A0A060WG22_ONCMY Loading...

Conserved oligomeric Golgi complex subunit 7

AlphaFold DB , UniProt , Accession A0A060WG22, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110491641, Length 768 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
1M54.1Low63.7Low118 Ų118111.3 Ų111.358%0.58157%0.57SS**  01370-87.1178.1178.700105.8F3 W16 L38M1-F3 HydrophobicContact CB-CD1 4.05Å; M1-F3 HydrophobicContact CB-CD2 4.3Å; M1-F3 HydrophobicContact CB-CE1 3.51Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CG 4.42Å; M1-F3 HydrophobicContact CB-CZ 3.39Å; M1-F3 HydrophobicContact CG-CE1 4.33Å; M1-F3 HydrophobicContact CG-CZ 4.36Å; M1-F3 WeakPolarHBondContact O-CD2 3.46Å; M1-F3 WeakPolarHBondContact O-CE2 3.5Å; M1-F3 HydrophobicContact SD-CE1 3.78Å; M1-F3 HydrophobicContact SD-CZ 4.19Å; M1-W16 HydrophobicContact CE-CH2 3.9Å; M1-W16 HydrophobicContact CE-CZ2 3.54Å; M1-W16 HydrophobicContact SD-CH2 4.23Å; M1-W16 HydrophobicContact SD-CZ2 3.58Å; M1-W16 VanDerWaalsContact SD-CZ2 3.58Å; M1-L38 HydrophobicContact CE-CD1 3.48Å; M1-L38 VanDerWaalsContact CE-CD1 3.48Å; M1-L38 HydrophobicContact CE-CD2 3.81Å; M1-L38 HydrophobicContact CE-CG 3.59Å
2D52.4Low64.5Low123 Ų123108.5 Ų108.566%0.65856%0.557SS**  trans-86.1106.8174.8-164.2-18.1000107.1S4D2-S4 PolarHBondContact OD1-OG 3.42Å
3F58.4Low65.3Low72 Ų72106.9 Ų106.932%0.31656%0.555SS.*G310 helixtrans-93.10-165.2-62.1-79.5000113.7M1 K5 F6M1-F3 HydrophobicContact CB-CD1 4.05Å; M1-F3 HydrophobicContact CB-CD2 4.3Å; M1-F3 HydrophobicContact CB-CE1 3.51Å; M1-F3 HydrophobicContact CB-CE2 3.8Å; M1-F3 HydrophobicContact CB-CG 4.42Å; M1-F3 HydrophobicContact CB-CZ 3.39Å; M1-F3 HydrophobicContact CG-CE1 4.33Å; M1-F3 HydrophobicContact CG-CZ 4.36Å; M1-F3 WeakPolarHBondContact O-CD2 3.46Å; M1-F3 WeakPolarHBondContact O-CE2 3.5Å; M1-F3 HydrophobicContact SD-CE1 3.78Å; M1-F3 HydrophobicContact SD-CZ 4.19Å; F3-K5 PolarHBondContact O-N 2.8Å; F3-K5 VanDerWaalsContact O-N 3.16Å; F3-F6 HydrophobicContact CB-CD2 4.24Å; F3-F6 AromaticContact CD1-CD2 3.81Å; F3-F6 HydrophobicContact CD1-CD2 3.81Å; F3-F6 AromaticContact CD1-CE2 3.6Å; F3-F6 HydrophobicContact CD1-CE2 3.6Å; F3-F6 HydrophobicContact CE1-CE2 4.21Å; F3-F6 PolarHBondContact O-N 3.34Å; F3-F6 VanDerWaalsContact O-N 3.09Å
4S61.5Low65.8Low70 Ų70110.4 Ų110.449%0.4956%0.564SS.*G310 helixtrans-52.7-29.7168.649.50000112.5D2 F6 L7D2-S4 PolarHBondContact OD1-OG 3.42Å; S4-F6 VanDerWaalsContact C-N 3.31Å; S4-F6 PolarHBondContact O-N 2.7Å; S4-L7 PolarHBondContact O-N 2.91Å
5K60.5Low66.2Low128 Ų128110.3 Ų110.356%0.55757%0.565SS**G310 helixtrans-65.7-24.5177.5-64.9-168175.4-168.90114.9F3 L7 D8 F11F3-K5 PolarHBondContact O-N 2.8Å; F3-K5 VanDerWaalsContact O-N 3.16Å; K5-L7 VanDerWaalsContact C-N 3.29Å; K5-D8 WeakPolarHBondContact O-CB 3.4Å; K5-F11 HydrophobicContact CB-CD2 4.38Å; K5-F11 HydrophobicContact CB-CE2 4.42Å; K5-F11 WeakPolarHBondContact O-CB 3.44Å; K5-F11 WeakPolarHBondContact O-CD2 3.23Å; K5-F11 WeakPolarHBondContact O-CG 3.48Å
6F65.3Low66.8Low75 Ų75106.3 Ų106.333%0.32954%0.541SS..G310 helixtrans-78.2-16.3177.2-72.7-80.1000113.3F3 S4 F11 W16 L42F3-F6 HydrophobicContact CB-CD2 4.24Å; F3-F6 AromaticContact CD1-CD2 3.81Å; F3-F6 HydrophobicContact CD1-CD2 3.81Å; F3-F6 AromaticContact CD1-CE2 3.6Å; F3-F6 HydrophobicContact CD1-CE2 3.6Å; F3-F6 HydrophobicContact CE1-CE2 4.21Å; F3-F6 PolarHBondContact O-N 3.34Å; F3-F6 VanDerWaalsContact O-N 3.09Å; S4-F6 VanDerWaalsContact C-N 3.31Å; S4-F6 PolarHBondContact O-N 2.7Å; F6-F11 HydrophobicContact CD1-CD1 4.19Å; F6-F11 AromaticContact CD1-CE1 3.47Å; F6-F11 HydrophobicContact CD1-CE1 3.47Å; F6-F11 VanDerWaalsContact CD1-CE1 3.47Å; F6-F11 HydrophobicContact CD1-CE2 4.14Å; F6-F11 AromaticContact CD1-CZ 3.45Å; F6-F11 HydrophobicContact CD1-CZ 3.45Å; F6-F11 VanDerWaalsContact CD1-CZ 3.45Å; F6-F11 AromaticContact CE1-CE1 3.61Å; F6-F11 HydrophobicContact CE1-CE1 3.61Å; F6-F11 HydrophobicContact CE1-CE2 4.25Å; F6-F11 AromaticContact CE1-CZ 3.33Å; F6-F11 HydrophobicContact CE1-CZ 3.33Å; F6-F11 HydrophobicContact CG-CZ 4.27Å; F6-F11 HydrophobicContact CZ-CZ 4.06Å; F6-W16 HydrophobicContact CE1-CZ2 4.47Å; F6-W16 AromaticContact CE2-CZ2 3.91Å; F6-W16 HydrophobicContact CE2-CZ2 3.91Å; F6-W16 HydrophobicContact CZ-CD2 4.07Å; F6-W16 AromaticContact CZ-CE2 3.57Å; F6-W16 HydrophobicContact CZ-CE3 4.35Å; F6-W16 AromaticContact CZ-CH2 3.75Å; F6-W16 HydrophobicContact CZ-CH2 3.75Å; F6-W16 AromaticContact CZ-CZ2 3.4Å; F6-W16 HydrophobicContact CZ-CZ2 3.4Å; F6-W16 HydrophobicContact CZ-CZ3 4.21Å; F6-L42 HydrophobicContact CZ-CD2 4.26Å
7L64.9Low67.2Low156 Ų156103.2 Ų103.282%0.81753%0.528SS*.G310 helixtrans-951.5177.6-66.6164000111.7S4 K5S4-L7 PolarHBondContact O-N 2.91Å; K5-L7 VanDerWaalsContact C-N 3.29Å
8D70.3Confident67.5Low105 Ų105102.4 Ų102.456%0.56153%0.525SS*.SBendtrans-84.3131.2-179.6-145.6-13.4000109.5K5 D10 F11K5-D8 WeakPolarHBondContact O-CB 3.4Å; D8-D10 PolarHBondContact O-N 3.18Å; D8-D10 VanDerWaalsContact O-N 3.16Å; D8-F11 WeakPolarHBondContact O-CB 3.47Å; D8-F11 PolarHBondContact O-N 3.45Å; D8-F11 VanDerWaalsContact O-N 3.14Å
9D69.2Low67.7Low167 Ų16798.7 Ų98.789%0.89352%0.515SS*.THydrogen-bonded Turntrans-64.9-22.2-172.1-74.9-32.2000112.7
10D67.9Low67.8Low154 Ų15494.8 Ų94.882%0.82450%0.498SS*.THydrogen-bonded Turntrans-100.121.5178.7-71.2-38.7000113.5D8 D12D8-D10 PolarHBondContact O-N 3.18Å; D8-D10 VanDerWaalsContact O-N 3.16Å; D10-D12 PolarHBondContact O-N 3.12Å; D10-D12 VanDerWaalsContact O-N 3.13Å
11F76.1Confident67.9Low56 Ų5693.5 Ų93.525%0.24649%0.488CS..  trans-66.5110.7-176.5-179.6-106.8000113.7K5 F6 D8 V13 W16K5-F11 HydrophobicContact CB-CD2 4.38Å; K5-F11 HydrophobicContact CB-CE2 4.42Å; K5-F11 WeakPolarHBondContact O-CB 3.44Å; K5-F11 WeakPolarHBondContact O-CD2 3.23Å; K5-F11 WeakPolarHBondContact O-CG 3.48Å; F6-F11 HydrophobicContact CD1-CD1 4.19Å; F6-F11 AromaticContact CD1-CE1 3.47Å; F6-F11 HydrophobicContact CD1-CE1 3.47Å; F6-F11 VanDerWaalsContact CD1-CE1 3.47Å; F6-F11 HydrophobicContact CD1-CE2 4.14Å; F6-F11 AromaticContact CD1-CZ 3.45Å; F6-F11 HydrophobicContact CD1-CZ 3.45Å; F6-F11 VanDerWaalsContact CD1-CZ 3.45Å; F6-F11 AromaticContact CE1-CE1 3.61Å; F6-F11 HydrophobicContact CE1-CE1 3.61Å; F6-F11 HydrophobicContact CE1-CE2 4.25Å; F6-F11 AromaticContact CE1-CZ 3.33Å; F6-F11 HydrophobicContact CE1-CZ 3.33Å; F6-F11 HydrophobicContact CG-CZ 4.27Å; F6-F11 HydrophobicContact CZ-CZ 4.06Å; D8-F11 WeakPolarHBondContact O-CB 3.47Å; D8-F11 PolarHBondContact O-N 3.45Å; D8-F11 VanDerWaalsContact O-N 3.14Å; F11-V13 HydrophobicContact CD1-CG2 4.15Å; F11-V13 HydrophobicContact CE1-CB 4.47Å; F11-V13 HydrophobicContact CE1-CG2 3.87Å; F11-W16 HydrophobicContact CE2-CB 3.64Å; F11-W16 AromaticContact CE2-CD1 3.68Å; F11-W16 HydrophobicContact CE2-CD2 4.49Å; F11-W16 AromaticContact CE2-CG 3.66Å; F11-W16 HydrophobicContact CE2-CG 3.66Å; F11-W16 HydrophobicContact CZ-CB 3.57Å; F11-W16 AromaticContact CZ-CD1 3.95Å; F11-W16 HydrophobicContact CZ-CD2 4.01Å; F11-W16 AromaticContact CZ-CG 3.56Å; F11-W16 HydrophobicContact CZ-CG 3.56Å
12D73.9Confident68.4Low78 Ų7895.7 Ų95.742%0.41749%0.494SS..  trans-91.2109171.6-171-13000112D10 K14 D15 W16D10-D12 PolarHBondContact O-N 3.12Å; D10-D12 VanDerWaalsContact O-N 3.13Å; D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 3.38Å; D12-K14 WeakPolarHBondContact OD1-CB 3.32Å; D12-K14 PolarHBondContact OD1-N 2.89Å; D12-D15 HydrophobicContact CB-CB 4.14Å; D12-D15 PolarHBondContact O-N 3.37Å; D12-W16 WeakPolarHBondContact O-CB 3.38Å; D12-W16 PolarHBondContact O-N 3.17Å
13V74.5Confident68.7Low88 Ų8898 Ų9853%0.53350%0.503SS..Hα-helixtrans-55.4-40.1175.8-176.40000111.7F11 V17F11-V13 HydrophobicContact CD1-CG2 4.15Å; F11-V13 HydrophobicContact CE1-CB 4.47Å; F11-V13 HydrophobicContact CE1-CG2 3.87Å; V13-V17 HydrophobicContact CG1-CG2 4.29Å; V13-V17 WeakPolarHBondContact O-CB 3.43Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.18Å; V13-V17 PolarHBondContact O-N 2.85Å
14K72.8Confident68.8Low155 Ų15599.7 Ų99.767%0.67451%0.512SS*.Hα-helixtrans-67.9-46.3-178.2-74.5-179.2179.3173.20110.8D12 W16 V17 N18D12-K14 VanDerWaalsContact C-N 3.27Å; D12-K14 PolarHBondContact O-N 3.38Å; D12-K14 WeakPolarHBondContact OD1-CB 3.32Å; D12-K14 PolarHBondContact OD1-N 2.89Å; K14-W16 VanDerWaalsContact C-N 3.31Å; K14-W16 PolarHBondContact O-N 3.32Å; K14-V17 PolarHBondContact O-N 3Å; K14-N18 WeakPolarHBondContact O-CB 3.45Å; K14-N18 PolarHBondContact O-N 3.48Å; K14-N18 PolarHBondContact O-ND2 2.86Å
15D71.6Confident68.3Low109 Ų109105.5 Ų105.558%0.58353%0.529SS*.Hα-helixtrans-66.2-36.7178.7-83.2-10.9000111.9D12 G19D12-D15 HydrophobicContact CB-CB 4.14Å; D12-D15 PolarHBondContact O-N 3.37Å; D15-G19 PolarHBondContact O-N 3.13Å
