3.84Å; F491-L497 HydrophobicContact CZ-CB 4.16Å; F491-L497 HydrophobicContact CZ-CD1 4.48Å; N492-L497 PolarHBondContact ND2-O 2.93Å; S495-L497 PolarHBondContact O-N 3.05Å; S495-L497 WeakPolarHBondContact OG-CB 3.49Å; S495-L497 PolarHBondContact OG-N 3.24Å; L497-C499 PolarHBondContact O-N 3.28Å; L497-W522 HydrophobicContact CD2-CB 4.07Å; L497-W522 HydrophobicContact CD2-CG 3.79Å; L497-W522 HydrophobicContact CG-CG 4.38Å
498P95.9Very high94.6Very high1 Ų122.8 Ų22.81%0.00612%0.122CC..  trans-59122.6173-25.235.5000112.2F491 L502 L503 L515 L516F491-P498 WeakPolarHBondContact CE1-O 3.39Å; P498-L502 HydrophobicContact CB-CD2 4.38Å; P498-L503 HydrophobicContact CB-CD1 4.36Å; P498-L503 HydrophobicContact CB-CD2 3.72Å; P498-L503 HydrophobicContact CB-CG 3.84Å; P498-L515 HydrophobicContact CB-CD1 4.13Å; P498-L515 HydrophobicContact CB-CD2 4.45Å; P498-L515 HydrophobicContact CB-CG 4.27Å; P498-L515 HydrophobicContact CG-CD1 4.17Å; P498-L515 HydrophobicContact CG-CD2 4.21Å; P498-L515 HydrophobicContact CG-CG 3.85Å; P498-L516 HydrophobicContact CG-CD2 3.77Å
499C95.8Very high94.5Very high0 Ų023 Ų230%012%0.12CC..  trans-85.5168.1170.464.30000111.3C487 C489 F491 N492 L497 H501 L502 L503C487-C499 WeakPolarHBondContact CB-SG 3.41Å; C487-C499 VanDerWaalsContact SG-SG 3.69Å; C489-C499 WeakPolarHBondContact SG-CB 3.47Å; C489-C499 PolarHBondContact SG-SG 3.08Å; F491-C499 HydrophobicContact CB-CB 4.38Å; F491-C499 HydrophobicContact CD1-CB 3.79Å; N492-C499 HydrophobicContact CB-CB 4.21Å; L497-C499 PolarHBondContact O-N 3.28Å; C499-H501 PolarHBondContact O-N 2.98Å; C499-L502 PolarHBondContact O-N 3.35Å; C499-L502 PolarHBondContact SG-N 2.93Å; C499-L503 WeakPolarHBondContact O-CB 3.21Å; C499-L503 WeakPolarHBondContact O-CD1 3.03Å; C499-L503 WeakPolarHBondContact O-CG 3.47Å; C499-L503 PolarHBondContact O-N 3.42Å
500E95Very high94.4Very high9 Ų923.7 Ų23.74%0.04213%0.129CC..Hα-helixtrans-50.6-40.7174.151.6-87.6-111.300112.7R452 K455 V456 V459 K504R452-E500 WeakPolarHBondContact CD-OE2 3.37Å; R452-E500 IonicContact NH1-OE1 2.74Å; R452-E500 PolarHBondContact NH1-OE1 3.21Å; R452-E500 IonicContact NH1-OE2 2.88Å; K455-E500 HydrophobicContact CB-CB 4.12Å; K455-E500 HydrophobicContact CB-CG 4.4Å; V456-E500 HydrophobicContact CG2-CB 4.31Å; V459-E500 HydrophobicContact CG2-CB 4.06Å; V459-E500 HydrophobicContact CG2-CG 4.06Å; E500-K504 WeakPolarHBondContact O-CB 3.48Å; E500-K504 PolarHBondContact O-N 2.96Å
501H96.6Very high94.5Very high2 Ų222.9 Ų22.91%0.00912%0.121CC..Hα-helixtrans-65.6-49.1176.8-50.6114.2000113C471 D473 Y478 V480 C499 L503 K504 V505C471-H501 HydrophobicContact CB-CB 4.13Å; D473-H501 VanDerWaalsContact CG-NE2 3.35Å; D473-H501 IonicContact OD2-CE1 2.72Å; D473-H501 PolarHBondContact OD2-CE1 3.42Å; D473-H501 IonicContact OD2-NE2 2.95Å; D473-H501 PolarHBondContact OD2-NE2 3.13Å; Y478-H501 AromaticContact CD2-CD2 3.83Å; Y478-H501 AromaticContact CD2-CE1 3.16Å; Y478-H501 WeakPolarHBondContact CD2-CE1 3.45Å; Y478-H501 AromaticContact CD2-ND1 3.79Å; Y478-H501 AromaticContact CD2-NE2 3.18Å; Y478-H501 WeakPolarHBondContact CD2-NE2 3.46Å; Y478-H501 AromaticContact CE2-CE1 3.26Å; Y478-H501 WeakPolarHBondContact CE2-CE1 3.35Å; Y478-H501 AromaticContact CE2-NE2 3.38Å; Y478-H501 WeakPolarHBondContact CE2-NE2 3.37Å; Y478-H501 AromaticContact CG-CE1 3.58Å; Y478-H501 AromaticContact CG-ND1 3.78Å; Y478-H501 AromaticContact CG-NE2 3.96Å; Y478-H501 AromaticContact CZ-CE1 3.75Å; V480-H501 HydrophobicContact CG2-CB 3.9Å; C499-H501 PolarHBondContact O-N 2.98Å; H501-L503 VanDerWaalsContact C-N 3.32Å; H501-L503 PolarHBondContact O-N 2.9Å; H501-K504 PolarHBondContact O-N 3.47Å; H501-V505 WeakPolarHBondContact O-CG2 3.28Å; H501-V505 PolarHBondContact O-N 3.07Å
502L95.9Very high94.4Very high1 Ų127 Ų271%0.00514%0.14CC..Hα-helixtrans-65.4-39.8-179.1-174.965.4000110.7V480 A485 C487 P498 C499 V505 F506 L511 L515V480-L502 HydrophobicContact CG1-CD1 3.55Å; A485-L502 VanDerWaalsContact O-CD2 3.31Å; A485-L502 WeakPolarHBondContact O-CD2 3.46Å; C487-L502 HydrophobicContact CB-CB 4.45Å; P498-L502 HydrophobicContact CB-CD2 4.38Å; C499-L502 PolarHBondContact O-N 3.35Å; C499-L502 PolarHBondContact SG-N 2.93Å; L502-V505 PolarHBondContact O-N 3.41Å; L502-F506 VanDerWaalsContact O-CB 3.24Å; L502-F506 WeakPolarHBondContact O-CB 3.47Å; L502-F506 PolarHBondContact O-N 3.06Å; L502-L511 HydrophobicContact CD1-CD1 3.82Å; L502-L511 HydrophobicContact CD1-CD2 3.94Å; L502-L511 HydrophobicContact CG-CD1 4.26Å; L502-L515 HydrophobicContact CD2-CD1 3.84Å; L502-L515 HydrophobicContact CG-CD1 3.76Å
503L95.4Very high94.3Very high0 Ų030.2 Ų30.20%015%0.154CC..Hα-helixtrans-62.1-45.1174.9-67.8164.8000111.2F434 V449 R452 L453 V456 P498 C499 H501 F506 M507 L515F434-L503 HydrophobicContact CD1-CD2 4.18Å; F434-L503 HydrophobicContact CE1-CB 4.45Å; F434-L503 HydrophobicContact CE1-CD2 3.52Å; F434-L503 HydrophobicContact CZ-CB 4.46Å; F434-L503 HydrophobicContact CZ-CD2 4.32Å; V449-L503 HydrophobicContact CG1-CD1 4.36Å; R452-L503 HydrophobicContact CB-CD1 4.32Å; L453-L503 HydrophobicContact CD2-CD1 3.82Å; L453-L503 HydrophobicContact CD2-CD2 4.23Å; L453-L503 HydrophobicContact CD2-CG 4.48Å; L453-L503 HydrophobicContact CG-CD1 3.97Å; V456-L503 HydrophobicContact CG2-CB 3.83Å; V456-L503 HydrophobicContact CG2-CD1 4.19Å; P498-L503 HydrophobicContact CB-CD1 4.36Å; P498-L503 HydrophobicContact CB-CD2 3.72Å; P498-L503 HydrophobicContact CB-CG 3.84Å; C499-L503 WeakPolarHBondContact O-CB 3.21Å; C499-L503 WeakPolarHBondContact O-CD1 3.03Å; C499-L503 WeakPolarHBondContact O-CG 3.47Å; C499-L503 PolarHBondContact O-N 3.42Å; H501-L503 VanDerWaalsContact C-N 3.32Å; H501-L503 PolarHBondContact O-N 2.9Å; L503-F506 PolarHBondContact O-N 2.93Å; L503-M507 VanDerWaalsContact O-CG 3.3Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 3.24Å; L503-L515 HydrophobicContact CD2-CD2 3.93Å
504K94.7Very high94.2Very high43 Ų4332.5 Ų32.519%0.18717%0.167CC..Hα-helixtrans-59.2-49.6176.8-171.967.2169-154.60111.8V456 V459 I461 E500 H501 F506 M507 V508V456-K504 HydrophobicContact CG1-CB 4.05Å; V456-K504 HydrophobicContact CG1-CD 3.69Å; V456-K504 HydrophobicContact CG1-CG 4.48Å; V456-K504 WeakPolarHBondContact O-CD 3.3Å; V459-K504 HydrophobicContact CB-CB 4.24Å; V459-K504 HydrophobicContact CB-CG 4.17Å; V459-K504 HydrophobicContact CG1-CB 4.07Å; V459-K504 HydrophobicContact CG1-CG 4.03Å; V459-K504 VanDerWaalsContact O-CE 3.3Å; V459-K504 WeakPolarHBondContact O-CE 3.33Å; I461-K504 HydrophobicContact CD1-CG 3.95Å; I461-K504 HydrophobicContact CG1-CG 4.01Å; E500-K504 WeakPolarHBondContact O-CB 3.48Å; E500-K504 PolarHBondContact O-N 2.96Å; H501-K504 PolarHBondContact O-N 3.47Å; K504-F506 VanDerWaalsContact C-N 3.34Å; K504-F506 PolarHBondContact O-N 3.14Å; K504-M507 WeakPolarHBondContact O-CB 3.48Å; K504-M507 PolarHBondContact O-N 3.46Å; K504-V508 HydrophobicContact CD-CG2 4.44Å; K504-V508 WeakPolarHBondContact O-CG2 3.33Å; K504-V508 PolarHBondContact O-N 3.24Å; K504-V508 VanDerWaalsContact O-N 3.08Å