16W76.1Confident68Low47 Ų47106.5 Ų106.518%0.17854%0.54CS..Hα-helixtrans-66-47.6174.4-178.587.9000112.6M1 F6 F11 D12 K14 G19 A20 L38 L42M1-W16 HydrophobicContact CE-CH2 3.9Å; M1-W16 HydrophobicContact CE-CZ2 3.54Å; M1-W16 HydrophobicContact SD-CH2 4.23Å; M1-W16 HydrophobicContact SD-CZ2 3.58Å; M1-W16 VanDerWaalsContact SD-CZ2 3.58Å; F6-W16 HydrophobicContact CE1-CZ2 4.47Å; F6-W16 AromaticContact CE2-CZ2 3.91Å; F6-W16 HydrophobicContact CE2-CZ2 3.91Å; F6-W16 HydrophobicContact CZ-CD2 4.07Å; F6-W16 AromaticContact CZ-CE2 3.57Å; F6-W16 HydrophobicContact CZ-CE3 4.35Å; F6-W16 AromaticContact CZ-CH2 3.75Å; F6-W16 HydrophobicContact CZ-CH2 3.75Å; F6-W16 AromaticContact CZ-CZ2 3.4Å; F6-W16 HydrophobicContact CZ-CZ2 3.4Å; F6-W16 HydrophobicContact CZ-CZ3 4.21Å; F11-W16 HydrophobicContact CE2-CB 3.64Å; F11-W16 AromaticContact CE2-CD1 3.68Å; F11-W16 HydrophobicContact CE2-CD2 4.49Å; F11-W16 AromaticContact CE2-CG 3.66Å; F11-W16 HydrophobicContact CE2-CG 3.66Å; F11-W16 HydrophobicContact CZ-CB 3.57Å; F11-W16 AromaticContact CZ-CD1 3.95Å; F11-W16 HydrophobicContact CZ-CD2 4.01Å; F11-W16 AromaticContact CZ-CG 3.56Å; F11-W16 HydrophobicContact CZ-CG 3.56Å; D12-W16 WeakPolarHBondContact O-CB 3.38Å; D12-W16 PolarHBondContact O-N 3.17Å; K14-W16 VanDerWaalsContact C-N 3.31Å; K14-W16 PolarHBondContact O-N 3.32Å; W16-G19 PolarHBondContact O-N 3.1Å; W16-A20 WeakPolarHBondContact O-CB 3.42Å; W16-A20 PolarHBondContact O-N 3.44Å; W16-L38 HydrophobicContact CH2-CD2 3.46Å; W16-L38 VanDerWaalsContact CH2-CD2 3.46Å; W16-L38 HydrophobicContact CH2-CG 4.46Å; W16-L38 HydrophobicContact CZ2-CD2 4.39Å; W16-L38 HydrophobicContact CZ3-CD2 3.84Å; W16-L42 HydrophobicContact CH2-CD1 4.35Å
17V72.6Confident67.4Low54 Ų54108.2 Ų108.233%0.32756%0.556SS.*Hα-helixtrans-60.8-49.9175.5170.70000109.6V13 K14 G19 A20 F21V13-V17 HydrophobicContact CG1-CG2 4.29Å; V13-V17 WeakPolarHBondContact O-CB 3.43Å; V13-V17 VanDerWaalsContact O-CG2 3.24Å; V13-V17 WeakPolarHBondContact O-CG2 3.18Å; V13-V17 PolarHBondContact O-N 2.85Å; K14-V17 PolarHBondContact O-N 3Å; V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 3.47Å; V17-A20 PolarHBondContact O-N 2.9Å; V17-A20 VanDerWaalsContact O-N 3.13Å; V17-F21 HydrophobicContact CG1-CD2 3.8Å; V17-F21 HydrophobicContact CG1-CE2 3.97Å; V17-F21 VanDerWaalsContact O-CD2 3.31Å; V17-F21 WeakPolarHBondContact O-CD2 3.39Å; V17-F21 PolarHBondContact O-N 3.33Å
18N73.8Confident66.9Low88 Ų88107.1 Ų107.147%0.47156%0.559SS.*Hα-helixtrans-60.1-37.4178.9-71.8-29.9000111.9K14 K22K14-N18 WeakPolarHBondContact O-CB 3.45Å; K14-N18 PolarHBondContact O-N 3.48Å; K14-N18 PolarHBondContact O-ND2 2.86Å; N18-K22 WeakPolarHBondContact O-CB 3.31Å; N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.24Å; N18-K22 PolarHBondContact O-N 2.86Å
19G71.4Confident66.4Low32 Ų32105.8 Ų105.833%0.3357%0.569SS.*Hα-helixtrans-66.4-43.3174.100000113D15 W16 V17 F21 K22D15-G19 PolarHBondContact O-N 3.13Å; W16-G19 PolarHBondContact O-N 3.1Å; V17-G19 VanDerWaalsContact C-N 3.26Å; V17-G19 PolarHBondContact O-N 3.47Å; G19-F21 VanDerWaalsContact C-N 3.33Å; G19-F21 PolarHBondContact O-N 2.91Å; G19-K22 PolarHBondContact O-N 2.82Å
20A69.8Low66.1Low21 Ų21104.4 Ų104.417%0.17456%0.556CS.*Hα-helixtrans-63.8-3717700000112.1W16 V17W16-A20 WeakPolarHBondContact O-CB 3.42Å; W16-A20 PolarHBondContact O-N 3.44Å; V17-A20 PolarHBondContact O-N 2.9Å; V17-A20 VanDerWaalsContact O-N 3.13Å
21F69Low66Low68 Ų6899.3 Ų99.330%0.29854%0.535SS..Hα-helixtrans-83.8-26.4175.9-78-85.8000114V17 G19 M23 Q24 A31 A35V17-F21 HydrophobicContact CG1-CD2 3.8Å; V17-F21 HydrophobicContact CG1-CE2 3.97Å; V17-F21 VanDerWaalsContact O-CD2 3.31Å; V17-F21 WeakPolarHBondContact O-CD2 3.39Å; V17-F21 PolarHBondContact O-N 3.33Å; G19-F21 VanDerWaalsContact C-N 3.33Å; G19-F21 PolarHBondContact O-N 2.91Å; F21-M23 PolarHBondContact O-N 3.4Å; F21-Q24 PolarHBondContact O-N 3.35Å; F21-A31 HydrophobicContact CD1-CB 4.49Å; F21-A31 HydrophobicContact CE1-CB 4.22Å; F21-A35 HydrophobicContact CE1-CB 4.36Å; F21-A35 HydrophobicContact CZ-CB 3.75Å
22K64.9Low65.7Low163 Ų163103.2 Ų103.271%0.70956%0.558SS**Hα-helixtrans-62.3-21.5175.4-97.6176.4175.7172.50113.8N18 G19 Q24N18-K22 WeakPolarHBondContact O-CB 3.31Å; N18-K22 VanDerWaalsContact O-CG 3.31Å; N18-K22 WeakPolarHBondContact O-CG 3.24Å; N18-K22 PolarHBondContact O-N 2.86Å; G19-K22 PolarHBondContact O-N 2.82Å; K22-Q24 PolarHBondContact O-N 3.38Å
23M59.4Low65.6Low171 Ų171102.5 Ų102.584%0.84256%0.563SS**THydrogen-bonded Turntrans-72.4-8.1178.4-70-76.5134.700113.6F21F21-M23 PolarHBondContact O-N 3.4Å
24Q60.1Low65.5Low109 Ų109101.3 Ų101.351%0.50955%0.552SS.*  trans-111.1102.2168.1-84-170.9-14.800110.5F21 K22F21-Q24 PolarHBondContact O-N 3.35Å; K22-Q24 PolarHBondContact O-N 3.38Å
25K50.9Low65.5Low192 Ų19295.3 Ų95.384%0.83553%0.531SS*.  trans-88.2127.8163.7-79.6-176.3173.9-179.50110
26D54.1Low65.8Low149 Ų14993 Ų9380%0.79753%0.527SS*.SBendtrans6871.7156.3-56.1-34.6000120.2
27V51.7Low65.9Low110 Ų11093.9 Ų93.967%0.66754%0.538SS*.  trans-152.6120.7134.3-173.60000109.2G29V27-G29 PolarHBondContact O-N 2.82Å
28P54.1Low66.1Low134 Ų13492.1 Ų92.187%0.8753%0.526SS*.THydrogen-bonded Turntrans-68.6120.3173.917.7-16.1000110.6
29G60.8Low66.5Low76 Ų7691.7 Ų91.778%0.78453%0.527SS*.THydrogen-bonded Turntrans130.9-8.8173.200000117.3V27V27-G29 PolarHBondContact O-N 2.82Å
30K62.3Low67Low139 Ų13995.7 Ų95.760%0.60454%0.538SS*.  trans-105.1-2179.2-74.4-173.7178.2178.40115.6D32 A33 H34K30-D32 PolarHBondContact O-N 3.16Å; K30-A33 PolarHBondContact O-N 3.43Å; K30-H34 PolarHBondContact O-N 2.89Å
31A65.4Low67.4Low46 Ų46101 Ų10138%0.3856%0.557SS.*Hα-helixtrans-62.7-42.1-179.500000112.5F21 A33 H34 A35F21-A31 HydrophobicContact CD1-CB 4.49Å; F21-A31 HydrophobicContact CE1-CB 4.22Å; A31-A33 PolarHBondContact O-N 3.38Å; A31-H34 PolarHBondContact O-N 3.49Å; A31-A35 WeakPolarHBondContact O-CB 3.24Å; A31-A35 PolarHBondContact O-N 2.78Å
32D71.4Confident67.8Low138 Ų138100.2 Ų100.274%0.73856%0.556SS**Hα-helixtrans-63.8-38.9-179-81.1-11.1000113K30 H34 A35 A36K30-D32 PolarHBondContact O-N 3.16Å; D32-H34 VanDerWaalsContact C-N 3.32Å; D32-H34 PolarHBondContact O-N 2.86Å; D32-A35 WeakPolarHBondContact O-CB 3.35Å; D32-A35 PolarHBondContact O-N 2.95Å; D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.46Å
33A71.2Confident68.6Low64 Ų6498.3 Ų98.353%0.52955%0.55SS..Hα-helixtrans-66.1-37.1177.300000111.7K30 A31 T37K30-A33 PolarHBondContact O-N 3.43Å; A31-A33 PolarHBondContact O-N 3.38Å; A33-T37 PolarHBondContact O-N 3.26Å; A33-T37 VanDerWaalsContact O-N 3.08Å; A33-T37 PolarHBondContact O-OG1 3.47Å
34H72.4Confident69.6Low63 Ų6394.9 Ų94.929%0.29253%0.534SS..Hα-helixtrans-70.5-42.2175.5-166.154.1000111.6K30 A31 D32 A36 T37 L38K30-H34 PolarHBondContact O-N 2.89Å; A31-H34 PolarHBondContact O-N 3.49Å; D32-H34 VanDerWaalsContact C-N 3.32Å; D32-H34 PolarHBondContact O-N 2.86Å; H34-A36 VanDerWaalsContact C-N 3.35Å; H34-A36 PolarHBondContact O-N 3.22Å; H34-T37 PolarHBondContact O-N 3.43Å; H34-L38 PolarHBondContact O-N 2.84Å
35A71.4Confident70.4Confident29 Ų2993.8 Ų93.824%0.2453%0.528CS..Hα-helixtrans-55.3-49.5173.400000111.1F21 A31 D32 T37 L38 V39F21-A35 HydrophobicContact CE1-CB 4.36Å; F21-A35 HydrophobicContact CZ-CB 3.75Å; A31-A35 WeakPolarHBondContact O-CB 3.24Å; A31-A35 PolarHBondContact O-N 2.78Å; D32-A35 WeakPolarHBondContact O-CB 3.35Å; D32-A35 PolarHBondContact O-N 2.95Å; A35-T37 VanDerWaalsContact C-N 3.32Å; A35-T37 PolarHBondContact O-N 2.75Å; A35-L38 WeakPolarHBondContact O-CB 3.21Å; A35-L38 PolarHBondContact O-N 2.95Å; A35-L38 VanDerWaalsContact O-N 3.17Å; A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 2.83Å
36A79Confident71.8Confident60 Ų6089.3 Ų89.350%0.49651%0.512SS..Hα-helixtrans-61-39.4178.100000112.4D32 H34 V39 M40D32-A36 WeakPolarHBondContact O-CB 3.31Å; D32-A36 PolarHBondContact O-N 3.46Å; H34-A36 VanDerWaalsContact C-N 3.35Å; H34-A36 PolarHBondContact O-N 3.22Å; A36-V39 PolarHBondContact O-N 3.42Å; A36-M40 WeakPolarHBondContact O-CB 3.33Å; A36-M40 PolarHBondContact O-N 2.81Å
37T78.9Confident73.2Confident65 Ų6587.9 Ų87.940%0.39950%0.501SS..Hα-helixtrans-67.1-39.1176.3-51.20000111.7A33 H34 A35 K41A33-T37 PolarHBondContact O-N 3.26Å; A33-T37 VanDerWaalsContact O-N 3.08Å; A33-T37 PolarHBondContact O-OG1 3.47Å; H34-T37 PolarHBondContact O-N 3.43Å; A35-T37 VanDerWaalsContact C-N 3.32Å; A35-T37 PolarHBondContact O-N 2.75Å; T37-K41 WeakPolarHBondContact O-CG 3.12Å; T37-K41 PolarHBondContact O-N 3.32Å; T37-K41 VanDerWaalsContact O-N 3.09Å
38L76.2Confident74.5Confident18 Ų1889 Ų899%0.09450%0.499CS..Hα-helixtrans-63.9-46.5175.3-127.391.1000111M1 W16 H34 A35 M40 K41 L42M1-L38 HydrophobicContact CE-CD1 3.48Å; M1-L38 VanDerWaalsContact CE-CD1 3.48Å; M1-L38 HydrophobicContact CE-CD2 3.81Å; M1-L38 HydrophobicContact CE-CG 3.59Å; W16-L38 HydrophobicContact CH2-CD2 3.46Å; W16-L38 VanDerWaalsContact CH2-CD2 3.46Å; W16-L38 HydrophobicContact CH2-CG 4.46Å; W16-L38 HydrophobicContact CZ2-CD2 4.39Å; W16-L38 HydrophobicContact CZ3-CD2 3.84Å; H34-L38 PolarHBondContact O-N 2.84Å; A35-L38 WeakPolarHBondContact O-CB 3.21Å; A35-L38 PolarHBondContact O-N 2.95Å; A35-L38 VanDerWaalsContact O-N 3.17Å; L38-M40 PolarHBondContact O-N 3.11Å; L38-K41 PolarHBondContact O-N 2.9Å; L38-L42 PolarHBondContact O-N 3.36Å
39V81.3Confident75.8Confident78 Ų7885.2 Ų85.247%0.47347%0.473SS..Hα-helixtrans-60.4-45.6177.7169.90000110.4A35 A36 K41 L42 Q43A35-V39 VanDerWaalsContact O-CG2 3.3Å; A35-V39 WeakPolarHBondContact O-CG2 3.32Å; A35-V39 PolarHBondContact O-N 2.83Å; A36-V39 PolarHBondContact O-N 3.42Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3.33Å; V39-L42 PolarHBondContact O-N 2.76Å; V39-Q43 WeakPolarHBondContact O-CB 3.48Å; V39-Q43 PolarHBondContact O-N 2.89Å
40M82.6Confident76.9Confident116 Ų11685.9 Ų85.957%0.57146%0.459SS*.Hα-helixtrans-62.4-39.5178.4-167.4171.378.500112A36 L38 Q43 L44A36-M40 WeakPolarHBondContact O-CB 3.33Å; A36-M40 PolarHBondContact O-N 2.81Å; L38-M40 PolarHBondContact O-N 3.11Å; M40-Q43 PolarHBondContact O-N 2.73Å; M40-L44 WeakPolarHBondContact O-CG 3.36Å; M40-L44 PolarHBondContact O-N 3.32Å
41K77.8Confident78Confident133 Ų13383.6 Ų83.658%0.57845%0.453SS*.Hα-helixtrans-65.2-41.5174.2-76-176.4179.5-1760112.4T37 L38 V39 Q43 F45T37-K41 WeakPolarHBondContact O-CG 3.12Å; T37-K41 PolarHBondContact O-N 3.32Å; T37-K41 VanDerWaalsContact O-N 3.09Å; L38-K41 PolarHBondContact O-N 2.9Å; V39-K41 VanDerWaalsContact C-N 3.32Å; V39-K41 PolarHBondContact O-N 3.33Å; K41-Q43 VanDerWaalsContact C-N 3.34Å; K41-F45 PolarHBondContact O-N 3.24Å; K41-F45 VanDerWaalsContact O-N 3.11Å
42L78.5Confident78.9Confident52 Ų5284.1 Ų84.127%0.27246%0.457SS..Hα-helixtrans-65.3-37.4174.8-77.2164.1000111.8F6 W16 L38 V39 F45 I46F6-L42 HydrophobicContact CZ-CD2 4.26Å; W16-L42 HydrophobicContact CH2-CD1 4.35Å; L38-L42 PolarHBondContact O-N 3.36Å; V39-L42 PolarHBondContact O-N 2.76Å; L42-F45 PolarHBondContact O-N 3.22Å; L42-I46 WeakPolarHBondContact O-CG1 3.13Å; L42-I46 PolarHBondContact O-N 3.15Å
43Q80.4Confident79.4Confident123 Ų12382.6 Ų82.658%0.57545%0.448SS*.Hα-helixtrans-65.7-43.9176-99.9169.4-3300112.9V39 M40 K41 F45 I46 Q47V39-Q43 WeakPolarHBondContact O-CB 3.48Å; V39-Q43 PolarHBondContact O-N 2.89Å; M40-Q43 PolarHBondContact O-N 2.73Å; K41-Q43 VanDerWaalsContact C-N 3.34Å; Q43-F45 PolarHBondContact O-N 3.44Å; Q43-I46 PolarHBondContact O-N 2.76Å; Q43-Q47 PolarHBondContact O-N 2.71Å
44L81.4Confident80.1Confident99 Ų9985.1 Ų85.152%0.51845%0.449SS..Hα-helixtrans-60.6-39173.9-74.1171.2000111.2M40 Q47 E48M40-L44 WeakPolarHBondContact O-CG 3.36Å; M40-L44 PolarHBondContact O-N 3.32Å; L44-Q47 WeakPolarHBondContact O-CB 3.28Å; L44-Q47 PolarHBondContact O-N 3.41Å; L44-E48 PolarHBondContact O-N 2.82Å
45F77.2Confident80.8Confident86 Ų8688.3 Ų88.338%0.37746%0.464SS..Hα-helixtrans-66.9-43.3176.7-175.7-104.9000112.8K41 L42 Q43 Q47 E48 V49K41-F45 PolarHBondContact O-N 3.24Å; K41-F45 VanDerWaalsContact O-N 3.11Å; L42-F45 PolarHBondContact O-N 3.22Å; Q43-F45 PolarHBondContact O-N 3.44Å; F45-Q47 PolarHBondContact O-N 2.78Å; F45-E48 PolarHBondContact O-N 3.48Å; F45-V49 HydrophobicContact CD1-CG2 4.03Å; F45-V49 HydrophobicContact CD2-CG2 4.42Å; F45-V49 HydrophobicContact CE1-CG2 3.58Å; F45-V49 HydrophobicContact CE2-CG2 4.02Å; F45-V49 HydrophobicContact CG-CG2 4.44Å; F45-V49 HydrophobicContact CZ-CG2 3.58Å; F45-V49 WeakPolarHBondContact O-CG2 3.44Å; F45-V49 PolarHBondContact O-N 3.38Å
46I79.6Confident81.3Confident98 Ų9890.4 Ų90.450%0.50348%0.477SS..Hα-helixtrans-56-38.8173-71.6165.1000110.1L42 Q43 N50L42-I46 WeakPolarHBondContact O-CG1 3.13Å; L42-I46 PolarHBondContact O-N 3.15Å; Q43-I46 PolarHBondContact O-N 2.76Å; I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 2.99Å; I46-N50 PolarHBondContact O-ND2 3.09Å
47Q82.4Confident81.4Confident119 Ų11990.4 Ų90.456%0.55647%0.473SS*.Hα-helixtrans-72-39.8178.8-166.1153.5500113Q43 L44 F45 N50 N51Q43-Q47 PolarHBondContact O-N 2.71Å; L44-Q47 WeakPolarHBondContact O-CB 3.28Å; L44-Q47 PolarHBondContact O-N 3.41Å; F45-Q47 PolarHBondContact O-N 2.78Å; Q47-N50 PolarHBondContact O-N 2.69Å; Q47-N51 WeakPolarHBondContact O-CB 3.12Å; Q47-N51 VanDerWaalsContact O-CG 3.3Å; Q47-N51 PolarHBondContact O-N 2.87Å
48E80.9Confident81.8Confident133 Ų13391.1 Ų91.162%0.62148%0.475SS*.Hα-helixtrans-62.4-43.6172.6-76.8179.1171.800111.9L44 F45 N51 A52L44-E48 PolarHBondContact O-N 2.82Å; F45-E48 PolarHBondContact O-N 3.48Å; E48-N51 PolarHBondContact O-N 3.4Å; E48-A52 WeakPolarHBondContact O-CB 3.48Å; E48-A52 PolarHBondContact O-N 3.29Å
49V81Confident82.2Confident55 Ų5595.6 Ų95.633%0.33350%0.495SS..Hα-helixtrans-64.2-44.6176.7172.20000110.9F45 N51 A52 I53F45-V49 HydrophobicContact CD1-CG2 4.03Å; F45-V49 HydrophobicContact CD2-CG2 4.42Å; F45-V49 HydrophobicContact CE1-CG2 3.58Å; F45-V49 HydrophobicContact CE2-CG2 4.02Å; F45-V49 HydrophobicContact CG-CG2 4.44Å; F45-V49 HydrophobicContact CZ-CG2 3.58Å; F45-V49 WeakPolarHBondContact O-CG2 3.44Å; F45-V49 PolarHBondContact O-N 3.38Å; V49-N51 PolarHBondContact O-N 3.24Å; V49-A52 PolarHBondContact O-N 2.54Å; V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 HydrophobicContact CG1-CG1 4.39Å; V49-I53 WeakPolarHBondContact O-CB 3.28Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.94Å
50N84.1Confident82.2Confident90 Ų9094.6 Ų94.648%0.48150%0.495SS..Hα-helixtrans-61.9-43.2177.1-75.8-22.5000111.7I46 Q47 I53 E54I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 2.99Å; I46-N50 PolarHBondContact O-ND2 3.09Å; Q47-N50 PolarHBondContact O-N 2.69Å; N50-I53 PolarHBondContact O-N 3.4Å; N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 PolarHBondContact O-N 3.26Å
51N85.6Confident82.2Confident90 Ų9094.1 Ų94.148%0.48150%0.495SS..Hα-helixtrans-63.7-42.5176.7-75.8-5.9000111.9Q47 E48 V49 I53 E54 E55Q47-N51 WeakPolarHBondContact O-CB 3.12Å; Q47-N51 VanDerWaalsContact O-CG 3.3Å; Q47-N51 PolarHBondContact O-N 2.87Å; E48-N51 PolarHBondContact O-N 3.4Å; V49-N51 PolarHBondContact O-N 3.24Å; N51-I53 VanDerWaalsContact C-N 3.34Å; N51-I53 PolarHBondContact O-N 3.42Å; N51-E54 PolarHBondContact O-N 2.84Å; N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.79Å
52A83.8Confident82.5Confident58 Ų5895 Ų9548%0.47950%0.501SS..Hα-helixtrans-64.6-39.4177.500000112E48 V49 S56E48-A52 WeakPolarHBondContact O-CB 3.48Å; E48-A52 PolarHBondContact O-N 3.29Å; V49-A52 PolarHBondContact O-N 2.54Å; A52-S56 VanDerWaalsContact O-CB 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.36Å; A52-S56 PolarHBondContact O-N 2.99Å
53I82.3Confident82.8Confident105 Ų10596.8 Ų96.854%0.53851%0.51SS..Hα-helixtrans-64.1-43.1174-71.5170.6000110.5V49 N50 N51 S56 S57V49-I53 HydrophobicContact CG1-CD1 3.75Å; V49-I53 HydrophobicContact CG1-CG1 4.39Å; V49-I53 WeakPolarHBondContact O-CB 3.28Å; V49-I53 VanDerWaalsContact O-CG1 3.28Å; V49-I53 WeakPolarHBondContact O-CG1 3.25Å; V49-I53 PolarHBondContact O-N 2.94Å; N50-I53 PolarHBondContact O-N 3.4Å; N51-I53 VanDerWaalsContact C-N 3.34Å; N51-I53 PolarHBondContact O-N 3.42Å; I53-S56 PolarHBondContact O-N 2.94Å; I53-S57 WeakPolarHBondContact O-CB 3.43Å; I53-S57 PolarHBondContact O-N 3.05Å
54E86.1Confident83Confident118 Ų11896.4 Ų96.455%0.55151%0.51SS*.Hα-helixtrans-67.6-39.3-179.6-165.2169.3-161.900112N50 N51 S57 N58N50-E54 WeakPolarHBondContact O-CB 3.36Å; N50-E54 PolarHBondContact O-N 3.26Å; N51-E54 PolarHBondContact O-N 2.84Å; E54-S57 PolarHBondContact O-N 3.31Å; E54-N58 WeakPolarHBondContact O-CB 3.33Å; E54-N58 PolarHBondContact O-N 2.71Å; E54-N58 PolarHBondContact O-ND2 3.49Å; E54-N58 VanDerWaalsContact O-ND2 3.09Å
55E85.8Confident83.1Confident129 Ų12994.9 Ų94.960%0.60351%0.506SS*.Hα-helixtrans-65.6-44.7174.4-169.6172.2-167.900111.6N51 N58 Q59N51-E55 WeakPolarHBondContact O-CB 3.4Å; N51-E55 PolarHBondContact O-N 2.79Å; E55-N58 PolarHBondContact O-N 3.22Å; E55-Q59 PolarHBondContact O-N 2.71Å
56S82.3Confident83.4Confident74 Ų7499 Ų9952%0.51752%0.519SS..Hα-helixtrans-65.3-40.4176.3-169.90000112.1A52 I53 Q59 A60A52-S56 VanDerWaalsContact O-CB 3.3Å; A52-S56 WeakPolarHBondContact O-CB 3.36Å; A52-S56 PolarHBondContact O-N 2.99Å; I53-S56 PolarHBondContact O-N 2.94Å; S56-Q59 PolarHBondContact O-N 2.89Å; S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 3.49Å
57S81.9Confident83.6Confident59 Ų5998.2 Ų98.241%0.41352%0.519SS..Hα-helixtrans-63.7-44176.2-173.80000111.6I53 E54 A60 L61I53-S57 WeakPolarHBondContact O-CB 3.43Å; I53-S57 PolarHBondContact O-N 3.05Å; E54-S57 PolarHBondContact O-N 3.31Å; S57-A60 WeakPolarHBondContact O-CB 3.49Å; S57-A60 PolarHBondContact O-N 2.99Å; S57-L61 WeakPolarHBondContact O-CB 3.46Å; S57-L61 WeakPolarHBondContact O-CG 3.39Å; S57-L61 PolarHBondContact O-N 3.41Å
58N86.1Confident83.8Confident81 Ų8198.1 Ų98.143%0.43352%0.521SS..Hα-helixtrans-66.4-39.9176.8-79.9-42.9000112.2E54 E55 A60 L61 Q62E54-N58 WeakPolarHBondContact O-CB 3.33Å; E54-N58 PolarHBondContact O-N 2.71Å; E54-N58 PolarHBondContact O-ND2 3.49Å; E54-N58 VanDerWaalsContact O-ND2 3.09Å; E55-N58 PolarHBondContact O-N 3.22Å; N58-A60 VanDerWaalsContact C-N 3.34Å; N58-L61 PolarHBondContact O-N 2.95Å; N58-Q62 WeakPolarHBondContact O-CB 3.48Å; N58-Q62 WeakPolarHBondContact O-CG 3.21Å; N58-Q62 PolarHBondContact O-N 2.88Å
59Q84.1Confident84Confident111 Ų111100.6 Ų100.652%0.51953%0.525SS..Hα-helixtrans-62.3-41.5171.7-83.2-175.5-4.200111.9E55 S56 Q62 N63E55-Q59 PolarHBondContact O-N 2.71Å; S56-Q59 PolarHBondContact O-N 2.89Å; Q59-Q62 PolarHBondContact O-N 2.93Å; Q59-N63 WeakPolarHBondContact O-CB 3.46Å; Q59-N63 VanDerWaalsContact O-CG 3.29Å; Q59-N63 PolarHBondContact O-N 2.89Å; Q59-N63 PolarHBondContact O-ND2 3.26Å