505V95.4Very high94.2Very high0 Ų032.4 Ų32.40%017%0.165CC..Hα-helixtrans-63.2-42.2179174.10000111.2I461 A469 C471 V480 R482 H501 L502 M507 V508 H509 G510 L511I461-V505 HydrophobicContact CD1-CG2 4.06Å; I461-V505 HydrophobicContact CG1-CG2 4.39Å; A469-V505 HydrophobicContact CB-CG1 3.98Å; A469-V505 HydrophobicContact CB-CG2 3.65Å; C471-V505 WeakPolarHBondContact SG-CG2 3.35Å; V480-V505 HydrophobicContact CB-CG2 4.01Å; V480-V505 HydrophobicContact CG1-CB 3.99Å; V480-V505 HydrophobicContact CG1-CG1 4Å; V480-V505 HydrophobicContact CG1-CG2 4Å; V480-V505 HydrophobicContact CG2-CG2 3.98Å; R482-V505 HydrophobicContact CG-CG1 4.16Å; H501-V505 WeakPolarHBondContact O-CG2 3.28Å; H501-V505 PolarHBondContact O-N 3.07Å; L502-V505 PolarHBondContact O-N 3.41Å; V505-M507 VanDerWaalsContact C-N 3.28Å; V505-M507 PolarHBondContact O-N 3.28Å; V505-V508 PolarHBondContact O-N 3.02Å; V505-H509 PolarHBondContact O-N 3.49Å; V505-G510 PolarHBondContact O-N 2.85Å; V505-G510 VanDerWaalsContact O-N 3.1Å; V505-L511 HydrophobicContact CG1-CD2 4.14Å
506F94.2Very high94.1Very high31 Ų3132.8 Ų32.814%0.13617%0.167CC..Hα-helixtrans-60.7-35.5175.3172.3-106.7000113.3K433 F434 I437 L502 L503 K504 G510 L511 L515K433-F506 HydrophobicContact CD-CE1 3.76Å; K433-F506 HydrophobicContact CD-CZ 4.16Å; K433-F506 HydrophobicContact CG-CE1 4.23Å; K433-F506 VanDerWaalsContact NZ-CE1 3.34Å; K433-F506 VanDerWaalsContact NZ-CZ 3.28Å; F434-F506 HydrophobicContact CE1-CD1 4.48Å; I437-F506 HydrophobicContact CD1-CE1 3.79Å; I437-F506 HydrophobicContact CD1-CZ 4.32Å; L502-F506 VanDerWaalsContact O-CB 3.24Å; L502-F506 WeakPolarHBondContact O-CB 3.47Å; L502-F506 PolarHBondContact O-N 3.06Å; L503-F506 PolarHBondContact O-N 2.93Å; K504-F506 VanDerWaalsContact C-N 3.34Å; K504-F506 PolarHBondContact O-N 3.14Å; F506-G510 WeakPolarHBondContact O-CA 3.23Å; F506-G510 PolarHBondContact O-N 3.38Å; F506-L511 HydrophobicContact CB-CD1 3.95Å; F506-L511 HydrophobicContact CB-CG 4.07Å; F506-L511 HydrophobicContact CD2-CB 4.46Å; F506-L511 HydrophobicContact CD2-CD1 3.94Å; F506-L511 HydrophobicContact CD2-CG 4.02Å; F506-L511 HydrophobicContact CG-CD1 4.34Å; F506-L515 HydrophobicContact CB-CD1 4.13Å; F506-L515 HydrophobicContact CD1-CD2 3.96Å; F506-L515 HydrophobicContact CD2-CB 4.35Å; F506-L515 HydrophobicContact CE1-CD2 4.05Å; F506-L515 HydrophobicContact CE2-CB 4.29Å; F506-L515 HydrophobicContact CG-CD1 4.2Å; F506-L515 HydrophobicContact CG-CD2 4.28Å; F506-L515 HydrophobicContact CZ-CD2 4.45Å
507M90.1Very high94Very high93 Ų9337.2 Ų37.246%0.45818%0.184SC..Hα-helixtrans-70-45.3176.2-72.4175.277.400112.5F434 V456 L503 K504 V505F434-M507 HydrophobicContact CE1-CG 4.45Å; F434-M507 HydrophobicContact CE2-CE 3.9Å; F434-M507 HydrophobicContact CE2-CG 3.87Å; F434-M507 HydrophobicContact CE2-SD 3.42Å; F434-M507 WeakPolarHBondContact CE2-SD 3.46Å; F434-M507 HydrophobicContact CZ-CE 4.4Å; F434-M507 HydrophobicContact CZ-CG 3.42Å; F434-M507 VanDerWaalsContact CZ-CG 3.42Å; F434-M507 HydrophobicContact CZ-SD 3.38Å; F434-M507 WeakPolarHBondContact CZ-SD 3.37Å; V456-M507 HydrophobicContact CG1-SD 3.81Å; L503-M507 VanDerWaalsContact O-CG 3.3Å; L503-M507 WeakPolarHBondContact O-CG 3.37Å; L503-M507 PolarHBondContact O-N 3.24Å; K504-M507 WeakPolarHBondContact O-CB 3.48Å; K504-M507 PolarHBondContact O-N 3.46Å; V505-M507 VanDerWaalsContact C-N 3.28Å; V505-M507 PolarHBondContact O-N 3.28Å
508V91.9Very high93.8Very high83 Ų8342.1 Ų42.150%0.50320%0.203SC..Hα-helixtrans-88.7-41.4-168.5-178.10000112.2I461 K504 V505I461-V508 HydrophobicContact CD1-CB 4.03Å; I461-V508 HydrophobicContact CD1-CG1 4.41Å; I461-V508 HydrophobicContact CD1-CG2 4.17Å; K504-V508 HydrophobicContact CD-CG2 4.44Å; K504-V508 WeakPolarHBondContact O-CG2 3.33Å; K504-V508 PolarHBondContact O-N 3.24Å; K504-V508 VanDerWaalsContact O-N 3.08Å; V505-V508 PolarHBondContact O-N 3.02Å
509H92.3Very high93.7Very high75 Ų7542.1 Ų42.135%0.34720%0.203SC..THydrogen-bonded Turntrans-120.5-11.8-172.9-60.8-61.3000114R482 V505R482-H509 PolarHBondContact NH2-O 3.24Å; V505-H509 PolarHBondContact O-N 3.49Å
510G91.7Very high93.6Very high22 Ų2247.7 Ų47.723%0.22723%0.227CC..  trans69.8173.6-171.800000113.5R482 V505 F506R482-G510 PolarHBondContact NE-O 2.79Å; V505-G510 PolarHBondContact O-N 2.85Å; V505-G510 VanDerWaalsContact O-N 3.1Å; F506-G510 WeakPolarHBondContact O-CA 3.23Å; F506-G510 PolarHBondContact O-N 3.38Å
511L94Very high93.5Very high27 Ų2748 Ų4814%0.14123%0.228CC..  trans-126.6153.5178.8-60172.7000108.9R482 A485 L502 V505 F506 K513 L515R482-L511 HydrophobicContact CB-CD2 4.32Å; R482-L511 HydrophobicContact CG-CD2 4.33Å; A485-L511 HydrophobicContact CB-CD1 3.9Å; L502-L511 HydrophobicContact CD1-CD1 3.82Å; L502-L511 HydrophobicContact CD1-CD2 3.94Å; L502-L511 HydrophobicContact CG-CD1 4.26Å; V505-L511 HydrophobicContact CG1-CD2 4.14Å; F506-L511 HydrophobicContact CB-CD1 3.95Å; F506-L511 HydrophobicContact CB-CG 4.07Å; F506-L511 HydrophobicContact CD2-CB 4.46Å; F506-L511 HydrophobicContact CD2-CD1 3.94Å; F506-L511 HydrophobicContact CD2-CG 4.02Å; F506-L511 HydrophobicContact CG-CD1 4.34Å; L511-K513 WeakPolarHBondContact CB-O 3.37Å; L511-L515 HydrophobicContact CD1-CB 4.37Å; L511-L515 HydrophobicContact CD1-CD1 3.62Å
512H93.2Very high93.4Very high102 Ų10248 Ų4847%0.47223%0.228SC..SBendtrans-83.2-21.1177.7-61.1-62.3000112.8E466 R482 N483E466-H512 PolarHBondContact O-CD2 3.02Å; E466-H512 PolarHBondContact O-NE2 3Å; R482-H512 PolarHBondContact O-N 3.36Å; N483-H512 PolarHBondContact OD1-CD2 3.33Å
513K92Very high93.4Very high72 Ų7249.2 Ų49.231%0.31324%0.235SC..SBendtrans-109.5160.5168.9-81.7-174.2-167.6165.20111.3N483 N484 A485 L511 L515 Y517N483-K513 WeakPolarHBondContact O-CD 3.38Å; N483-K513 VanDerWaalsContact O-CE 3.26Å; N483-K513 WeakPolarHBondContact O-CE 3.48Å; N483-K513 WeakPolarHBondContact O-CG 3.34Å; N484-K513 PolarHBondContact OD1-NZ 3.46Å; A485-K513 HydrophobicContact CB-CB 4.26Å; L511-K513 WeakPolarHBondContact CB-O 3.37Å; K513-L515 PolarHBondContact O-N 2.83Å; K513-Y517 HydrophobicContact CD-CD1 3.95Å; K513-Y517 HydrophobicContact CD-CD2 4.21Å; K513-Y517 HydrophobicContact CD-CE1 4.09Å; K513-Y517 HydrophobicContact CD-CE2 4.32Å; K513-Y517 HydrophobicContact CD-CG 4.04Å
514D92.3Very high93.2Very high98 Ų9852.9 Ų52.952%0.52425%0.252SS..  trans-55.1135.7171.1-173.5-86.7000110.7L516 Y517D514-L516 PolarHBondContact O-N 2.54Å; D514-L516 WeakPolarHBondContact OD1-CA 3.32Å; D514-L516 WeakPolarHBondContact OD1-CB 3.31Å; D514-L516 PolarHBondContact OD1-N 2.98Å; D514-Y517 WeakPolarHBondContact O-CB 3.45Å; D514-Y517 PolarHBondContact O-N 2.98Å
515L94.2Very high93Very high8 Ų854.5 Ų54.54%0.04227%0.267CS..THydrogen-bonded Turntrans-57.5-33-177.9178.868.6000112.5I437 P498 L502 L503 F506 L511 K513I437-L515 HydrophobicContact CD1-CD2 3.49Å; I437-L515 VanDerWaalsContact CD1-CD2 3.49Å; I437-L515 HydrophobicContact CG1-CD2 4.28Å; I437-L515 HydrophobicContact CG2-CD2 4.27Å; P498-L515 HydrophobicContact CB-CD1 4.13Å; P498-L515 HydrophobicContact CB-CD2 4.45Å; P498-L515 HydrophobicContact CB-CG 4.27Å; P498-L515 HydrophobicContact CG-CD1 4.17Å; P498-L515 HydrophobicContact CG-CD2 4.21Å; P498-L515 HydrophobicContact CG-CG 3.85Å; L502-L515 HydrophobicContact CD2-CD1 3.84Å; L502-L515 HydrophobicContact CG-CD1 3.76Å; L503-L515 HydrophobicContact CD2-CD2 3.93Å; F506-L515 HydrophobicContact CB-CD1 4.13Å; F506-L515 HydrophobicContact CD1-CD2 3.96Å; F506-L515 HydrophobicContact CD2-CB 4.35Å; F506-L515 HydrophobicContact CE1-CD2 4.05Å; F506-L515 HydrophobicContact CE2-CB 4.29Å; F506-L515 HydrophobicContact CG-CD1 4.2Å; F506-L515 HydrophobicContact CG-CD2 4.28Å; F506-L515 HydrophobicContact CZ-CD2 4.45Å; L511-L515 HydrophobicContact CD1-CB 4.37Å; L511-L515 HydrophobicContact CD1-CD1 3.62Å; K513-L515 PolarHBondContact O-N 2.83Å
516L94.5Very high92.7Very high8 Ų857.7 Ų57.74%0.04229%0.285CS..THydrogen-bonded Turntrans-95.613.6-178.8-58.5-176.5000112.5I437 K440 L441 P498 D514 R518 S519 L523I437-L516 HydrophobicContact CG2-CD1 4.18Å; I437-L516 HydrophobicContact CG2-CD2 3.96Å; I437-L516 HydrophobicContact CG2-CG 4.29Å; K440-L516 HydrophobicContact CB-CD1 3.99Å; K440-L516 HydrophobicContact CD-CD1 4.19Å; L441-L516 HydrophobicContact CD1-CD2 4.46Å; L441-L516 HydrophobicContact CD2-CD1 4.27Å; L441-L516 HydrophobicContact CD2-CD2 4.17Å; L441-L516 HydrophobicContact CG-CD1 4.43Å; P498-L516 HydrophobicContact CG-CD2 3.77Å; D514-L516 PolarHBondContact O-N 2.54Å; D514-L516 WeakPolarHBondContact OD1-CA 3.32Å; D514-L516 WeakPolarHBondContact OD1-CB 3.31Å; D514-L516 PolarHBondContact OD1-N 2.98Å; L516-R518 VanDerWaalsContact C-N 3.25Å; L516-R518 PolarHBondContact O-N 3.22Å; L516-R518 VanDerWaalsContact O-N 3.16Å; L516-S519 PolarHBondContact O-N 3.11Å; L516-L523 HydrophobicContact CB-CD2 4.25Å; L516-L523 HydrophobicContact CD1-CD2 3.78Å
517Y92.1Very high92.4Very high106 Ų10656.3 Ų56.342%0.41628%0.278SS..THydrogen-bonded Turntrans-52.3-40.3-177.8174.5-102.2000113.4K513 D514K513-Y517 HydrophobicContact CD-CD1 3.95Å; K513-Y517 HydrophobicContact CD-CD2 4.21Å; K513-Y517 HydrophobicContact CD-CE1 4.09Å; K513-Y517 HydrophobicContact CD-CE2 4.32Å; K513-Y517 HydrophobicContact CD-CG 4.04Å; D514-Y517 WeakPolarHBondContact O-CB 3.45Å; D514-Y517 PolarHBondContact O-N 2.98Å
518R92Very high91.8Very high103 Ų10356.1 Ų56.139%0.38928%0.276SS..THydrogen-bonded Turntrans-87.6-13175.5-70.2-165.574.6-1764.3114.2T486 F496 L516 K520T486-R518 HydrophobicContact CG2-CG 4.3Å; F496-R518 HydrophobicContact CB-CB 4.49Å; F496-R518 VanDerWaalsContact CE1-NH2 3.28Å; L516-R518 VanDerWaalsContact C-N 3.25Å; L516-R518 PolarHBondContact O-N 3.22Å; L516-R518 VanDerWaalsContact O-N 3.16Å; R518-K520 PolarHBondContact O-N 3.36Å
519S94.5Very high90.7Very high2 Ų259.1 Ų59.11%0.01429%0.29CS..  trans-87.317.5-174.3-48.50000113.4F496 L516 R521 W522 L523F496-S519 WeakPolarHBondContact O-CA 3.45Å; F496-S519 WeakPolarHBondContact O-CB 3.42Å; F496-S519 PolarHBondContact O-OG 3.08Å; L516-S519 PolarHBondContact O-N 3.11Å; S519-R521 VanDerWaalsContact C-N 3.25Å; S519-R521 PolarHBondContact O-N 3.35Å; S519-R521 VanDerWaalsContact O-N 3.12Å; S519-W522 WeakPolarHBondContact O-CA 3.48Å; S519-W522 WeakPolarHBondContact O-CB 2.99Å; S519-W522 PolarHBondContact O-N 3.16Å; S519-L523 PolarHBondContact O-N 3.04Å
520K93.3Very high89.5Confident116 Ų11656.7 Ų56.750%0.50428%0.279SS..G310 helixtrans-49.8-42.1-175.3-71.6-178.8-177-178.10113.5R518 W522 L523 N526R518-K520 PolarHBondContact O-N 3.36Å; K520-W522 PolarHBondContact O-N 3.11Å; K520-W522 VanDerWaalsContact O-N 3.16Å; K520-L523 PolarHBondContact O-N 3.46Å; K520-N526 WeakPolarHBondContact O-CB 3.25Å; K520-N526 PolarHBondContact O-ND2 2.99Å
521R93.8Very high87.5Confident17 Ų1758.3 Ų58.36%0.06429%0.287CS..G310 helixtrans-61.5-24.5179.881.3-174.6-50.5-82.42.5113.4E192 T215 D216 G217 S519 N527E192-R521 VanDerWaalsContact CD-NE 3.34Å; E192-R521 WeakPolarHBondContact OE1-CD 3.42Å; E192-R521 IonicContact OE1-CZ 2.87Å; E192-R521 IonicContact OE1-NE 2.92Å; E192-R521 PolarHBondContact OE1-NE 2.95Å; E192-R521 IonicContact OE1-NH2 3.57Å; E192-R521 IonicContact OE2-CZ 3.88Å; E192-R521 IonicContact OE2-NE 2.6Å; E192-R521 PolarHBondContact OE2-NE 3.04Å; E192-R521 IonicContact OE2-NH2 2.76Å; E192-R521 PolarHBondContact OE2-NH2 3.01Å; T215-R521 PolarHBondContact O-NH2 3.42Å; D216-R521 PolarHBondContact O-NH1 3.4Å; D216-R521 VanDerWaalsContact O-NH1 3.12Å; G217-R521 WeakPolarHBondContact CA-O 3.44Å; S519-R521 VanDerWaalsContact C-N 3.25Å; S519-R521 PolarHBondContact O-N 3.35Å; S519-R521 VanDerWaalsContact O-N 3.12Å; R521-N527 PolarHBondContact O-ND2 2.89Å
522W95.1Very high84.8Confident0 Ų061.4 Ų61.40%030%0.299CS..G310 helixtrans-97.2-2.8-175.8-54.7122.7000112.8L354 L441 T442 Y444 A445 S495 L497 S519 K520L354-W522 HydrophobicContact CB-CH2 3.94Å; L354-W522 HydrophobicContact CB-CZ2 3.82Å; L354-W522 HydrophobicContact CD2-CZ2 3.91Å; L354-W522 HydrophobicContact CG-CZ2 4.39Å; L441-W522 CarbonylContact C-O 3.56Å; L441-W522 WeakPolarHBondContact CA-O 3.41Å; L441-W522 HydrophobicContact CD2-CB 3.9Å; T442-W522 PolarHBondContact N-O 3.19Å; Y444-W522 HydrophobicContact CD1-CE3 4.25Å; Y444-W522 HydrophobicContact CD1-CH2 4.03Å; Y444-W522 AromaticContact CD1-CZ3 3.61Å; Y444-W522 HydrophobicContact CD1-CZ3 3.61Å; Y444-W522 AromaticContact CE1-CH2 3.68Å; Y444-W522 HydrophobicContact CE1-CH2 3.68Å; Y444-W522 AromaticContact CE1-CZ3 3.77Å; Y444-W522 HydrophobicContact CE1-CZ3 3.77Å; A445-W522 HydrophobicContact CB-CB 3.63Å; A445-W522 HydrophobicContact CB-CD2 4.07Å; A445-W522 HydrophobicContact CB-CE3 4.11Å; A445-W522 HydrophobicContact CB-CG 3.92Å; S495-W522 PolarHBondContact O-NE1 3.49Å; L497-W522 HydrophobicContact CD2-CB 4.07Å; L497-W522 HydrophobicContact CD2-CG 3.79Å; L497-W522 HydrophobicContact CG-CG 4.38Å; S519-W522 WeakPolarHBondContact O-CA 3.48Å; S519-W522 WeakPolarHBondContact O-CB 2.99Å; S519-W522 PolarHBondContact O-N 3.16Å; K520-W522 PolarHBondContact O-N 3.11Å; K520-W522 VanDerWaalsContact O-N 3.16Å