60A81.9Confident84.3Confident58 Ų58102.2 Ų102.248%0.47953%0.532SS..Hα-helixtrans-62-47176.200000111.1S56 S57 N58 Q62 N63 M64S56-A60 WeakPolarHBondContact O-CB 3.48Å; S56-A60 PolarHBondContact O-N 3.49Å; S57-A60 WeakPolarHBondContact O-CB 3.49Å; S57-A60 PolarHBondContact O-N 2.99Å; N58-A60 VanDerWaalsContact C-N 3.34Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.48Å; A60-N63 PolarHBondContact O-N 3.43Å; A60-M64 WeakPolarHBondContact O-CB 3.39Å; A60-M64 PolarHBondContact O-N 2.87Å
61L83.5Confident84.4Confident106 Ų106102 Ų10256%0.55553%0.533SS*.Hα-helixtrans-62.5-37.8177.7-76.2169.3000112.7S57 N58 P65S57-L61 WeakPolarHBondContact O-CB 3.46Å; S57-L61 WeakPolarHBondContact O-CG 3.39Å; S57-L61 PolarHBondContact O-N 3.41Å; N58-L61 PolarHBondContact O-N 2.95Å; L61-P65 VanDerWaalsContact O-CD 3.3Å; L61-P65 WeakPolarHBondContact O-CD 3.3Å
62Q83.9Confident84.4Confident151 Ų151101.9 Ų101.971%0.70653%0.53SS*.Hα-helixtrans-70.6-34.8176.9-75.3-179.18.400112.9N58 Q59 A60 P65N58-Q62 WeakPolarHBondContact O-CB 3.48Å; N58-Q62 WeakPolarHBondContact O-CG 3.21Å; N58-Q62 PolarHBondContact O-N 2.88Å; Q59-Q62 PolarHBondContact O-N 2.93Å; A60-Q62 VanDerWaalsContact C-N 3.34Å; A60-Q62 PolarHBondContact O-N 3.48Å; Q62-P65 WeakPolarHBondContact O-CD 3.47Å
63N85.1Confident84.5Confident89 Ų89101.2 Ų101.248%0.47653%0.525SS..Hα-helixtrans-84.8-23.3-177.8-69.7-34.5000113.2Q59 A60 R66 V67Q59-N63 WeakPolarHBondContact O-CB 3.46Å; Q59-N63 VanDerWaalsContact O-CG 3.29Å; Q59-N63 PolarHBondContact O-N 2.89Å; Q59-N63 PolarHBondContact O-ND2 3.26Å; A60-N63 PolarHBondContact O-N 3.43Å; N63-R66 WeakPolarHBondContact O-CB 3.4Å; N63-R66 PolarHBondContact O-N 3.02Å; N63-R66 VanDerWaalsContact O-N 3.12Å; N63-V67 WeakPolarHBondContact O-CG2 3.34Å; N63-V67 PolarHBondContact O-N 2.8Å
64M83.6Confident84.8Confident116 Ų116101.8 Ų101.857%0.57153%0.528SS*.Hα-helixtrans-57.3-41.5-176.2-153165.5-170.600114.9A60 R66 V67 L68A60-M64 WeakPolarHBondContact O-CB 3.39Å; A60-M64 PolarHBondContact O-N 2.87Å; M64-R66 VanDerWaalsContact C-N 3.29Å; M64-R66 PolarHBondContact O-N 2.89Å; M64-V67 PolarHBondContact O-N 3.4Å; M64-L68 PolarHBondContact O-N 3.48Å
65P84.1Confident84.8Confident66 Ų66102 Ų10243%0.42953%0.527SS..Hα-helixtrans-66.1-30.2177.6-21.133.2000113.3L61 Q62 R69L61-P65 VanDerWaalsContact O-CD 3.3Å; L61-P65 WeakPolarHBondContact O-CD 3.3Å; Q62-P65 WeakPolarHBondContact O-CD 3.47Å; P65-R69 PolarHBondContact O-N 3.06Å
66R83.9Confident84.9Confident173 Ų173101.8 Ų101.865%0.65353%0.526SS*.Hα-helixtrans-72-47175-175.5179.2174.9178.10.4109.9N63 M64 L68 R69 D70N63-R66 WeakPolarHBondContact O-CB 3.4Å; N63-R66 PolarHBondContact O-N 3.02Å; N63-R66 VanDerWaalsContact O-N 3.12Å; M64-R66 VanDerWaalsContact C-N 3.29Å; M64-R66 PolarHBondContact O-N 2.89Å; R66-L68 VanDerWaalsContact C-N 3.31Å; R66-L68 PolarHBondContact O-N 2.82Å; R66-R69 WeakPolarHBondContact O-CB 3.49Å; R66-R69 PolarHBondContact O-N 3.44Å; R66-R69 VanDerWaalsContact O-N 3.1Å; R66-D70 VanDerWaalsContact O-CG 3.25Å; R66-D70 PolarHBondContact O-N 3.28Å
67V84.5Confident85.1Confident82 Ų82104.8 Ų104.850%0.49753%0.532SS..Hα-helixtrans-58.8-42.6175.71770000111.3N63 M64 R69 D70 V71N63-V67 WeakPolarHBondContact O-CG2 3.34Å; N63-V67 PolarHBondContact O-N 2.8Å; M64-V67 PolarHBondContact O-N 3.4Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.89Å; V67-D70 PolarHBondContact O-N 3.33Å; V67-V71 HydrophobicContact CG1-CG2 4.27Å; V67-V71 WeakPolarHBondContact O-CB 2.94Å; V67-V71 WeakPolarHBondContact O-CG2 3.17Å; V67-V71 PolarHBondContact O-N 2.9Å
68L84.8Confident85.2Confident116 Ų116104.4 Ų104.461%0.60753%0.533SS*.Hα-helixtrans-62.3-39.6175.7-80.6166.5000112.6M64 R66 E72M64-L68 PolarHBondContact O-N 3.48Å; R66-L68 VanDerWaalsContact C-N 3.31Å; R66-L68 PolarHBondContact O-N 2.82Å; L68-E72 PolarHBondContact O-N 3.41Å
69R86.1Confident85.2Confident186 Ų186103.4 Ų103.470%0.70253%0.532SS*.Hα-helixtrans-66.3-43.8175.1-110-177.5-82.9168.7-8.9111.9P65 R66 V67 V71 E72 A73P65-R69 PolarHBondContact O-N 3.06Å; R66-R69 WeakPolarHBondContact O-CB 3.49Å; R66-R69 PolarHBondContact O-N 3.44Å; R66-R69 VanDerWaalsContact O-N 3.1Å; V67-R69 VanDerWaalsContact C-N 3.34Å; V67-R69 PolarHBondContact O-N 2.89Å; R69-V71 VanDerWaalsContact C-N 3.31Å; R69-V71 PolarHBondContact O-N 2.94Å; R69-E72 PolarHBondContact O-N 3.39Å; R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 3.44Å
70D87.3Confident85.4Confident88 Ų88103.9 Ų103.947%0.47153%0.532SS..Hα-helixtrans-65.3-37.6178.6-65.1-14000110.5R66 V67 A73 L74R66-D70 VanDerWaalsContact O-CG 3.25Å; R66-D70 PolarHBondContact O-N 3.28Å; V67-D70 PolarHBondContact O-N 3.33Å; D70-A73 PolarHBondContact O-N 3.35Å; D70-L74 VanDerWaalsContact O-CB 3.23Å; D70-L74 WeakPolarHBondContact O-CB 3.13Å; D70-L74 PolarHBondContact O-N 3.23Å
71V85.3Confident85.6Confident85 Ų85106 Ų10652%0.51554%0.535SS..Hα-helixtrans-67.3-41.6174.8169.60000112V67 R69 L74 K75V67-V71 HydrophobicContact CG1-CG2 4.27Å; V67-V71 WeakPolarHBondContact O-CB 2.94Å; V67-V71 WeakPolarHBondContact O-CG2 3.17Å; V67-V71 PolarHBondContact O-N 2.9Å; R69-V71 VanDerWaalsContact C-N 3.31Å; R69-V71 PolarHBondContact O-N 2.94Å; V71-L74 PolarHBondContact O-N 3.5Å; V71-K75 WeakPolarHBondContact O-CB 3.19Å; V71-K75 PolarHBondContact O-N 2.96Å
72E85.6Confident85.6Confident89 Ų89108 Ų10842%0.41654%0.539SS..Hα-helixtrans-69-37.6176.8-16665-146.500111.3L68 R69 K75 Q76L68-E72 PolarHBondContact O-N 3.41Å; R69-E72 PolarHBondContact O-N 3.39Å; E72-K75 PolarHBondContact O-N 2.81Å; E72-K75 IonicContact OE1-NZ 3.42Å; E72-K75 PolarHBondContact OE1-NZ 3.34Å; E72-K75 IonicContact OE2-NZ 3.18Å; E72-K75 PolarHBondContact OE2-NZ 3.47Å; E72-Q76 WeakPolarHBondContact O-CG 3.31Å; E72-Q76 PolarHBondContact O-N 2.85Å
73A87.4Confident85.8Confident44 Ų44107 Ų10736%0.36454%0.535SS..Hα-helixtrans-61.4-45.917200000111.1R69 D70 K75 Q76 E77R69-A73 WeakPolarHBondContact O-CB 3.18Å; R69-A73 PolarHBondContact O-N 3.44Å; D70-A73 PolarHBondContact O-N 3.35Å; A73-K75 VanDerWaalsContact C-N 3.31Å; A73-K75 PolarHBondContact O-N 3.42Å; A73-Q76 WeakPolarHBondContact O-CB 3.37Å; A73-Q76 PolarHBondContact O-N 3.48Å; A73-Q76 VanDerWaalsContact O-N 3.13Å; A73-E77 WeakPolarHBondContact O-CG 3.28Å; A73-E77 PolarHBondContact O-N 2.91Å
74L87.2Confident85.7Confident116 Ų116107 Ų10761%0.60753%0.532SS*.Hα-helixtrans-66.2-34.1178.6-159.4137.2000112D70 V71 A78D70-L74 VanDerWaalsContact O-CB 3.23Å; D70-L74 WeakPolarHBondContact O-CB 3.13Å; D70-L74 PolarHBondContact O-N 3.23Å; V71-L74 PolarHBondContact O-N 3.5Å; L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.31Å
75K86.4Confident85.6Confident123 Ų123107.6 Ų107.654%0.53554%0.535SS..Hα-helixtrans-66.3-41.4171.4176.4-177.7157.6-142.50111.7V71 E72 A73 A78 S79V71-K75 WeakPolarHBondContact O-CB 3.19Å; V71-K75 PolarHBondContact O-N 2.96Å; E72-K75 PolarHBondContact O-N 2.81Å; E72-K75 IonicContact OE1-NZ 3.42Å; E72-K75 PolarHBondContact OE1-NZ 3.34Å; E72-K75 IonicContact OE2-NZ 3.18Å; E72-K75 PolarHBondContact OE2-NZ 3.47Å; A73-K75 VanDerWaalsContact C-N 3.31Å; A73-K75 PolarHBondContact O-N 3.42Å; K75-A78 PolarHBondContact O-N 2.87Å; K75-S79 WeakPolarHBondContact O-CB 3.36Å; K75-S79 PolarHBondContact O-N 3.02Å; K75-S79 PolarHBondContact O-OG 3.22Å
76Q88.1Confident85.5Confident125 Ų125108 Ų10858%0.58454%0.536SS*.Hα-helixtrans-64.8-46.5174.5-75.4-173.2-1.100111.2E72 A73 A78 S79 F80E72-Q76 WeakPolarHBondContact O-CG 3.31Å; E72-Q76 PolarHBondContact O-N 2.85Å; A73-Q76 WeakPolarHBondContact O-CB 3.37Å; A73-Q76 PolarHBondContact O-N 3.48Å; A73-Q76 VanDerWaalsContact O-N 3.13Å; Q76-A78 VanDerWaalsContact C-N 3.34Å; Q76-A78 PolarHBondContact O-N 3.46Å; Q76-S79 WeakPolarHBondContact CA-OG 3.38Å; Q76-S79 PolarHBondContact O-N 3.4Å; Q76-S79 VanDerWaalsContact O-N 3.16Å; Q76-S79 PolarHBondContact O-OG 3.24Å; Q76-F80 WeakPolarHBondContact O-CB 3.48Å; Q76-F80 PolarHBondContact O-N 2.93Å
77E86.7Confident85.6Confident136 Ų136104.3 Ų104.364%0.63653%0.528SS*.Hα-helixtrans-59.9-42.4174.7-73.8-179.7179.800111.9A73 S79 F80 L81A73-E77 WeakPolarHBondContact O-CG 3.28Å; A73-E77 PolarHBondContact O-N 2.91Å; E77-S79 PolarHBondContact O-N 3.06Å; E77-F80 PolarHBondContact O-N 2.9Å; E77-L81 VanDerWaalsContact O-CB 3.24Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 3.36Å
78A83.9Confident85.4Confident52 Ų52103.9 Ų103.943%0.4353%0.526SS..Hα-helixtrans-66-36.9175.900000112.2L74 K75 Q76 K82L74-A78 WeakPolarHBondContact O-CB 3.37Å; L74-A78 PolarHBondContact O-N 3.31Å; K75-A78 PolarHBondContact O-N 2.87Å; Q76-A78 VanDerWaalsContact C-N 3.34Å; Q76-A78 PolarHBondContact O-N 3.46Å; A78-K82 VanDerWaalsContact O-CB 3.31Å; A78-K82 WeakPolarHBondContact O-CB 3.22Å; A78-K82 PolarHBondContact O-N 2.81Å