523L94.1Very high81.9Confident28 Ų2861.8 Ų61.815%0.14731%0.311CS..BIsolated β-bridgetrans-76.8136.1179.7-63177000110.6K440 L441 L516 S519 K520 C525 N526 N527K440-L523 HydrophobicContact CB-CD2 4.2Å; K440-L523 CarbonylContact O-C 3.54Å; K440-L523 WeakPolarHBondContact O-CA 3.47Å; L441-L523 HydrophobicContact CD2-CD2 4.25Å; L516-L523 HydrophobicContact CB-CD2 4.25Å; L516-L523 HydrophobicContact CD1-CD2 3.78Å; S519-L523 PolarHBondContact O-N 3.04Å; K520-L523 PolarHBondContact O-N 3.46Å; L523-C525 VanDerWaalsContact C-N 3.27Å; L523-C525 PolarHBondContact O-N 2.96Å; L523-N526 HydrophobicContact CB-CB 4.44Å; L523-N526 PolarHBondContact O-N 3.26Å; L523-N526 VanDerWaalsContact O-N 3.07Å; L523-N527 PolarHBondContact O-N 3.22Å; L523-N527 PolarHBondContact O-ND2 2.98Å
524Q91.6Very high79.1Confident77 Ų7762 Ų6236%0.3632%0.32SS..G310 helixtrans-56.1-43178-65-1750.900112E439 K440 L441 N526 N527 E528E439-Q524 VanDerWaalsContact O-CD 3.24Å; E439-Q524 PolarHBondContact O-NE2 3.36Å; E439-Q524 VanDerWaalsContact O-NE2 3.1Å; E439-Q524 PolarHBondContact O-OE1 3.39Å; K440-Q524 PolarHBondContact O-N 3.03Å; L441-Q524 VanDerWaalsContact O-CG 3.25Å; L441-Q524 WeakPolarHBondContact O-CG 3.33Å; L441-Q524 PolarHBondContact O-NE2 2.93Å; Q524-N526 PolarHBondContact O-N 3.44Å; Q524-N526 VanDerWaalsContact O-N 3.16Å; Q524-N527 CarbonylContact O-C 3.54Å; Q524-N527 WeakPolarHBondContact O-CA 3.45Å; Q524-N527 PolarHBondContact O-N 3.35Å; Q524-E528 WeakPolarHBondContact O-CG 2.96Å; Q524-E528 PolarHBondContact O-N 3.12Å; Q524-E528 VanDerWaalsContact O-N 3.16Å
525C90.6Very high76.1Confident76 Ų7663 Ų6351%0.51432%0.324SS..G310 helixtrans-58.4-30.2179.362.50000113.3L523 N527L523-C525 VanDerWaalsContact C-N 3.27Å; L523-C525 PolarHBondContact O-N 2.96Å; C525-N527 VanDerWaalsContact C-N 3.29Å
526N89.1Confident73Confident68 Ų6865.5 Ų65.536%0.36435%0.351SS..G310 helixtrans-85.1-7.2179.3-694.5000112.5Q189 K520 L523 Q524Q189-N526 PolarHBondContact NE2-O 3.45Å; K520-N526 WeakPolarHBondContact O-CB 3.25Å; K520-N526 PolarHBondContact O-ND2 2.99Å; L523-N526 HydrophobicContact CB-CB 4.44Å; L523-N526 PolarHBondContact O-N 3.26Å; L523-N526 VanDerWaalsContact O-N 3.07Å; Q524-N526 PolarHBondContact O-N 3.44Å; Q524-N526 VanDerWaalsContact O-N 3.16Å
527N88.1Confident69.8Low1 Ų169.4 Ų69.41%0.00538%0.375CS..THydrogen-bonded Turntrans-119.32.2-173.3-74.8-78.3000113.3Y190 G217 F218 T442 R521 L523 Q524 C525 N529 L530 S531Y190-N527 PolarHBondContact OH-OD1 2.99Å; G217-N527 WeakPolarHBondContact CA-OD1 3.39Å; F218-N527 HydrophobicContact CE2-CB 3.61Å; F218-N527 HydrophobicContact CZ-CB 3.72Å; T442-N527 HydrophobicContact CG2-CB 4.22Å; R521-N527 PolarHBondContact O-ND2 2.89Å; L523-N527 PolarHBondContact O-N 3.22Å; L523-N527 PolarHBondContact O-ND2 2.98Å; Q524-N527 CarbonylContact O-C 3.54Å; Q524-N527 WeakPolarHBondContact O-CA 3.45Å; Q524-N527 PolarHBondContact O-N 3.35Å; C525-N527 VanDerWaalsContact C-N 3.29Å; N527-N529 PolarHBondContact O-N 2.95Å; N527-N529 VanDerWaalsContact O-N 3.13Å; N527-L530 WeakPolarHBondContact O-CB 3.39Å; N527-L530 PolarHBondContact O-N 3.43Å; N527-S531 PolarHBondContact O-N 3.37Å; N527-S531 VanDerWaalsContact O-N 3.12Å; N527-S531 PolarHBondContact O-OG 3.37Å
528E77.4Confident66.8Low89 Ų8972.1 Ų72.142%0.41640%0.395SS..Hα-helixtrans-56.9-34.6-174.1-66.5-170.6-161.500114.2Q524 L530 S531 K532Q524-E528 WeakPolarHBondContact O-CG 2.96Å; Q524-E528 PolarHBondContact O-N 3.12Å; Q524-E528 VanDerWaalsContact O-N 3.16Å; E528-L530 PolarHBondContact O-N 3.38Å; E528-S531 PolarHBondContact O-N 3.28Å; E528-K532 WeakPolarHBondContact O-CG 3.3Å; E528-K532 PolarHBondContact O-N 2.96Å; E528-K532 IonicContact OE2-NZ 3.97Å; E528-K532 PolarHBondContact OE2-NZ 3.13Å; E528-K532 VanDerWaalsContact OE2-NZ 3.1Å
529N69.1Low63.8Low147 Ų14770.8 Ų70.879%0.78640%0.399SS*.Hα-helixtrans-70.1-21.9179.2-68.2-22000112.9N527N527-N529 PolarHBondContact O-N 2.95Å; N527-N529 VanDerWaalsContact O-N 3.13Å
530L66.7Low60.6Low23 Ų2378.8 Ų78.812%0.1244%0.436CS..Hα-helixtrans-86.5-41.3174.3-68.8-178.2000111.4V186 Y190 D216 F218 W394 Y396 N527 E528 K532V186-L530 HydrophobicContact CG2-CD2 4.47Å; Y190-L530 HydrophobicContact CE2-CD1 3.61Å; Y190-L530 WeakPolarHBondContact OH-CD1 3.38Å; D216-L530 HydrophobicContact CB-CD1 4.13Å; F218-L530 HydrophobicContact CE2-CB 4.1Å; W394-L530 HydrophobicContact CE3-CD2 4.15Å; W394-L530 HydrophobicContact CZ3-CD2 4.03Å; Y396-L530 VanDerWaalsContact CD2-O 3.27Å; Y396-L530 WeakPolarHBondContact CD2-O 3.5Å; Y396-L530 HydrophobicContact CE2-CB 4.13Å; Y396-L530 WeakPolarHBondContact CE2-O 3.36Å; Y396-L530 WeakPolarHBondContact OH-CB 3.5Å; N527-L530 WeakPolarHBondContact O-CB 3.39Å; N527-L530 PolarHBondContact O-N 3.43Å; E528-L530 PolarHBondContact O-N 3.38Å; L530-K532 VanDerWaalsContact C-N 3.32Å; L530-K532 PolarHBondContact O-N 3.29Å
531S50.3Low57.4Low56 Ų5678.9 Ų78.939%0.39245%0.451SS..Hα-helixtrans-68.2-29.5-176.2-45.60000113.9F218 N527 E528F218-S531 WeakPolarHBondContact CE2-OG 3.35Å; F218-S531 WeakPolarHBondContact CZ-OG 3.48Å; N527-S531 PolarHBondContact O-N 3.37Å; N527-S531 VanDerWaalsContact O-N 3.12Å; N527-S531 PolarHBondContact O-OG 3.37Å; E528-S531 PolarHBondContact O-N 3.28Å
532K38Very low54.2Low92 Ų9282.6 Ų82.640%0.448%0.476SS..SBendtrans-82.4124.1177.7-67.5169.3-171.4162.20107E528 L530 P534 I535E528-K532 WeakPolarHBondContact O-CG 3.3Å; E528-K532 PolarHBondContact O-N 2.96Å; E528-K532 IonicContact OE2-NZ 3.97Å; E528-K532 PolarHBondContact OE2-NZ 3.13Å; E528-K532 VanDerWaalsContact OE2-NZ 3.1Å; L530-K532 VanDerWaalsContact C-N 3.32Å; L530-K532 PolarHBondContact O-N 3.29Å; K532-P534 VanDerWaalsContact O-N 3.09Å; K532-I535 HydrophobicContact CD-CD1 4.15Å
533P32.3Very low51.1Low110 Ų11088.7 Ų88.771%0.71451%0.508SS*.PPolyproline II helixtrans-51.2127.5155.424.2-30.3000104.7I535P533-I535 PolarHBondContact O-N 3.41Å
534P31.4Very low48.1Very low77 Ų7793.5 Ų93.550%0.553%0.53SS..PPolyproline II helixtrans-52.1116.3-164.917.2-29.9000107.1K393 K532 G536K393-P534 HydrophobicContact CD-CG 4.23Å; K532-P534 VanDerWaalsContact O-N 3.09Å; P534-G536 PolarHBondContact O-N 2.98Å
535I30.2Very low45.5Very low119 Ų11995 Ų9561%0.6155%0.549SS*.PPolyproline II helixtrans-47.4118.5167.9-69.3170.6000103.1K532 P533 V537K532-I535 HydrophobicContact CD-CD1 4.15Å; P533-I535 PolarHBondContact O-N 3.41Å; I535-V537 PolarHBondContact O-N 3.29Å
536G29.1Very low43.1Very low60 Ų6095.1 Ų95.162%0.61954%0.543SS*.SBendtrans-46.1117.3-177.800000107.8P534P534-G536 PolarHBondContact O-N 2.98Å
537V28.3Very low40.5Very low90 Ų9094.5 Ų94.555%0.54555%0.548SS..  trans48.985.5151.7-1770000112.6I535 V539I535-V537 PolarHBondContact O-N 3.29Å; V537-V539 HydrophobicContact CG1-CB 3.39Å; V537-V539 HydrophobicContact CG1-CG2 3.27Å; V537-V539 PolarHBondContact O-N 3.44Å
538I27.2Very low38.1Very low163 Ų16399.7 Ų99.784%0.83658%0.583SS**  trans-77.768145.1-54.1179.8000106.2
539V30.1Very low36.4Very low76 Ų76100.8 Ų100.846%0.46159%0.591SS.*  trans-73.4124.6146.1162.70000103.9V537 S541 T542V537-V539 HydrophobicContact CG1-CB 3.39Å; V537-V539 HydrophobicContact CG1-CG2 3.27Å; V537-V539 PolarHBondContact O-N 3.44Å; V539-S541 PolarHBondContact O-N 2.94Å; V539-T542 WeakPolarHBondContact CG1-OG1 3.45Å
540Q26.5Very low35.3Very low170 Ų17097.7 Ų97.779%0.79458%0.575SS**THydrogen-bonded Turntrans-29.8110.1157.7-72.9167.6-41.400109.8T542Q540-T542 PolarHBondContact O-N 3.49Å
541S26.7Very low34.5Very low118 Ų118103.9 Ų103.983%0.82560%0.598SS**THydrogen-bonded Turntrans2669.1157.660.60000116V539V539-S541 PolarHBondContact O-N 2.94Å
542T27.3Very low34.9Very low95 Ų95108.2 Ų108.258%0.58361%0.61SS**  trans-144.296.9157.344.40000109.8V539 Q540 Q544V539-T542 WeakPolarHBondContact CG1-OG1 3.45Å; Q540-T542 PolarHBondContact O-N 3.49Å; T542-Q544 PolarHBondContact O-N 3.49Å
543N28.3Very low36.3Very low127 Ų127107.9 Ų107.968%0.67961%0.612SS**  trans-14.289.3162.3-66.3-26.1000116.2I546N543-I546 HydrophobicContact CB-CB 4.33Å; N543-I546 HydrophobicContact CB-CD1 3.66Å; N543-I546 HydrophobicContact CB-CG1 3.97Å
544Q31.9Very low38Very low130 Ų130106.4 Ų106.461%0.60760%0.601SS**SBendtrans-100.33171.5-85.7179.6-10.600114.3T542 I546T542-Q544 PolarHBondContact O-N 3.49Å; Q544-I546 VanDerWaalsContact C-N 3.28Å
545S37.1Very low39.6Very low108 Ų108105.8 Ų105.876%0.75560%0.596SS**SBendtrans-84.9-3.1161.583.10000113.1
546I39.6Very low41.7Very low78 Ų78103.5 Ų103.540%0.459%0.588SS.*SBendtrans-91-32173.2-60.9-177.7000110.3N543 Q544 C548 L549 D550N543-I546 HydrophobicContact CB-CB 4.33Å; N543-I546 HydrophobicContact CB-CD1 3.66Å; N543-I546 HydrophobicContact CB-CG1 3.97Å; Q544-I546 VanDerWaalsContact C-N 3.28Å; I546-C548 PolarHBondContact O-N 3.22Å; I546-L549 CarbonylContact O-C 3.59Å; I546-L549 PolarHBondContact O-N 3.21Å; I546-L549 VanDerWaalsContact O-N 3.16Å; I546-D550 VanDerWaalsContact O-CB 3.32Å; I546-D550 WeakPolarHBondContact O-CB 3.35Å; I546-D550 PolarHBondContact O-N 3.09Å
547A35.9Very low43.9Very low56 Ų56104.3 Ų104.346%0.46358%0.578SS.*Hα-helixtrans-65.5-30.7-173.800000115.6Y551A547-Y551 PolarHBondContact O-N 3.2Å; A547-Y551 VanDerWaalsContact O-N 3.07Å
548C36.4Very low45.9Very low110 Ų110103 Ų10374%0.74357%0.57SS**Hα-helixtrans-81.6-25.4177.1-158.80000112.4I546I546-C548 PolarHBondContact O-N 3.22Å
549L42.3Very low48.2Very low112 Ų11299 Ų9959%0.58655%0.549SS*.Hα-helixtrans-81.1-34.3170.9-154.373.6000111I546 K552 N553I546-L549 CarbonylContact O-C 3.59Å; I546-L549 PolarHBondContact O-N 3.21Å; I546-L549 VanDerWaalsContact O-N 3.16Å; L549-K552 PolarHBondContact O-N 3.09Å; L549-N553 WeakPolarHBondContact O-CB 3.47Å; L549-N553 VanDerWaalsContact O-CG 3.24Å; L549-N553 PolarHBondContact O-N 2.71Å; L549-N553 PolarHBondContact O-ND2 3.42Å
550D46.4Very low50.4Low82 Ų82100.6 Ų100.644%0.43955%0.552SS.*Hα-helixtrans-68.4-36.2175.7-104.1-10.4000112.1I546 K552 T554I546-D550 VanDerWaalsContact O-CB 3.32Å; I546-D550 WeakPolarHBondContact O-CB 3.35Å; I546-D550 PolarHBondContact O-N 3.09Å; D550-K552 VanDerWaalsContact C-N 3.34Å; D550-T554 WeakPolarHBondContact O-CA 3.5Å; D550-T554 WeakPolarHBondContact O-CB 3.18Å; D550-T554 PolarHBondContact O-N 3.14Å; D550-T554 PolarHBondContact O-OG1 2.87Å
551Y50.3Low52.9Low152 Ų15298.7 Ų98.760%0.59654%0.541SS*.Hα-helixtrans-65.9-41.7175.8-155.1-93000111A547 V555A547-Y551 PolarHBondContact O-N 3.2Å; A547-Y551 VanDerWaalsContact O-N 3.07Å; Y551-V555 HydrophobicContact CD1-CG2 3.86Å; Y551-V555 HydrophobicContact CE1-CG2 3.77Å; Y551-V555 VanDerWaalsContact O-CB 3.27Å; Y551-V555 WeakPolarHBondContact O-CB 3.42Å; Y551-V555 WeakPolarHBondContact O-CG2 3.42Å; Y551-V555 PolarHBondContact O-N 2.72Å
552K58.3Low55Low148 Ų14895.5 Ų95.564%0.64351%0.514SS*.Hα-helixtrans-67.1-46.4177.4-164.8175.6-179.4-179.70111.3L549 D550 V555 T556L549-K552 PolarHBondContact O-N 3.09Å; D550-K552 VanDerWaalsContact C-N 3.34Å; K552-V555 PolarHBondContact O-N 2.88Å; K552-T556 WeakPolarHBondContact O-CB 3.29Å; K552-T556 PolarHBondContact O-N 3.02Å; K552-T556 PolarHBondContact O-OG1 3.18Å
553N67.5Low57.4Low85 Ų8597.1 Ų97.146%0.45551%0.513SS..Hα-helixtrans-63.9-44.4176.4-70.8-17.5000111.4L549 V555 T556 D557L549-N553 WeakPolarHBondContact O-CB 3.47Å; L549-N553 VanDerWaalsContact O-CG 3.24Å; L549-N553 PolarHBondContact O-N 2.71Å; L549-N553 PolarHBondContact O-ND2 3.42Å; N553-V555 PolarHBondContact O-N 2.94Å; N553-T556 PolarHBondContact O-N 3.02Å; N553-D557 WeakPolarHBondContact O-CB 3.26Å; N553-D557 PolarHBondContact O-N 3.3Å
554T66.6Low59.9Low79 Ų7997.5 Ų97.549%0.48551%0.509SS..Hα-helixtrans-64.6-39.6177.9-58.40000111.5D550 T558D550-T554 WeakPolarHBondContact O-CA 3.5Å; D550-T554 WeakPolarHBondContact O-CB 3.18Å; D550-T554 PolarHBondContact O-N 3.14Å; D550-T554 PolarHBondContact O-OG1 2.87Å; T554-T558 WeakPolarHBondContact O-CB 3.31Å; T554-T558 PolarHBondContact O-N 2.77Å; T554-T558 PolarHBondContact O-OG1 2.96Å