79S86Confident85.2Confident59 Ų59105.7 Ų105.741%0.41353%0.529SS..Hα-helixtrans-68.6-41.6175.469.20000112K75 Q76 E77 K82 E83K75-S79 WeakPolarHBondContact O-CB 3.36Å; K75-S79 PolarHBondContact O-N 3.02Å; K75-S79 PolarHBondContact O-OG 3.22Å; Q76-S79 WeakPolarHBondContact CA-OG 3.38Å; Q76-S79 PolarHBondContact O-N 3.4Å; Q76-S79 VanDerWaalsContact O-N 3.16Å; Q76-S79 PolarHBondContact O-OG 3.24Å; E77-S79 PolarHBondContact O-N 3.06Å; S79-K82 WeakPolarHBondContact O-CB 3.43Å; S79-K82 PolarHBondContact O-N 3.32Å; S79-E83 PolarHBondContact O-N 2.9Å
80F88.1Confident85Confident122 Ų122102.8 Ų102.854%0.53552%0.523SS..Hα-helixtrans-64.5-42.7174.1-178.7-100.9000111.2Q76 E77 K82 E83 Q84Q76-F80 WeakPolarHBondContact O-CB 3.48Å; Q76-F80 PolarHBondContact O-N 2.93Å; E77-F80 PolarHBondContact O-N 2.9Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.93Å; F80-E83 PolarHBondContact O-N 3.18Å; F80-Q84 HydrophobicContact CD1-CG 3.94Å; F80-Q84 HydrophobicContact CE1-CG 3.58Å; F80-Q84 HydrophobicContact CE2-CG 4.43Å; F80-Q84 HydrophobicContact CG-CG 4.5Å; F80-Q84 HydrophobicContact CZ-CG 3.87Å; F80-Q84 WeakPolarHBondContact O-CB 3.32Å; F80-Q84 VanDerWaalsContact O-CG 3.24Å; F80-Q84 WeakPolarHBondContact O-CG 3.42Å; F80-Q84 PolarHBondContact O-N 3.34Å
81L85.6Confident84.6Confident101 Ų101103.2 Ų103.253%0.52953%0.525SS..Hα-helixtrans-62.4-38.7174.3-174.369.8000111.2E77 Q84 M85E77-L81 VanDerWaalsContact O-CB 3.24Å; E77-L81 WeakPolarHBondContact O-CB 3.37Å; E77-L81 PolarHBondContact O-N 3.36Å; L81-Q84 PolarHBondContact O-N 2.84Å; L81-M85 VanDerWaalsContact O-CB 3.31Å; L81-M85 WeakPolarHBondContact O-CB 3.46Å; L81-M85 WeakPolarHBondContact O-CG 3.28Å; L81-M85 PolarHBondContact O-N 2.87Å
82K84.2Confident84Confident150 Ų150103.5 Ų103.565%0.65252%0.523SS*.Hα-helixtrans-63.8-44.3175.6-177.5-177.7175.8-175.30111.2A78 S79 F80 M85 V86A78-K82 VanDerWaalsContact O-CB 3.31Å; A78-K82 WeakPolarHBondContact O-CB 3.22Å; A78-K82 PolarHBondContact O-N 2.81Å; S79-K82 WeakPolarHBondContact O-CB 3.43Å; S79-K82 PolarHBondContact O-N 3.32Å; F80-K82 VanDerWaalsContact C-N 3.29Å; F80-K82 PolarHBondContact O-N 2.93Å; K82-M85 PolarHBondContact O-N 2.78Å; K82-V86 WeakPolarHBondContact O-CG2 3.25Å; K82-V86 PolarHBondContact O-N 2.93Å
83E87.3Confident83.3Confident130 Ų130107 Ų10761%0.60753%0.532SS*.Hα-helixtrans-64.6-43.5175.2-73.5178.5-179.300111.7S79 F80 M85 V86 L87S79-E83 PolarHBondContact O-N 2.9Å; F80-E83 PolarHBondContact O-N 3.18Å; E83-M85 VanDerWaalsContact C-N 3.34Å; E83-M85 PolarHBondContact O-N 3Å; E83-V86 PolarHBondContact O-N 2.76Å; E83-L87 PolarHBondContact O-N 3.26Å
84Q84.8Confident82.8Confident89 Ų89111.1 Ų111.142%0.41654%0.542SS..Hα-helixtrans-58.6-43.1172.1-75.3-96.9-39.300111.6F80 L81 V86 L87 V88F80-Q84 HydrophobicContact CD1-CG 3.94Å; F80-Q84 HydrophobicContact CE1-CG 3.58Å; F80-Q84 HydrophobicContact CE2-CG 4.43Å; F80-Q84 HydrophobicContact CG-CG 4.5Å; F80-Q84 HydrophobicContact CZ-CG 3.87Å; F80-Q84 WeakPolarHBondContact O-CB 3.32Å; F80-Q84 VanDerWaalsContact O-CG 3.24Å; F80-Q84 WeakPolarHBondContact O-CG 3.42Å; F80-Q84 PolarHBondContact O-N 3.34Å; L81-Q84 PolarHBondContact O-N 2.84Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 PolarHBondContact O-N 3.5Å; Q84-L87 PolarHBondContact O-N 2.83Å; Q84-V88 WeakPolarHBondContact O-CB 3.3Å; Q84-V88 WeakPolarHBondContact O-CG2 3.38Å; Q84-V88 PolarHBondContact O-N 3.25Å
85M79.7Confident82.1Confident128 Ų128112.2 Ų112.263%0.63154%0.542SS*.Hα-helixtrans-66.4-34.3176.7-85.4-171.5151.200112.2L81 K82 E83 K89L81-M85 VanDerWaalsContact O-CB 3.31Å; L81-M85 WeakPolarHBondContact O-CB 3.46Å; L81-M85 WeakPolarHBondContact O-CG 3.28Å; L81-M85 PolarHBondContact O-N 2.87Å; K82-M85 PolarHBondContact O-N 2.78Å; E83-M85 VanDerWaalsContact C-N 3.34Å; E83-M85 PolarHBondContact O-N 3Å; M85-K89 WeakPolarHBondContact O-CB 3.26Å; M85-K89 PolarHBondContact O-N 3.45Å
86V83.6Confident81Confident74 Ų74111.9 Ų111.945%0.44854%0.543SS..Hα-helixtrans-67.9-44.8173.9170.90000110.4K82 E83 Q84 K89 E90K82-V86 WeakPolarHBondContact O-CG2 3.25Å; K82-V86 PolarHBondContact O-N 2.93Å; E83-V86 PolarHBondContact O-N 2.76Å; Q84-V86 VanDerWaalsContact C-N 3.33Å; Q84-V86 PolarHBondContact O-N 3.5Å; V86-K89 WeakPolarHBondContact O-CB 3.49Å; V86-K89 PolarHBondContact O-N 3.19Å; V86-E90 PolarHBondContact O-N 2.93Å
87L84.8Confident80.2Confident96 Ų96111.9 Ų111.950%0.50354%0.543SS..Hα-helixtrans-61.4-48.1174.2-84.6161.1000111.8E83 Q84 K89 E90 D91E83-L87 PolarHBondContact O-N 3.26Å; Q84-L87 PolarHBondContact O-N 2.83Å; L87-K89 VanDerWaalsContact C-N 3.27Å; L87-K89 PolarHBondContact O-N 3.39Å; L87-E90 CarbonylContact O-C 3.28Å; L87-E90 PolarHBondContact O-N 3.11Å; L87-E90 VanDerWaalsContact O-N 3.11Å; L87-D91 WeakPolarHBondContact O-CB 3.34Å; L87-D91 PolarHBondContact O-N 3.26Å
88V81.6Confident79.3Confident73 Ų73111 Ų11144%0.44254%0.543SS..Hα-helixtrans-61.1-37.3175.3169.30000110.6Q84 D91 I92Q84-V88 WeakPolarHBondContact O-CB 3.3Å; Q84-V88 WeakPolarHBondContact O-CG2 3.38Å; Q84-V88 PolarHBondContact O-N 3.25Å; V88-D91 PolarHBondContact O-N 3.31Å; V88-I92 HydrophobicContact CG1-CD1 3.66Å; V88-I92 HydrophobicContact CG1-CG1 4.18Å; V88-I92 VanDerWaalsContact O-CB 3.28Å; V88-I92 WeakPolarHBondContact O-CB 3.46Å; V88-I92 WeakPolarHBondContact O-CG1 3.21Å; V88-I92 PolarHBondContact O-N 3.34Å
89K79.4Confident78.4Confident154 Ų154110 Ų11067%0.6753%0.531SS*.Hα-helixtrans-66.7-39.2174.9-178.5-179.3177-178.10111.8M85 V86 L87 R93M85-K89 WeakPolarHBondContact O-CB 3.26Å; M85-K89 PolarHBondContact O-N 3.45Å; V86-K89 WeakPolarHBondContact O-CB 3.49Å; V86-K89 PolarHBondContact O-N 3.19Å; L87-K89 VanDerWaalsContact C-N 3.27Å; L87-K89 PolarHBondContact O-N 3.39Å; K89-R93 WeakPolarHBondContact O-CB 3.49Å; K89-R93 PolarHBondContact O-N 3.37Å
90E81.6Confident77.6Confident124 Ų124111 Ų11158%0.57954%0.535SS*.Hα-helixtrans-69-39.7174.1-76.2-175.2161.100112V86 L87 R93 K94V86-E90 PolarHBondContact O-N 2.93Å; L87-E90 CarbonylContact O-C 3.28Å; L87-E90 PolarHBondContact O-N 3.11Å; L87-E90 VanDerWaalsContact O-N 3.11Å; E90-R93 PolarHBondContact O-N 2.92Å; E90-K94 WeakPolarHBondContact O-CB 3.25Å; E90-K94 PolarHBondContact O-N 3.49Å
91D78.6Confident76.6Confident98 Ų98112.6 Ų112.652%0.52454%0.544SS..Hα-helixtrans-66.1-39.5173.6-81-14000111.4L87 V88 R93 K94 F95L87-D91 WeakPolarHBondContact O-CB 3.34Å; L87-D91 PolarHBondContact O-N 3.26Å; V88-D91 PolarHBondContact O-N 3.31Å; D91-R93 VanDerWaalsContact C-N 3.34Å; D91-K94 PolarHBondContact O-N 3.27Å; D91-F95 WeakPolarHBondContact O-CA 3.41Å; D91-F95 WeakPolarHBondContact O-CB 3.36Å; D91-F95 PolarHBondContact O-N 2.84Å
92I72.6Confident76Confident91 Ų91111 Ų11147%0.46754%0.541SS..Hα-helixtrans-64.6-40.5171.4-72.5166.4000109.8V88 F95 E96V88-I92 HydrophobicContact CG1-CD1 3.66Å; V88-I92 HydrophobicContact CG1-CG1 4.18Å; V88-I92 VanDerWaalsContact O-CB 3.28Å; V88-I92 WeakPolarHBondContact O-CB 3.46Å; V88-I92 WeakPolarHBondContact O-CG1 3.21Å; V88-I92 PolarHBondContact O-N 3.34Å; I92-F95 CarbonylContact O-C 3.6Å; I92-F95 PolarHBondContact O-N 3.16Å; I92-E96 WeakPolarHBondContact O-CB 3.28Å; I92-E96 PolarHBondContact O-N 2.88Å
93R72.8Confident75.3Confident161 Ų161110 Ų11061%0.60854%0.54SS*.Hα-helixtrans-67.8-37.4178.2-154.5-177.6100.5160.15.6111.8K89 E90 D91 Q97K89-R93 WeakPolarHBondContact O-CB 3.49Å; K89-R93 PolarHBondContact O-N 3.37Å; E90-R93 PolarHBondContact O-N 2.92Å; D91-R93 VanDerWaalsContact C-N 3.34Å; R93-Q97 WeakPolarHBondContact O-CB 3.45Å; R93-Q97 VanDerWaalsContact O-CG 3.25Å; R93-Q97 WeakPolarHBondContact O-CG 3.22Å; R93-Q97 PolarHBondContact O-N 2.89Å
94K76.6Confident74.8Confident132 Ų132109.2 Ų109.257%0.57454%0.536SS*.Hα-helixtrans-66.5-45.5170.7-104.5-178.9174.4176.10111.3E90 D91 Q97 D98E90-K94 WeakPolarHBondContact O-CB 3.25Å; E90-K94 PolarHBondContact O-N 3.49Å; D91-K94 PolarHBondContact O-N 3.27Å; K94-Q97 CarbonylContact O-C 3.57Å; K94-Q97 PolarHBondContact O-N 3.42Å; K94-Q97 VanDerWaalsContact O-N 3.15Å; K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 VanDerWaalsContact O-CG 3.29Å; K94-D98 PolarHBondContact O-N 3.43Å
95F70.9Confident74.5Confident138 Ų138108.9 Ų108.961%0.60554%0.54SS*.Hα-helixtrans-63.4-44.2178.2-169-95.4000110.4D91 I92 D98 T99D91-F95 WeakPolarHBondContact O-CA 3.41Å; D91-F95 WeakPolarHBondContact O-CB 3.36Å; D91-F95 PolarHBondContact O-N 2.84Å; I92-F95 CarbonylContact O-C 3.6Å; I92-F95 PolarHBondContact O-N 3.16Å; F95-D98 PolarHBondContact O-N 3.48Å; F95-T99 HydrophobicContact CD1-CG2 3.97Å; F95-T99 WeakPolarHBondContact CD1-OG1 3.42Å; F95-T99 HydrophobicContact CD2-CG2 4.2Å; F95-T99 HydrophobicContact CE1-CG2 3.57Å; F95-T99 HydrophobicContact CE2-CG2 3.81Å; F95-T99 HydrophobicContact CG-CG2 4.28Å; F95-T99 HydrophobicContact CZ-CG2 3.49Å; F95-T99 VanDerWaalsContact CZ-CG2 3.49Å; F95-T99 WeakPolarHBondContact O-CA 3.39Å; F95-T99 VanDerWaalsContact O-CB 3.28Å; F95-T99 WeakPolarHBondContact O-CB 3.39Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.37Å
96E64.9Low74.5Confident116 Ų116108.2 Ų108.254%0.54254%0.539SS..Hα-helixtrans-57.6-48170.2-88.3-174.7147.900110.4I92 D98 T99 V100I92-E96 WeakPolarHBondContact O-CB 3.28Å; I92-E96 PolarHBondContact O-N 2.88Å; E96-D98 VanDerWaalsContact C-N 3.32Å; E96-D98 PolarHBondContact O-N 3.36Å; E96-T99 PolarHBondContact O-N 3.46Å; E96-V100 WeakPolarHBondContact O-CA 3.3Å; E96-V100 WeakPolarHBondContact O-CB 3.49Å; E96-V100 WeakPolarHBondContact O-CG2 3.33Å; E96-V100 PolarHBondContact O-N 2.83Å