555V66.7Low62.1Low63 Ų6394.4 Ų94.438%0.38249%0.494SS..Hα-helixtrans-64.6-45173.1168.40000110.4Y551 K552 N553 T558 I559Y551-V555 HydrophobicContact CD1-CG2 3.86Å; Y551-V555 HydrophobicContact CE1-CG2 3.77Å; Y551-V555 VanDerWaalsContact O-CB 3.27Å; Y551-V555 WeakPolarHBondContact O-CB 3.42Å; Y551-V555 WeakPolarHBondContact O-CG2 3.42Å; Y551-V555 PolarHBondContact O-N 2.72Å; K552-V555 PolarHBondContact O-N 2.88Å; N553-V555 PolarHBondContact O-N 2.94Å; V555-T558 PolarHBondContact O-N 2.97Å; V555-I559 HydrophobicContact CG1-CD1 3.77Å; V555-I559 HydrophobicContact CG1-CG1 4.47Å; V555-I559 WeakPolarHBondContact O-CB 3.47Å; V555-I559 WeakPolarHBondContact O-CD1 3.47Å; V555-I559 WeakPolarHBondContact O-CG1 3.45Å; V555-I559 PolarHBondContact O-N 2.85Å
556T72.9Confident64Low72 Ų7295.2 Ų95.244%0.44249%0.485SS..Hα-helixtrans-62.9-43.7176.3-57.40000112.1K552 N553 T558 I559 E560K552-T556 WeakPolarHBondContact O-CB 3.29Å; K552-T556 PolarHBondContact O-N 3.02Å; K552-T556 PolarHBondContact O-OG1 3.18Å; N553-T556 PolarHBondContact O-N 3.02Å; T556-T558 VanDerWaalsContact C-N 3.35Å; T556-T558 PolarHBondContact O-N 3.02Å; T556-I559 WeakPolarHBondContact O-CB 3.42Å; T556-I559 PolarHBondContact O-N 2.87Å; T556-E560 PolarHBondContact O-N 3.22Å
557D75.3Confident65.7Low77 Ų7797 Ų9741%0.41250%0.5SS..Hα-helixtrans-67.5-36.4179.4-149.452.3000111.2N553 E560 K561N553-D557 WeakPolarHBondContact O-CB 3.26Å; N553-D557 PolarHBondContact O-N 3.3Å; D557-E560 PolarHBondContact O-N 2.99Å; D557-K561 WeakPolarHBondContact O-CB 3.47Å; D557-K561 VanDerWaalsContact O-CG 3.28Å; D557-K561 WeakPolarHBondContact O-CG 3.35Å; D557-K561 PolarHBondContact O-N 3.23Å; D557-K561 WeakPolarHBondContact OD2-CE 3.08Å; D557-K561 IonicContact OD2-NZ 2.72Å; D557-K561 PolarHBondContact OD2-NZ 2.95Å
558T71.3Confident67.8Low61 Ų61101.3 Ų101.337%0.37451%0.51SS..Hα-helixtrans-67.1-42.4172.1-58.30000111T554 V555 T556 E560 K561 L562T554-T558 WeakPolarHBondContact O-CB 3.31Å; T554-T558 PolarHBondContact O-N 2.77Å; T554-T558 PolarHBondContact O-OG1 2.96Å; V555-T558 PolarHBondContact O-N 2.97Å; T556-T558 VanDerWaalsContact C-N 3.35Å; T556-T558 PolarHBondContact O-N 3.02Å; T558-E560 VanDerWaalsContact C-N 3.35Å; T558-E560 PolarHBondContact O-N 3.24Å; T558-K561 PolarHBondContact O-N 3.34Å; T558-L562 HydrophobicContact CG2-CD1 4.12Å; T558-L562 HydrophobicContact CG2-CG 4.48Å; T558-L562 WeakPolarHBondContact O-CB 3.29Å; T558-L562 VanDerWaalsContact O-CG 3.26Å; T558-L562 WeakPolarHBondContact O-CG 3.4Å; T558-L562 PolarHBondContact O-N 3.47Å
559I73.9Confident70Confident80 Ų80100.5 Ų100.541%0.4150%0.496SS..Hα-helixtrans-62.1-42.2174.9-71.3165.2000110.7V555 T556 L562 K563V555-I559 HydrophobicContact CG1-CD1 3.77Å; V555-I559 HydrophobicContact CG1-CG1 4.47Å; V555-I559 WeakPolarHBondContact O-CB 3.47Å; V555-I559 WeakPolarHBondContact O-CD1 3.47Å; V555-I559 WeakPolarHBondContact O-CG1 3.45Å; V555-I559 PolarHBondContact O-N 2.85Å; T556-I559 WeakPolarHBondContact O-CB 3.42Å; T556-I559 PolarHBondContact O-N 2.87Å; I559-L562 PolarHBondContact O-N 3.49Å; I559-K563 HydrophobicContact CG2-CD 4.43Å; I559-K563 WeakPolarHBondContact O-CG 3.48Å; I559-K563 PolarHBondContact O-N 2.82Å
560E77.9Confident71.9Confident110 Ų11098.6 Ų98.651%0.51449%0.492SS..Hα-helixtrans-66.1-41.3176.3-75.9-158.2168.100112.8T556 D557 T558 L562 K563 K564T556-E560 PolarHBondContact O-N 3.22Å; D557-E560 PolarHBondContact O-N 2.99Å; T558-E560 VanDerWaalsContact C-N 3.35Å; T558-E560 PolarHBondContact O-N 3.24Å; E560-L562 VanDerWaalsContact C-N 3.32Å; E560-L562 PolarHBondContact O-N 3.1Å; E560-K563 PolarHBondContact O-N 3.01Å; E560-K564 PolarHBondContact O-N 2.77Å
561K79Confident73.3Confident129 Ų129102.1 Ų102.156%0.56151%0.505SS*.Hα-helixtrans-62.7-39.5173.9-74.3168.2-169.6158.20111.6D557 T558 K564 F565D557-K561 WeakPolarHBondContact O-CB 3.47Å; D557-K561 VanDerWaalsContact O-CG 3.28Å; D557-K561 WeakPolarHBondContact O-CG 3.35Å; D557-K561 PolarHBondContact O-N 3.23Å; D557-K561 WeakPolarHBondContact OD2-CE 3.08Å; D557-K561 IonicContact OD2-NZ 2.72Å; D557-K561 PolarHBondContact OD2-NZ 2.95Å; T558-K561 PolarHBondContact O-N 3.34Å; K561-K564 PolarHBondContact O-N 3.1Å; K561-F565 VanDerWaalsContact O-CB 3.29Å; K561-F565 WeakPolarHBondContact O-CB 3.11Å; K561-F565 PolarHBondContact O-N 2.98Å
562L70.9Confident74.7Confident52 Ų52102.5 Ų102.527%0.27251%0.513SS..Hα-helixtrans-65.7-39.3174.8-74170.3000112.2T558 I559 E560 F565 Q566 V577 I581T558-L562 HydrophobicContact CG2-CD1 4.12Å; T558-L562 HydrophobicContact CG2-CG 4.48Å; T558-L562 WeakPolarHBondContact O-CB 3.29Å; T558-L562 VanDerWaalsContact O-CG 3.26Å; T558-L562 WeakPolarHBondContact O-CG 3.4Å; T558-L562 PolarHBondContact O-N 3.47Å; I559-L562 PolarHBondContact O-N 3.49Å; E560-L562 VanDerWaalsContact C-N 3.32Å; E560-L562 PolarHBondContact O-N 3.1Å; L562-F565 PolarHBondContact O-N 2.96Å; L562-Q566 WeakPolarHBondContact O-CB 3.18Å; L562-Q566 PolarHBondContact O-N 3.35Å; L562-V577 HydrophobicContact CD2-CG1 4.32Å; L562-I581 HydrophobicContact CD1-CD1 3.99Å; L562-I581 HydrophobicContact CD2-CD1 3.59Å; L562-I581 HydrophobicContact CG-CD1 4.35Å
563K77Confident75.7Confident128 Ų12898.2 Ų98.256%0.55750%0.499SS*.Hα-helixtrans-62.9-44.7173.4-74.9176.4178.9-1800111.9I559 E560 Q566 T567I559-K563 HydrophobicContact CG2-CD 4.43Å; I559-K563 WeakPolarHBondContact O-CG 3.48Å; I559-K563 PolarHBondContact O-N 2.82Å; E560-K563 PolarHBondContact O-N 3.01Å; K563-Q566 WeakPolarHBondContact O-CB 3.44Å; K563-Q566 PolarHBondContact O-N 3.49Å; K563-T567 PolarHBondContact O-N 3.1Å
564K80.4Confident76.2Confident136 Ų13695 Ų9559%0.59148%0.483SS*.Hα-helixtrans-63.4-42.9174.3-76.8-177.8179.7173.80111.8E560 K561 Q566 T567 Q568E560-K564 PolarHBondContact O-N 2.77Å; K561-K564 PolarHBondContact O-N 3.1Å; K564-Q566 VanDerWaalsContact C-N 3.3Å; K564-Q566 PolarHBondContact O-N 3.24Å; K564-T567 PolarHBondContact O-N 2.87Å; K564-T567 VanDerWaalsContact O-N 3.08Å; K564-T567 PolarHBondContact O-OG1 3.3Å; K564-Q568 WeakPolarHBondContact O-CG 3.41Å; K564-Q568 PolarHBondContact O-N 3.38Å
565F77.7Confident76.6Confident65 Ų6595.9 Ų95.929%0.28548%0.484SS..Hα-helixtrans-59-41.3175.6-172.9-98.2000111.8K561 L562 T567 Q568 Q569 V573 V574 V577K561-F565 VanDerWaalsContact O-CB 3.29Å; K561-F565 WeakPolarHBondContact O-CB 3.11Å; K561-F565 PolarHBondContact O-N 2.98Å; L562-F565 PolarHBondContact O-N 2.96Å; F565-T567 VanDerWaalsContact C-N 3.27Å; F565-T567 PolarHBondContact O-N 3.34Å; F565-Q568 PolarHBondContact O-N 3.03Å; F565-Q568 VanDerWaalsContact O-N 3.15Å; F565-Q569 HydrophobicContact CD1-CG 4.34Å; F565-Q569 HydrophobicContact CD2-CG 3.91Å; F565-Q569 HydrophobicContact CE1-CB 4.26Å; F565-Q569 HydrophobicContact CE1-CG 4.07Å; F565-Q569 HydrophobicContact CE2-CG 3.62Å; F565-Q569 HydrophobicContact CG-CG 4.28Å; F565-Q569 HydrophobicContact CZ-CB 4.32Å; F565-Q569 HydrophobicContact CZ-CG 3.71Å; F565-Q569 WeakPolarHBondContact O-CB 3.29Å; F565-Q569 PolarHBondContact O-N 2.98Å; F565-Q569 VanDerWaalsContact O-N 3.15Å; F565-V573 HydrophobicContact CE1-CG1 4.11Å; F565-V573 HydrophobicContact CZ-CG1 3.78Å; F565-V574 HydrophobicContact CD1-CG2 4.24Å; F565-V574 HydrophobicContact CE1-CG2 4.34Å; F565-V577 HydrophobicContact CE1-CB 4.17Å; F565-V577 HydrophobicContact CE1-CG1 4.46Å; F565-V577 HydrophobicContact CE1-CG2 3.82Å; F565-V577 HydrophobicContact CZ-CG2 3.92Å