97Q70.1Confident74.4Confident125 Ų125109.1 Ų109.158%0.58454%0.544SS*.Hα-helixtrans-62-38.2177.9-76178.5-18.200113.1R93 K94R93-Q97 WeakPolarHBondContact O-CB 3.45Å; R93-Q97 VanDerWaalsContact O-CG 3.25Å; R93-Q97 WeakPolarHBondContact O-CG 3.22Å; R93-Q97 PolarHBondContact O-N 2.89Å; K94-Q97 CarbonylContact O-C 3.57Å; K94-Q97 PolarHBondContact O-N 3.42Å; K94-Q97 VanDerWaalsContact O-N 3.15Å
98D69.2Low74.3Confident119 Ų119109.6 Ų109.664%0.63654%0.544SS*.Hα-helixtrans-81.3-32.5-179.3-69.7-18000112.6K94 F95 E96K94-D98 WeakPolarHBondContact O-CB 3.41Å; K94-D98 VanDerWaalsContact O-CG 3.29Å; K94-D98 PolarHBondContact O-N 3.43Å; F95-D98 PolarHBondContact O-N 3.48Å; E96-D98 VanDerWaalsContact C-N 3.32Å; E96-D98 PolarHBondContact O-N 3.36Å
99T64.9Low74.5Confident31 Ų31111.2 Ų111.219%0.1955%0.55CS..Hα-helixtrans-97.3-12-179.253.80000114.4F95 E96 Q101 S102 M103F95-T99 HydrophobicContact CD1-CG2 3.97Å; F95-T99 WeakPolarHBondContact CD1-OG1 3.42Å; F95-T99 HydrophobicContact CD2-CG2 4.2Å; F95-T99 HydrophobicContact CE1-CG2 3.57Å; F95-T99 HydrophobicContact CE2-CG2 3.81Å; F95-T99 HydrophobicContact CG-CG2 4.28Å; F95-T99 HydrophobicContact CZ-CG2 3.49Å; F95-T99 VanDerWaalsContact CZ-CG2 3.49Å; F95-T99 WeakPolarHBondContact O-CA 3.39Å; F95-T99 VanDerWaalsContact O-CB 3.28Å; F95-T99 WeakPolarHBondContact O-CB 3.39Å; F95-T99 PolarHBondContact O-N 2.89Å; F95-T99 PolarHBondContact O-OG1 3.37Å; E96-T99 PolarHBondContact O-N 3.46Å; T99-Q101 PolarHBondContact O-N 2.9Å; T99-S102 CarbonylContact O-C 3.59Å; T99-S102 PolarHBondContact O-N 2.77Å; T99-M103 WeakPolarHBondContact O-CB 3.47Å; T99-M103 PolarHBondContact O-N 3.19Å
100V68.2Low74.8Confident80 Ų80108.8 Ų108.849%0.48554%0.544SS..Hα-helixtrans-54.5-40.5173.3156.10000110.5E96 Q104E96-V100 WeakPolarHBondContact O-CA 3.3Å; E96-V100 WeakPolarHBondContact O-CB 3.49Å; E96-V100 WeakPolarHBondContact O-CG2 3.33Å; E96-V100 PolarHBondContact O-N 2.83Å; V100-Q104 WeakPolarHBondContact O-CB 3.25Å; V100-Q104 PolarHBondContact O-N 3.08Å
101Q67.9Low74.9Confident155 Ų155107.6 Ų107.672%0.72454%0.538SS*.Hα-helixtrans-65.3-45.7173-83.5-176.7-900112.5T99 M103 Q104 V105T99-Q101 PolarHBondContact O-N 2.9Å; Q101-M103 PolarHBondContact O-N 2.89Å; Q101-Q104 PolarHBondContact O-N 3.38Å; Q101-V105 VanDerWaalsContact O-CG2 3.28Å; Q101-V105 WeakPolarHBondContact O-CG2 3.34Å; Q101-V105 PolarHBondContact O-N 3.45Å
102S72.7Confident75.3Confident68 Ų68106.8 Ų106.848%0.47654%0.537SS..Hα-helixtrans-67.1-35.2178.9-52.60000113.3T99 V105 L106T99-S102 CarbonylContact O-C 3.59Å; T99-S102 PolarHBondContact O-N 2.77Å; S102-V105 PolarHBondContact O-N 3.16Å; S102-L106 WeakPolarHBondContact O-CG 3.49Å; S102-L106 PolarHBondContact O-N 3.35Å
103M68.9Low76.1Confident127 Ų127107.7 Ų107.763%0.62654%0.537SS*.Hα-helixtrans-76.3-35.6180-161.6159.1172.700110.7T99 Q101 L106 V107T99-M103 WeakPolarHBondContact O-CB 3.47Å; T99-M103 PolarHBondContact O-N 3.19Å; Q101-M103 PolarHBondContact O-N 2.89Å; M103-L106 PolarHBondContact O-N 3.09Å; M103-V107 VanDerWaalsContact O-CG2 3.31Å; M103-V107 WeakPolarHBondContact O-CG2 3.22Å; M103-V107 PolarHBondContact O-N 2.87Å
104Q76Confident76.8Confident114 Ų114102.9 Ų102.953%0.53353%0.528SS..Hα-helixtrans-64.4-41.6168.9-170.5156.11.400111.4V100 Q101 L106 V107 E108V100-Q104 WeakPolarHBondContact O-CB 3.25Å; V100-Q104 PolarHBondContact O-N 3.08Å; Q101-Q104 PolarHBondContact O-N 3.38Å; Q104-L106 PolarHBondContact O-N 3.14Å; Q104-V107 PolarHBondContact O-N 2.94Å; Q104-E108 WeakPolarHBondContact O-CB 3.4Å; Q104-E108 WeakPolarHBondContact O-CG 3.24Å; Q104-E108 PolarHBondContact O-N 3.17Å
105V80.2Confident77.2Confident83 Ų83103.9 Ų103.950%0.50353%0.529SS..Hα-helixtrans-62.8-39.3171.7171.70000111.7Q101 S102 E108 L109Q101-V105 VanDerWaalsContact O-CG2 3.28Å; Q101-V105 WeakPolarHBondContact O-CG2 3.34Å; Q101-V105 PolarHBondContact O-N 3.45Å; S102-V105 PolarHBondContact O-N 3.16Å; V105-E108 PolarHBondContact O-N 3.09Å; V105-L109 WeakPolarHBondContact O-CB 3.49Å; V105-L109 PolarHBondContact O-N 3.24Å
106L78.3Confident77.9Confident113 Ų113103.8 Ų103.859%0.59253%0.531SS*.Hα-helixtrans-66.7-38.7175.9-78167.4000112.7S102 M103 Q104 L109 D110S102-L106 WeakPolarHBondContact O-CG 3.49Å; S102-L106 PolarHBondContact O-N 3.35Å; M103-L106 PolarHBondContact O-N 3.09Å; Q104-L106 PolarHBondContact O-N 3.14Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-D110 WeakPolarHBondContact O-CB 2.99Å; L106-D110 PolarHBondContact O-N 2.92Å
107V82.7Confident78.9Confident94 Ų94103.1 Ų103.157%0.5753%0.528SS*.Hα-helixtrans-66.2-43174.11700000110.5M103 Q104 L109 D110 Q111M103-V107 VanDerWaalsContact O-CG2 3.31Å; M103-V107 WeakPolarHBondContact O-CG2 3.22Å; M103-V107 PolarHBondContact O-N 2.87Å; Q104-V107 PolarHBondContact O-N 2.94Å; V107-L109 VanDerWaalsContact C-N 3.31Å; V107-L109 PolarHBondContact O-N 3.44Å; V107-D110 PolarHBondContact O-N 3.27Å; V107-Q111 VanDerWaalsContact O-CB 3.26Å; V107-Q111 WeakPolarHBondContact O-CB 2.98Å; V107-Q111 PolarHBondContact O-N 2.87Å
108E83Confident79.4Confident105 Ų105102.4 Ų102.449%0.49153%0.528SS..Hα-helixtrans-61.1-41.3173.2-74.6178.3-173.200111.3Q104 V105 Q111 V112Q104-E108 WeakPolarHBondContact O-CB 3.4Å; Q104-E108 WeakPolarHBondContact O-CG 3.24Å; Q104-E108 PolarHBondContact O-N 3.17Å; V105-E108 PolarHBondContact O-N 3.09Å; E108-Q111 PolarHBondContact O-N 2.98Å; E108-V112 WeakPolarHBondContact O-CB 3.45Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.31Å
109L85Confident80Confident108 Ų10899.1 Ų99.157%0.56552%0.517SS*.Hα-helixtrans-70.5-37.2179.6-161.5139.5000112.4V105 L106 V107 V112 K113V105-L109 WeakPolarHBondContact O-CB 3.49Å; V105-L109 PolarHBondContact O-N 3.24Å; L106-L109 PolarHBondContact O-N 3.16Å; V107-L109 VanDerWaalsContact C-N 3.31Å; V107-L109 PolarHBondContact O-N 3.44Å; L109-V112 PolarHBondContact O-N 3.49Å; L109-K113 WeakPolarHBondContact O-CB 3.1Å; L109-K113 PolarHBondContact O-N 3.34Å
110D84.7Confident80.9Confident102 Ų102100 Ų10055%0.54552%0.524SS..Hα-helixtrans-67.9-38.9172.2-170.857.9000111.4L106 V107 K113 S114L106-D110 WeakPolarHBondContact O-CB 2.99Å; L106-D110 PolarHBondContact O-N 2.92Å; V107-D110 PolarHBondContact O-N 3.27Å; D110-K113 PolarHBondContact O-N 2.93Å; D110-S114 VanDerWaalsContact O-CB 3.28Å; D110-S114 WeakPolarHBondContact O-CB 3.27Å; D110-S114 PolarHBondContact O-N 3.2Å
111Q84.7Confident81.6Confident100 Ų10099.3 Ų99.347%0.46752%0.518SS..Hα-helixtrans-65.7-40.6175.2-161.2174.233.300111.5V107 E108 R115V107-Q111 VanDerWaalsContact O-CB 3.26Å; V107-Q111 WeakPolarHBondContact O-CB 2.98Å; V107-Q111 PolarHBondContact O-N 2.87Å; E108-Q111 PolarHBondContact O-N 2.98Å; Q111-R115 WeakPolarHBondContact O-CB 3.4Å; Q111-R115 VanDerWaalsContact O-CG 3.25Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.33Å
112V87Confident82.2Confident80 Ų8093.5 Ų93.549%0.48550%0.496SS..Hα-helixtrans-65-44.2172170.50000110.7E108 L109 R115 M116E108-V112 WeakPolarHBondContact O-CB 3.45Å; E108-V112 VanDerWaalsContact O-CG2 3.25Å; E108-V112 WeakPolarHBondContact O-CG2 3.41Å; E108-V112 PolarHBondContact O-N 3.31Å; L109-V112 PolarHBondContact O-N 3.49Å; V112-R115 PolarHBondContact O-N 3.29Å; V112-M116 HydrophobicContact CG1-CG 4.36Å; V112-M116 HydrophobicContact CG1-SD 4.18Å; V112-M116 WeakPolarHBondContact O-CB 3.48Å; V112-M116 WeakPolarHBondContact O-CG 3.46Å; V112-M116 PolarHBondContact O-N 3.2Å
113K89.9Confident82.7Confident110 Ų11096.2 Ų96.248%0.47851%0.505SS..Hα-helixtrans-62.2-44.5177.9179.9-177.2175.6-169.20111.9L109 D110 M116 H117L109-K113 WeakPolarHBondContact O-CB 3.1Å; L109-K113 PolarHBondContact O-N 3.34Å; D110-K113 PolarHBondContact O-N 2.93Å; K113-M116 PolarHBondContact O-N 3.38Å; K113-H117 PolarHBondContact O-CD2 3.29Å; K113-H117 PolarHBondContact O-N 2.82Å
114S87.5Confident83.5Confident61 Ų6195 Ų9543%0.42750%0.498SS..Hα-helixtrans-61.8-46.6176.3-179.50000110.8D110 M116 H117 L118D110-S114 VanDerWaalsContact O-CB 3.28Å; D110-S114 WeakPolarHBondContact O-CB 3.27Å; D110-S114 PolarHBondContact O-N 3.2Å; S114-M116 VanDerWaalsContact C-N 3.34Å; S114-M116 PolarHBondContact O-N 2.95Å; S114-H117 PolarHBondContact O-N 3.13Å; S114-L118 WeakPolarHBondContact O-CG 3.34Å; S114-L118 PolarHBondContact O-N 3.04Å
115R84Confident83.9Confident153 Ų15391.3 Ų91.358%0.57748%0.481SS*.Hα-helixtrans-61.3-40.1173.4-72.7176.3-172.4173.46.6112.4Q111 V112 L118 A119Q111-R115 WeakPolarHBondContact O-CB 3.4Å; Q111-R115 VanDerWaalsContact O-CG 3.25Å; Q111-R115 WeakPolarHBondContact O-CG 3.32Å; Q111-R115 PolarHBondContact O-N 3.33Å; V112-R115 PolarHBondContact O-N 3.29Å; R115-L118 PolarHBondContact O-N 3.49Å; R115-A119 VanDerWaalsContact O-CB 3.25Å; R115-A119 WeakPolarHBondContact O-CB 3.4Å; R115-A119 PolarHBondContact O-N 3.32Å
116M85.6Confident84.1Confident135 Ų13588.9 Ų88.967%0.66547%0.469SS*.Hα-helixtrans-66.2-39.5176.4-81.2-174.976.300112.1V112 K113 S114 S120V112-M116 HydrophobicContact CG1-CG 4.36Å; V112-M116 HydrophobicContact CG1-SD 4.18Å; V112-M116 WeakPolarHBondContact O-CB 3.48Å; V112-M116 WeakPolarHBondContact O-CG 3.46Å; V112-M116 PolarHBondContact O-N 3.2Å; K113-M116 PolarHBondContact O-N 3.38Å; S114-M116 VanDerWaalsContact C-N 3.34Å; S114-M116 PolarHBondContact O-N 2.95Å; M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.77Å
117H85.6Confident84.3Confident102 Ų10288.7 Ų88.747%0.47247%0.469SS..Hα-helixtrans-65.2-47.8174.1-85.6-63.8000111.5K113 S114 A119 S120 D121K113-H117 PolarHBondContact O-CD2 3.29Å; K113-H117 PolarHBondContact O-N 2.82Å; S114-H117 PolarHBondContact O-N 3.13Å; H117-A119 VanDerWaalsContact C-N 3.31Å; H117-A119 PolarHBondContact O-N 3.42Å; H117-S120 WeakPolarHBondContact O-CB 3.4Å; H117-S120 PolarHBondContact O-N 2.9Å; H117-S120 VanDerWaalsContact O-N 3.16Å; H117-D121 WeakPolarHBondContact O-CB 3.37Å; H117-D121 VanDerWaalsContact O-CG 3.23Å; H117-D121 PolarHBondContact O-N 2.86Å
118L80.9Confident84.5Confident110 Ų11088.6 Ų88.658%0.57646%0.461SS*.Hα-helixtrans-59.2-42.1176.3-70170.5000112S114 R115 A122S114-L118 WeakPolarHBondContact O-CG 3.34Å; S114-L118 PolarHBondContact O-N 3.04Å; R115-L118 PolarHBondContact O-N 3.49Å; L118-A122 VanDerWaalsContact O-CB 3.27Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.97Å
119A81.4Confident84.8Confident50 Ų5084.3 Ų84.341%0.41344%0.44SS..Hα-helixtrans-67.6-40.1175.800000112.3R115 H117 L123R115-A119 VanDerWaalsContact O-CB 3.25Å; R115-A119 WeakPolarHBondContact O-CB 3.4Å; R115-A119 PolarHBondContact O-N 3.32Å; H117-A119 VanDerWaalsContact C-N 3.31Å; H117-A119 PolarHBondContact O-N 3.42Å; A119-L123 WeakPolarHBondContact O-CB 3.34Å; A119-L123 WeakPolarHBondContact O-CG 3.31Å; A119-L123 PolarHBondContact O-N 3.32Å
120S84.7Confident84.8Confident49 Ų4982.8 Ų82.834%0.34344%0.438SS..Hα-helixtrans-61.3-47.4175.1173.40000111.2M116 H117 L123 Q124M116-S120 WeakPolarHBondContact O-CB 3.41Å; M116-S120 PolarHBondContact O-N 2.77Å; H117-S120 WeakPolarHBondContact O-CB 3.4Å; H117-S120 PolarHBondContact O-N 2.9Å; H117-S120 VanDerWaalsContact O-N 3.16Å; S120-L123 PolarHBondContact O-N 3.29Å; S120-Q124 WeakPolarHBondContact O-CG 3.38Å; S120-Q124 PolarHBondContact O-N 2.85Å
121D83.1Confident84.9Confident67 Ų6781.1 Ų81.136%0.35843%0.432SS..Hα-helixtrans-65.7-43.8-180-65-14.8000110.4H117 L123 Q124 E125H117-D121 WeakPolarHBondContact O-CB 3.37Å; H117-D121 VanDerWaalsContact O-CG 3.23Å; H117-D121 PolarHBondContact O-N 2.86Å; D121-L123 PolarHBondContact O-N 3.48Å; D121-Q124 PolarHBondContact O-N 3.13Å; D121-E125 WeakPolarHBondContact O-CG 3.46Å; D121-E125 PolarHBondContact O-N 2.66Å
122A80.9Confident85.1Confident32 Ų3277.9 Ų77.926%0.26442%0.418SS..Hα-helixtrans-62-40.1174.800000112.7L118 E125 A126 L162L118-A122 VanDerWaalsContact O-CB 3.27Å; L118-A122 WeakPolarHBondContact O-CB 3.44Å; L118-A122 PolarHBondContact O-N 2.97Å; A122-E125 PolarHBondContact O-N 3.4Å; A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.18Å; A122-L162 WeakPolarHBondContact O-CD2 3.49Å
123L82.4Confident85.1Confident125 Ų12575.8 Ų75.865%0.65441%0.407SS*.Hα-helixtrans-66.8-39.8175.8-75.6170.2000111.9A119 S120 D121 A126 D127A119-L123 WeakPolarHBondContact O-CB 3.34Å; A119-L123 WeakPolarHBondContact O-CG 3.31Å; A119-L123 PolarHBondContact O-N 3.32Å; S120-L123 PolarHBondContact O-N 3.29Å; D121-L123 PolarHBondContact O-N 3.48Å; L123-A126 PolarHBondContact O-N 3.34Å; L123-D127 PolarHBondContact O-N 3.42Å
124Q85.5Confident84.9Confident103 Ų10374 Ų7448%0.48141%0.413SS..Hα-helixtrans-63.3-42.9174.1-74.7-178.512.700111.7S120 D121 A126 D127 K128S120-Q124 WeakPolarHBondContact O-CG 3.38Å; S120-Q124 PolarHBondContact O-N 2.85Å; D121-Q124 PolarHBondContact O-N 3.13Å; Q124-A126 VanDerWaalsContact C-N 3.34Å; Q124-D127 PolarHBondContact O-N 2.93Å; Q124-K128 WeakPolarHBondContact O-CB 3.45Å; Q124-K128 VanDerWaalsContact O-CG 3.25Å; Q124-K128 WeakPolarHBondContact O-CG 3.37Å; Q124-K128 PolarHBondContact O-N 3.45Å
125E85.1Confident84.9Confident35 Ų3574.4 Ų74.416%0.16441%0.41CS..Hα-helixtrans-69.2-31.2176.2-65.6-53.7138.500112.5D121 A122 K128 W129 S158 M161 L162D121-E125 WeakPolarHBondContact O-CG 3.46Å; D121-E125 PolarHBondContact O-N 2.66Å; A122-E125 PolarHBondContact O-N 3.4Å; E125-K128 IonicContact OE1-NZ 3.46Å; E125-K128 PolarHBondContact OE1-NZ 3.08Å; E125-K128 WeakPolarHBondContact OE2-CD 3.41Å; E125-W129 WeakPolarHBondContact O-CB 3.31Å; E125-W129 PolarHBondContact O-N 2.72Å; E125-S158 WeakPolarHBondContact OE2-CA 3.5Å; E125-S158 PolarHBondContact OE2-OG 2.98Å; E125-M161 HydrophobicContact CB-CB 4.18Å; E125-M161 HydrophobicContact CG-CB 3.91Å; E125-M161 HydrophobicContact CG-CG 4.14Å; E125-L162 HydrophobicContact CB-CD2 4.48Å; E125-L162 HydrophobicContact CB-CG 4.47Å
126A83.4Confident85.1Confident32 Ų3267.1 Ų67.126%0.26438%0.383SS..Hα-helixtrans-66.5-42172.800000112.2A122 L123 Q124 W129 S130 L162A122-A126 WeakPolarHBondContact O-CB 3.25Å; A122-A126 PolarHBondContact O-N 3.18Å; L123-A126 PolarHBondContact O-N 3.34Å; Q124-A126 VanDerWaalsContact C-N 3.34Å; A126-W129 PolarHBondContact O-N 2.87Å; A126-S130 PolarHBondContact O-N 3.39Å; A126-L162 HydrophobicContact CB-CD2 3.86Å
127D83.4Confident85.1Confident109 Ų10964.5 Ų64.558%0.58337%0.368SS*.Hα-helixtrans-67.5-42.4176.1-171.148000111.6L123 Q124 W129 S130 T131L123-D127 PolarHBondContact O-N 3.42Å; Q124-D127 PolarHBondContact O-N 2.93Å; D127-W129 PolarHBondContact O-N 3.24Å; D127-S130 PolarHBondContact O-N 3.08Å; D127-T131 PolarHBondContact O-N 3Å; D127-T131 PolarHBondContact O-OG1 3.47Å
128K87Confident85.2Confident93 Ų9366 Ų6640%0.40438%0.376SS..Hα-helixtrans-57.6-46.4171.1-74.2172.5-169.7172.30111.4Q124 E125 S130 T131 L132Q124-K128 WeakPolarHBondContact O-CB 3.45Å; Q124-K128 VanDerWaalsContact O-CG 3.25Å; Q124-K128 WeakPolarHBondContact O-CG 3.37Å; Q124-K128 PolarHBondContact O-N 3.45Å; E125-K128 IonicContact OE1-NZ 3.46Å; E125-K128 PolarHBondContact OE1-NZ 3.08Å; E125-K128 WeakPolarHBondContact OE2-CD 3.41Å; K128-S130 PolarHBondContact O-N 3.5Å; K128-T131 PolarHBondContact O-N 2.96Å; K128-L132 WeakPolarHBondContact O-CB 3.36Å; K128-L132 WeakPolarHBondContact O-CG 3.18Å; K128-L132 PolarHBondContact O-N 3.26Å
129W88.4Confident85.5Confident15 Ų1561.6 Ų61.66%0.05735%0.354CS..Hα-helixtrans-58.6-46.5176.2175.3-85.6000111.9E125 A126 D127 T131 L132 S133 M155 L159 L162 K171 L175E125-W129 WeakPolarHBondContact O-CB 3.31Å; E125-W129 PolarHBondContact O-N 2.72Å; A126-W129 PolarHBondContact O-N 2.87Å; D127-W129 PolarHBondContact O-N 3.24Å; W129-T131 VanDerWaalsContact C-N 3.33Å; W129-T131 PolarHBondContact O-N 2.95Å; W129-L132 PolarHBondContact O-N 3.29Å; W129-S133 WeakPolarHBondContact O-CB 3.49Å; W129-S133 PolarHBondContact O-N 2.84Å; W129-M155 HydrophobicContact CD2-CE 4.39Å; W129-M155 HydrophobicContact CE3-CB 4.05Å; W129-M155 HydrophobicContact CE3-CE 4.26Å; W129-M155 HydrophobicContact CE3-CG 4.45Å; W129-M155 HydrophobicContact CH2-CB 4.43Å; W129-M155 HydrophobicContact CH2-CE 3.7Å; W129-M155 HydrophobicContact CZ2-CE 3.83Å; W129-M155 HydrophobicContact CZ3-CB 3.65Å; W129-M155 HydrophobicContact CZ3-CE 3.93Å; W129-M155 HydrophobicContact CZ3-CG 4.34Å; W129-M155 VanDerWaalsContact CZ3-O 3.24Å; W129-M155 WeakPolarHBondContact CZ3-O 3.44Å; W129-L159 HydrophobicContact CE3-CB 4.07Å; W129-L159 HydrophobicContact CE3-CD1 4.18Å; W129-L159 HydrophobicContact CH2-CD1 3.46Å; W129-L159 VanDerWaalsContact CH2-CD1 3.46Å; W129-L159 HydrophobicContact CZ2-CD1 4.09Å; W129-L159 HydrophobicContact CZ3-CB 3.73Å; W129-L159 HydrophobicContact CZ3-CD1 3.51Å; W129-L159 HydrophobicContact CZ3-CG 4.25Å; W129-L162 HydrophobicContact CB-CD1 4.1Å; W129-L162 HydrophobicContact CG-CD1 4.48Å; W129-K171 HydrophobicContact CH2-CB 4.3Å; W129-K171 HydrophobicContact CZ2-CB 3.73Å; W129-K171 HydrophobicContact CZ2-CG 4.1Å; W129-L175 HydrophobicContact CH2-CB 4.07Å; W129-L175 HydrophobicContact CH2-CD1 4.24Å; W129-L175 HydrophobicContact CH2-CD2 4.39Å; W129-L175 HydrophobicContact CH2-CG 4.47Å; W129-L175 HydrophobicContact CZ3-CD1 4.37Å; W129-L175 HydrophobicContact CZ3-CD2 4.35Å
130S85.5Confident85.9Confident75 Ų7559.6 Ų59.652%0.52434%0.336SS..Hα-helixtrans-59.9-44.5178.8-172.30000111.7A126 D127 K128 S133 A134A126-S130 PolarHBondContact O-N 3.39Å; D127-S130 PolarHBondContact O-N 3.08Å; K128-S130 PolarHBondContact O-N 3.5Å; S130-S133 PolarHBondContact O-N 3.38Å; S130-A134 PolarHBondContact O-N 2.8Å
131T87.8Confident86Confident68 Ų6864.9 Ų64.942%0.41735%0.352SS..Hα-helixtrans-64.3-49.3177.3-53.40000111.3D127 K128 W129 S133 A134 D135D127-T131 PolarHBondContact O-N 3Å; D127-T131 PolarHBondContact O-OG1 3.47Å; K128-T131 PolarHBondContact O-N 2.96Å; W129-T131 VanDerWaalsContact C-N 3.33Å; W129-T131 PolarHBondContact O-N 2.95Å; T131-S133 VanDerWaalsContact C-N 3.31Å; T131-S133 PolarHBondContact O-N 3.46Å; T131-A134 PolarHBondContact O-N 3.2Å; T131-D135 PolarHBondContact O-N 3.1Å; T131-D135 VanDerWaalsContact O-N 3.12Å