566Q77Confident77.3Confident125 Ų12599.8 Ų99.858%0.58450%0.496SS*.Hα-helixtrans-60.5-34.2174.9-174.91789.800112.9L562 K563 K564 V574L562-Q566 WeakPolarHBondContact O-CB 3.18Å; L562-Q566 PolarHBondContact O-N 3.35Å; K563-Q566 WeakPolarHBondContact O-CB 3.44Å; K563-Q566 PolarHBondContact O-N 3.49Å; K564-Q566 VanDerWaalsContact C-N 3.3Å; K564-Q566 PolarHBondContact O-N 3.24Å; Q566-V574 HydrophobicContact CB-CG1 4.27Å; Q566-V574 HydrophobicContact CB-CG2 4.43Å; Q566-V574 HydrophobicContact CG-CG1 4.18Å; Q566-V574 HydrophobicContact CG-CG2 4.48Å
567T77.2Confident77.5Confident115 Ų11598.2 Ų98.271%0.70649%0.486SS*.Hα-helixtrans-79.6-13.1177.857.80000114.6K563 K564 F565K563-T567 PolarHBondContact O-N 3.1Å; K564-T567 PolarHBondContact O-N 2.87Å; K564-T567 VanDerWaalsContact O-N 3.08Å; K564-T567 PolarHBondContact O-OG1 3.3Å; F565-T567 VanDerWaalsContact C-N 3.27Å; F565-T567 PolarHBondContact O-N 3.34Å
568Q80.1Confident77.5Confident146 Ų14697.8 Ų97.868%0.68249%0.486SS*.Hα-helixtrans-114.6-8.4-172.3-70-179.8-15.300114.2K564 F565K564-Q568 WeakPolarHBondContact O-CG 3.41Å; K564-Q568 PolarHBondContact O-N 3.38Å; F565-Q568 PolarHBondContact O-N 3.03Å; F565-Q568 VanDerWaalsContact O-N 3.15Å
569Q81.9Confident77.8Confident94 Ų94103.6 Ų103.644%0.43950%0.501SS..SBendtrans-125.3159.2-174.5-65.7-66.9-2400111.2F565 V573 V574F565-Q569 HydrophobicContact CD1-CG 4.34Å; F565-Q569 HydrophobicContact CD2-CG 3.91Å; F565-Q569 HydrophobicContact CE1-CB 4.26Å; F565-Q569 HydrophobicContact CE1-CG 4.07Å; F565-Q569 HydrophobicContact CE2-CG 3.62Å; F565-Q569 HydrophobicContact CG-CG 4.28Å; F565-Q569 HydrophobicContact CZ-CB 4.32Å; F565-Q569 HydrophobicContact CZ-CG 3.71Å; F565-Q569 WeakPolarHBondContact O-CB 3.29Å; F565-Q569 PolarHBondContact O-N 2.98Å; F565-Q569 VanDerWaalsContact O-N 3.15Å; Q569-V573 HydrophobicContact CB-CB 4.4Å; Q569-V573 HydrophobicContact CB-CG1 4.5Å; Q569-V574 HydrophobicContact CB-CG2 4.2Å
570S81.4Confident78Confident71 Ų71105.4 Ų105.450%0.49751%0.507SS..  trans-67.6147.7174.2680000111Q572 V573 V574S570-Q572 PolarHBondContact O-N 2.72Å; S570-V573 PolarHBondContact O-N 3.06Å; S570-V573 WeakPolarHBondContact OG-CG2 3.23Å; S570-V574 PolarHBondContact O-N 3.47Å
571E77Confident77.9Confident156 Ų156102.8 Ų102.873%0.72950%0.497SS*.Hα-helixtrans-52-35.5-176.5-169.3177.6-178.100113.1V573 V574 L575E571-V573 PolarHBondContact O-N 3.47Å; E571-V574 PolarHBondContact O-N 2.92Å; E571-L575 HydrophobicContact CG-CD1 4.31Å; E571-L575 PolarHBondContact O-N 2.77Å
572Q79.8Confident77.6Confident160 Ų16099.4 Ų99.475%0.74849%0.487SS*.Hα-helixtrans-64.2-38.9177.3-70.9-173.7-9.200113.4S570 K576S570-Q572 PolarHBondContact O-N 2.72Å; Q572-K576 PolarHBondContact O-N 3.41Å
573V78.7Confident77.8Confident58 Ų58101.8 Ų101.835%0.35250%0.5SS..Hα-helixtrans-71.3-40.8179.2178.20000109.7F565 Q569 S570 E571 L575 K576 V577F565-V573 HydrophobicContact CE1-CG1 4.11Å; F565-V573 HydrophobicContact CZ-CG1 3.78Å; Q569-V573 HydrophobicContact CB-CB 4.4Å; Q569-V573 HydrophobicContact CB-CG1 4.5Å; S570-V573 PolarHBondContact O-N 3.06Å; S570-V573 WeakPolarHBondContact OG-CG2 3.23Å; E571-V573 PolarHBondContact O-N 3.47Å; V573-L575 PolarHBondContact O-N 3.49Å; V573-K576 PolarHBondContact O-N 2.85Å; V573-V577 WeakPolarHBondContact O-CG2 3.38Å; V573-V577 PolarHBondContact O-N 2.8Å
574V77.3Confident77.3Confident19 Ų19101.5 Ų101.512%0.11550%0.503CS..Hα-helixtrans-58.9-48.7176.1-178.90000110.7F565 Q566 Q569 S570 E571 K576 V577 V578F565-V574 HydrophobicContact CD1-CG2 4.24Å; F565-V574 HydrophobicContact CE1-CG2 4.34Å; Q566-V574 HydrophobicContact CB-CG1 4.27Å; Q566-V574 HydrophobicContact CB-CG2 4.43Å; Q566-V574 HydrophobicContact CG-CG1 4.18Å; Q566-V574 HydrophobicContact CG-CG2 4.48Å; Q569-V574 HydrophobicContact CB-CG2 4.2Å; S570-V574 PolarHBondContact O-N 3.47Å; E571-V574 PolarHBondContact O-N 2.92Å; V574-K576 VanDerWaalsContact C-N 3.3Å; V574-K576 PolarHBondContact O-N 2.81Å; V574-V577 PolarHBondContact O-N 2.97Å; V574-V578 HydrophobicContact CG1-CG2 4.32Å; V574-V578 WeakPolarHBondContact O-CG2 3.08Å; V574-V578 PolarHBondContact O-N 3.42Å
575L76.1Confident76.5Confident97 Ų9799 Ų9951%0.50850%0.496SS..Hα-helixtrans-59.6-38.1178-81.2163.4000113E571 V573 R579E571-L575 HydrophobicContact CG-CD1 4.31Å; E571-L575 PolarHBondContact O-N 2.77Å; V573-L575 PolarHBondContact O-N 3.49Å; L575-R579 PolarHBondContact O-N 2.77Å; L575-R579 VanDerWaalsContact O-N 3.1Å
576K80.2Confident75.8Confident145 Ų145102 Ų10263%0.6351%0.511SS*.Hα-helixtrans-67.9-42178.4-165.7177.8-178.2-1790111.7Q572 V573 V574 R579 Q580Q572-K576 PolarHBondContact O-N 3.41Å; V573-K576 PolarHBondContact O-N 2.85Å; V574-K576 VanDerWaalsContact C-N 3.3Å; V574-K576 PolarHBondContact O-N 2.81Å; K576-R579 PolarHBondContact O-N 2.77Å; K576-Q580 PolarHBondContact O-N 2.78Å; K576-Q580 VanDerWaalsContact O-N 3.17Å
577V77.5Confident75Confident39 Ų39100.5 Ų100.524%0.23651%0.514CS..Hα-helixtrans-68-43.1177.9172.90000111.1L562 F565 V573 V574 R579 Q580 I581L562-V577 HydrophobicContact CD2-CG1 4.32Å; F565-V577 HydrophobicContact CE1-CB 4.17Å; F565-V577 HydrophobicContact CE1-CG1 4.46Å; F565-V577 HydrophobicContact CE1-CG2 3.82Å; F565-V577 HydrophobicContact CZ-CG2 3.92Å; V573-V577 WeakPolarHBondContact O-CG2 3.38Å; V573-V577 PolarHBondContact O-N 2.8Å; V574-V577 PolarHBondContact O-N 2.97Å; V577-R579 VanDerWaalsContact C-N 3.34Å; V577-R579 PolarHBondContact O-N 2.65Å; V577-Q580 PolarHBondContact O-N 2.89Å; V577-Q580 VanDerWaalsContact O-N 3.16Å; V577-I581 HydrophobicContact CG1-CD1 3.84Å; V577-I581 HydrophobicContact CG1-CG1 4.45Å; V577-I581 WeakPolarHBondContact O-CG1 3.4Å; V577-I581 PolarHBondContact O-N 2.83Å
578V76.2Confident73.7Confident68 Ų6899.9 Ų99.941%0.41251%0.51SS..Hα-helixtrans-58.2-46.2175.81710000110.8V574 Q580 I581 T582V574-V578 HydrophobicContact CG1-CG2 4.32Å; V574-V578 WeakPolarHBondContact O-CG2 3.08Å; V574-V578 PolarHBondContact O-N 3.42Å; V578-Q580 VanDerWaalsContact C-N 3.33Å; V578-Q580 PolarHBondContact O-N 2.86Å; V578-I581 PolarHBondContact O-N 2.98Å; V578-T582 PolarHBondContact O-N 3.2Å; V578-T582 PolarHBondContact O-OG1 2.91Å; V578-T582 VanDerWaalsContact O-OG1 3.07Å
579R77.2Confident72.1Confident183 Ų18398.1 Ų98.169%0.69151%0.505SS*.Hα-helixtrans-58.5-42175.6-81.9-178178.6162.51113.1L575 K576 V577 I581 T582 N583L575-R579 PolarHBondContact O-N 2.77Å; L575-R579 VanDerWaalsContact O-N 3.1Å; K576-R579 PolarHBondContact O-N 2.77Å; V577-R579 VanDerWaalsContact C-N 3.34Å; V577-R579 PolarHBondContact O-N 2.65Å; R579-I581 VanDerWaalsContact C-N 3.34Å; R579-T582 PolarHBondContact O-N 3.47Å; R579-N583 WeakPolarHBondContact O-CB 3.28Å; R579-N583 PolarHBondContact O-N 2.78Å; R579-N583 PolarHBondContact O-OD1 3.37Å
580Q78.7Confident70.1Confident117 Ų11799.1 Ų99.155%0.54752%0.52SS..Hα-helixtrans-64.8-40177.7-75.2-177.9-23.900111.9K576 V577 V578 N583 L584K576-Q580 PolarHBondContact O-N 2.78Å; K576-Q580 VanDerWaalsContact O-N 3.17Å; V577-Q580 PolarHBondContact O-N 2.89Å; V577-Q580 VanDerWaalsContact O-N 3.16Å; V578-Q580 VanDerWaalsContact C-N 3.33Å; V578-Q580 PolarHBondContact O-N 2.86Å; Q580-N583 PolarHBondContact O-N 3.35Å; Q580-L584 PolarHBondContact O-N 3.02Å
581I74.3Confident67.9Low56 Ų56103.9 Ų103.929%0.28754%0.539SS..Hα-helixtrans-67.9-43.1177.4-66.9171.5000110.9L562 V577 V578 R579 L584 L585L562-I581 HydrophobicContact CD1-CD1 3.99Å; L562-I581 HydrophobicContact CD2-CD1 3.59Å; L562-I581 HydrophobicContact CG-CD1 4.35Å; V577-I581 HydrophobicContact CG1-CD1 3.84Å; V577-I581 HydrophobicContact CG1-CG1 4.45Å; V577-I581 WeakPolarHBondContact O-CG1 3.4Å; V577-I581 PolarHBondContact O-N 2.83Å; V578-I581 PolarHBondContact O-N 2.98Å; R579-I581 VanDerWaalsContact C-N 3.34Å; I581-L584 WeakPolarHBondContact O-CB 3.25Å; I581-L584 PolarHBondContact O-N 3.12Å; I581-L585 HydrophobicContact CG2-CD1 3.84Å; I581-L585 HydrophobicContact CG2-CG 4.31Å; I581-L585 WeakPolarHBondContact O-CG 3.43Å; I581-L585 PolarHBondContact O-N 3Å
582T73.5Confident65.8Low57 Ų57101.5 Ų101.535%0.3554%0.54SS..Hα-helixtrans-58.8-48.1174.9-59.20000110.9V578 R579 L584 L585 E586V578-T582 PolarHBondContact O-N 3.2Å; V578-T582 PolarHBondContact O-OG1 2.91Å; V578-T582 VanDerWaalsContact O-OG1 3.07Å; R579-T582 PolarHBondContact O-N 3.47Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 2.77Å; T582-L585 PolarHBondContact O-N 3.18Å; T582-L585 VanDerWaalsContact O-N 3.17Å; T582-E586 HydrophobicContact CG2-CG 4.27Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.43Å; T582-E586 WeakPolarHBondContact O-CB 3.11Å; T582-E586 WeakPolarHBondContact O-CG 3.37Å; T582-E586 PolarHBondContact O-N 3.2Å
583N74.2Confident63.6Low102 Ų10299.3 Ų99.355%0.54554%0.542SS..Hα-helixtrans-59.6-38.6176.4-70.1-4.7000112R579 Q580 S587R579-N583 WeakPolarHBondContact O-CB 3.28Å; R579-N583 PolarHBondContact O-N 2.78Å; R579-N583 PolarHBondContact O-OD1 3.37Å; Q580-N583 PolarHBondContact O-N 3.35Å; N583-S587 WeakPolarHBondContact O-CB 3.21Å; N583-S587 PolarHBondContact O-N 2.87Å; N583-S587 PolarHBondContact O-OG 2.77Å
584L68Low61.3Low122 Ų122108.1 Ų108.164%0.63959%0.586SS**Hα-helixtrans-66.7-44.4177.1-132.1106.7000111.2Q580 I581 T582 S587 V588Q580-L584 PolarHBondContact O-N 3.02Å; I581-L584 WeakPolarHBondContact O-CB 3.25Å; I581-L584 PolarHBondContact O-N 3.12Å; T582-L584 VanDerWaalsContact C-N 3.26Å; T582-L584 PolarHBondContact O-N 2.77Å; L584-S587 PolarHBondContact O-N 3.04Å; L584-S587 PolarHBondContact O-OG 2.87Å; L584-V588 VanDerWaalsContact O-CG2 3.31Å; L584-V588 WeakPolarHBondContact O-CG2 3.17Å; L584-V588 PolarHBondContact O-N 2.99Å
585L62.6Low60.5Low85 Ų85112.6 Ų112.645%0.44561%0.61SS.*Hα-helixtrans-65.8-41.8178.8-72.3170.1000111.9I581 T582 S587 V588 L589I581-L585 HydrophobicContact CG2-CD1 3.84Å; I581-L585 HydrophobicContact CG2-CG 4.31Å; I581-L585 WeakPolarHBondContact O-CG 3.43Å; I581-L585 PolarHBondContact O-N 3Å; T582-L585 PolarHBondContact O-N 3.18Å; T582-L585 VanDerWaalsContact O-N 3.17Å; L585-S587 VanDerWaalsContact C-N 3.26Å; L585-S587 PolarHBondContact O-N 3.29Å; L585-V588 PolarHBondContact O-N 3.47Å; L585-L589 WeakPolarHBondContact O-CB 3.47Å; L585-L589 PolarHBondContact O-N 2.99Å
586E62.5Low59.7Low127 Ų127113.4 Ų113.459%0.59362%0.615SS**Hα-helixtrans-64.9-29.6174.4-72.9176.2178.100112.1T582 V588T582-E586 HydrophobicContact CG2-CG 4.27Å; T582-E586 WeakPolarHBondContact CG2-OE1 3.43Å; T582-E586 WeakPolarHBondContact O-CB 3.11Å; T582-E586 WeakPolarHBondContact O-CG 3.37Å; T582-E586 PolarHBondContact O-N 3.2Å; E586-V588 VanDerWaalsContact C-N 3.34Å
587S60.6Low58.5Low93 Ų93111.7 Ų111.765%0.6562%0.615SS**Hα-helixtrans-76-20175.775.60000114.2N583 L584 L585N583-S587 WeakPolarHBondContact O-CB 3.21Å; N583-S587 PolarHBondContact O-N 2.87Å; N583-S587 PolarHBondContact O-OG 2.77Å; L584-S587 PolarHBondContact O-N 3.04Å; L584-S587 PolarHBondContact O-OG 2.87Å; L585-S587 VanDerWaalsContact C-N 3.26Å; L585-S587 PolarHBondContact O-N 3.29Å
588V50.6Low57.4Low102 Ų102115.9 Ų115.962%0.61864%0.637SS**Hα-helixtrans-104.7-23.6-175.5-179.80000112L584 L585 E586L584-V588 VanDerWaalsContact O-CG2 3.31Å; L584-V588 WeakPolarHBondContact O-CG2 3.17Å; L584-V588 PolarHBondContact O-N 2.99Å; L585-V588 PolarHBondContact O-N 3.47Å; E586-V588 VanDerWaalsContact C-N 3.34Å
589L46.2Very low56.3Low110 Ų110118.9 Ų118.958%0.57665%0.651SS**SBendtrans-97.2112.2176-68.8167.9000110L585 N591L585-L589 WeakPolarHBondContact O-CB 3.47Å; L585-L589 PolarHBondContact O-N 2.99Å; L589-N591 PolarHBondContact O-N 2.88Å
590P38.6Very low54.9Low115 Ų115114.7 Ų114.775%0.74765%0.648SS**  trans-67.4120.7178.327.2-30.8000108.8S592P590-S592 VanDerWaalsContact C-N 3.32Å; P590-S592 PolarHBondContact O-N 2.74Å
591N36.3Very low53.2Low170 Ų170114.5 Ų114.591%0.90966%0.655SS**  trans-2383.5174.6-72.4-28.1000114.4L589L589-N591 PolarHBondContact O-N 2.88Å
592S33.7Very low51.5Low107 Ų107119 Ų11975%0.74868%0.684SS**  trans-94.1109.3157.154.40000105.4P590P590-S592 VanDerWaalsContact C-N 3.32Å; P590-S592 PolarHBondContact O-N 2.74Å
593S33.7Very low49.7Very low113 Ų113124.2 Ų124.279%0.7971%0.712SS**  trans-33.4136.3172.744.90000114
594L29.7Very low47.5Very low244 Ų244126.2 Ų126.2100%1.27773%0.727SS**  trans-17.80150.6-87.2141.9000115.2

Retrieved 594 of 594 residues in 944.4 ms (Link to these results)

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