132L88.6Confident86.1Confident32 Ų3265.8 Ų65.817%0.16836%0.36CS..Hα-helixtrans-61.1-40.2178.8-70.3168.9000111.8K128 W129 D135 I136 K151 A154 M155K128-L132 WeakPolarHBondContact O-CB 3.36Å; K128-L132 WeakPolarHBondContact O-CG 3.18Å; K128-L132 PolarHBondContact O-N 3.26Å; W129-L132 PolarHBondContact O-N 3.29Å; L132-D135 PolarHBondContact O-N 3.23Å; L132-I136 WeakPolarHBondContact O-CB 3.19Å; L132-I136 PolarHBondContact O-N 3.2Å; L132-K151 HydrophobicContact CD2-CD 4.49Å; L132-K151 HydrophobicContact CD2-CG 3.83Å; L132-A154 HydrophobicContact CD1-CB 3.89Å; L132-A154 HydrophobicContact CD2-CB 4.32Å; L132-M155 HydrophobicContact CB-CG 3.55Å; L132-M155 HydrophobicContact CB-SD 4.2Å; L132-M155 HydrophobicContact CD1-CG 3.92Å; L132-M155 HydrophobicContact CG-CG 4.3Å
133S86Confident86.2Confident36 Ų3670.9 Ų70.925%0.25238%0.379SS..Hα-helixtrans-68.5-31.8178-173.20000113.1W129 S130 T131 I136W129-S133 WeakPolarHBondContact O-CB 3.49Å; W129-S133 PolarHBondContact O-N 2.84Å; S130-S133 PolarHBondContact O-N 3.38Å; T131-S133 VanDerWaalsContact C-N 3.31Å; T131-S133 PolarHBondContact O-N 3.46Å; S133-I136 WeakPolarHBondContact O-CG2 3.18Å
134A86.1Confident86.4Confident73 Ų7368.7 Ų68.760%0.60337%0.368SS*.Hα-helixtrans-71-41.7174.900000111S130 T131S130-A134 PolarHBondContact O-N 2.8Å; T131-A134 PolarHBondContact O-N 3.2Å
135D87.6Confident86.5Confident68 Ų6864.4 Ų64.436%0.36435%0.348SS..Hα-helixtrans-85.7-12-173.9-60.5-13.1000113.8T131 L132 E137 E138 T139 K151T131-D135 PolarHBondContact O-N 3.1Å; T131-D135 VanDerWaalsContact O-N 3.12Å; L132-D135 PolarHBondContact O-N 3.23Å; D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.4Å; D135-E138 PolarHBondContact O-N 3.01Å; D135-T139 PolarHBondContact O-N 3.5Å; D135-T139 VanDerWaalsContact O-N 3.16Å; D135-T139 PolarHBondContact O-OG1 3.31Å; D135-K151 IonicContact OD2-NZ 2.8Å
136I88.1Confident86.6Confident1 Ų164.8 Ų64.81%0.00536%0.357CS..Hα-helixtrans-62.7-40-174.3-16565.8000111.4L132 S133 E138 T139 F140 K151 L152 M155 L178L132-I136 WeakPolarHBondContact O-CB 3.19Å; L132-I136 PolarHBondContact O-N 3.2Å; S133-I136 WeakPolarHBondContact O-CG2 3.18Å; I136-E138 VanDerWaalsContact C-N 3.27Å; I136-E138 PolarHBondContact O-N 2.99Å; I136-T139 WeakPolarHBondContact CA-OG1 3.31Å; I136-T139 PolarHBondContact O-N 3.41Å; I136-T139 VanDerWaalsContact O-N 3.13Å; I136-T139 PolarHBondContact O-OG1 3.49Å; I136-F140 HydrophobicContact CD1-CD2 4.37Å; I136-F140 HydrophobicContact CD1-CE2 4.08Å; I136-F140 HydrophobicContact CG1-CD2 3.88Å; I136-F140 HydrophobicContact CG1-CE2 3.71Å; I136-F140 WeakPolarHBondContact O-CD2 3.33Å; I136-F140 PolarHBondContact O-N 3.37Å; I136-K151 HydrophobicContact CD1-CB 3.99Å; I136-K151 HydrophobicContact CD1-CD 4.03Å; I136-K151 HydrophobicContact CD1-CG 3.9Å; I136-L152 HydrophobicContact CD1-CD2 3.93Å; I136-L152 HydrophobicContact CD1-CG 4.35Å; I136-L152 HydrophobicContact CG1-CD2 4.36Å; I136-M155 HydrophobicContact CB-SD 4.3Å; I136-M155 HydrophobicContact CD1-SD 4.12Å; I136-M155 HydrophobicContact CG1-SD 4.17Å; I136-L178 HydrophobicContact CG1-CD1 4.09Å; I136-L178 HydrophobicContact CG1-CD2 4.25Å; I136-L178 HydrophobicContact CG2-CD1 4.14Å; I136-L178 HydrophobicContact CG2-CD2 4.18Å
137E86.6Confident86.8Confident79 Ų7966.3 Ų66.337%0.36936%0.363SS..Hα-helixtrans-63.9-33.4179.2-75.4-63.5160.700112.4D135 R181D135-E137 VanDerWaalsContact C-N 3.32Å; D135-E137 PolarHBondContact O-N 3.4Å; E137-R181 IonicContact OE1-NH1 2.66Å; E137-R181 PolarHBondContact OE1-NH1 3.26Å; E137-R181 IonicContact OE2-CZ 2.68Å; E137-R181 IonicContact OE2-NH1 3.59Å; E137-R181 PolarHBondContact OE2-NH1 3.47Å; E137-R181 IonicContact OE2-NH2 3.82Å; E137-R181 PolarHBondContact OE2-NH2 2.77Å
138E86.4Confident87.1Confident133 Ų13361.1 Ų61.162%0.62134%0.335SS*.Hα-helixtrans-70.2-41.8174.1-124.4-176.2-176.200111.4D135 I136 F140 K141D135-E138 PolarHBondContact O-N 3.01Å; I136-E138 VanDerWaalsContact C-N 3.27Å; I136-E138 PolarHBondContact O-N 2.99Å; E138-F140 VanDerWaalsContact C-N 3.33Å; E138-F140 PolarHBondContact O-N 3.37Å; E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.31Å; E138-K141 VanDerWaalsContact O-N 3.11Å
139T87.9Confident87.3Confident19 Ų1956.7 Ų56.712%0.11732%0.316CS..Hα-helixtrans-64.6-34.8176.551.70000113.1D135 I136 K141 T142 K151D135-T139 PolarHBondContact O-N 3.5Å; D135-T139 VanDerWaalsContact O-N 3.16Å; D135-T139 PolarHBondContact O-OG1 3.31Å; I136-T139 WeakPolarHBondContact CA-OG1 3.31Å; I136-T139 PolarHBondContact O-N 3.41Å; I136-T139 VanDerWaalsContact O-N 3.13Å; I136-T139 PolarHBondContact O-OG1 3.49Å; T139-K141 PolarHBondContact O-N 2.89Å; T139-T142 WeakPolarHBondContact O-CB 3.47Å; T139-T142 PolarHBondContact O-N 2.83Å; T139-T142 PolarHBondContact O-OG1 3.44Å; T139-K151 HydrophobicContact CG2-CD 3.63Å
140F88.9Confident87.4Confident8 Ų859.2 Ų59.24%0.03534%0.336CS..Hα-helixtrans-62.6-25174.4-92.4-81.3000113.4I136 E138 T142 Q143 I148 L152 L178 R181 L182 L185I136-F140 HydrophobicContact CD1-CD2 4.37Å; I136-F140 HydrophobicContact CD1-CE2 4.08Å; I136-F140 HydrophobicContact CG1-CD2 3.88Å; I136-F140 HydrophobicContact CG1-CE2 3.71Å; I136-F140 WeakPolarHBondContact O-CD2 3.33Å; I136-F140 PolarHBondContact O-N 3.37Å; E138-F140 VanDerWaalsContact C-N 3.33Å; E138-F140 PolarHBondContact O-N 3.37Å; F140-T142 VanDerWaalsContact C-N 3.28Å; F140-T142 PolarHBondContact O-N 2.84Å; F140-Q143 PolarHBondContact O-N 3.12Å; F140-I148 HydrophobicContact CD1-CD1 4.12Å; F140-I148 HydrophobicContact CD1-CG2 4.23Å; F140-I148 HydrophobicContact CD2-CG2 4.25Å; F140-I148 HydrophobicContact CE1-CG2 3.79Å; F140-I148 HydrophobicContact CE2-CG2 3.79Å; F140-I148 HydrophobicContact CG-CD1 4.49Å; F140-I148 HydrophobicContact CG-CG2 4.45Å; F140-I148 HydrophobicContact CZ-CG2 3.55Å; F140-L152 HydrophobicContact CZ-CD1 4.48Å; F140-L178 HydrophobicContact CD2-CD2 4.49Å; F140-L178 HydrophobicContact CE2-CB 4.41Å; F140-L178 HydrophobicContact CE2-CD2 3.9Å; F140-L178 WeakPolarHBondContact CZ-O 2.94Å; F140-R181 HydrophobicContact CD1-CG 4.38Å; F140-R181 HydrophobicContact CE1-CB 4.26Å; F140-R181 HydrophobicContact CE1-CG 4.05Å; F140-R181 HydrophobicContact CZ-CB 4.48Å; F140-L182 HydrophobicContact CE1-CB 4.06Å; F140-L182 HydrophobicContact CZ-CB 4.14Å; F140-L185 HydrophobicContact CD1-CD1 3.66Å; F140-L185 HydrophobicContact CE1-CD1 3.94Å
141K87.3Confident87.5Confident160 Ų16057.2 Ų57.270%0.69632%0.318SS*.Hα-helixtrans-70.5-23.8175.3-63.8171.5-173.1170.10112.8E138 T139 Q143E138-K141 WeakPolarHBondContact O-CB 3.18Å; E138-K141 PolarHBondContact O-N 3.31Å; E138-K141 VanDerWaalsContact O-N 3.11Å; T139-K141 PolarHBondContact O-N 2.89Å; K141-Q143 PolarHBondContact O-N 3.22Å
142T85Confident87.6Confident85 Ų8554 Ų5452%0.52130%0.298SS..THydrogen-bonded Turntrans-70.9-20.9-18069.10000113.1T139 F140 D144T139-T142 WeakPolarHBondContact O-CB 3.47Å; T139-T142 PolarHBondContact O-N 2.83Å; T139-T142 PolarHBondContact O-OG1 3.44Å; F140-T142 VanDerWaalsContact C-N 3.28Å; F140-T142 PolarHBondContact O-N 2.84Å; T142-D144 PolarHBondContact O-N 3.27Å; T142-D144 PolarHBondContact OG1-N 3.32Å
143Q83.5Confident87.7Confident139 Ų13953.9 Ų53.965%0.6530%0.299SS*.  trans56.311.6-173.8-58-173.5-5.500115.1F140 K141 M145F140-Q143 PolarHBondContact O-N 3.12Å; K141-Q143 PolarHBondContact O-N 3.22Å; Q143-M145 PolarHBondContact O-N 2.95Å
144D86.9Confident87.8Confident80 Ų8053.9 Ų53.943%0.42830%0.3SS..  trans-83.5106.3174.7-171.4-25.3000110.2T142 A146 V147 I148T142-D144 PolarHBondContact O-N 3.27Å; T142-D144 PolarHBondContact OG1-N 3.32Å; D144-A146 VanDerWaalsContact C-N 3.28Å; D144-A146 PolarHBondContact O-N 3.48Å; D144-A146 PolarHBondContact OD1-N 3.49Å; D144-V147 HydrophobicContact CB-CB 4.17Å; D144-V147 HydrophobicContact CB-CG2 4.06Å; D144-V147 PolarHBondContact O-N 3.28Å; D144-V147 PolarHBondContact OD1-N 3.11Å; D144-I148 WeakPolarHBondContact O-CD1 3.33Å; D144-I148 VanDerWaalsContact O-CG1 3.23Å; D144-I148 WeakPolarHBondContact O-CG1 3.24Å; D144-I148 PolarHBondContact O-N 3.06Å
145M87Confident87.9Confident12 Ų1250.4 Ų50.46%0.05927%0.272CS..Hα-helixtrans-61.8-33.4-175.6-58.3-63.3175.300113Q143 S149 L182 L185 A186Q143-M145 PolarHBondContact O-N 2.95Å; M145-S149 WeakPolarHBondContact O-CB 3.49Å; M145-S149 PolarHBondContact O-N 2.91Å; M145-L182 HydrophobicContact SD-CD1 3.42Å; M145-L182 WeakPolarHBondContact SD-CD1 3.43Å; M145-L185 HydrophobicContact CE-CB 3.96Å; M145-A186 HydrophobicContact CE-CB 4.2Å; M145-A186 HydrophobicContact SD-CB 4.2Å
146A86.8Confident88Confident44 Ų4448.8 Ų48.836%0.36426%0.262SS..Hα-helixtrans-72.3-41.1-178.900000111D144 S150D144-A146 VanDerWaalsContact C-N 3.28Å; D144-A146 PolarHBondContact O-N 3.48Å; D144-A146 PolarHBondContact OD1-N 3.49Å; A146-S150 PolarHBondContact O-N 3.45Å
147V88.3Confident87.9Confident64 Ų6453.7 Ų53.739%0.38829%0.288SS..Hα-helixtrans-66.7-45.7177178.60000110.4D144 S149 S150 K151D144-V147 HydrophobicContact CB-CB 4.17Å; D144-V147 HydrophobicContact CB-CG2 4.06Å; D144-V147 PolarHBondContact O-N 3.28Å; D144-V147 PolarHBondContact OD1-N 3.11Å; V147-S149 PolarHBondContact O-N 3.39Å; V147-S150 PolarHBondContact O-N 2.94Å; V147-S150 PolarHBondContact O-OG 2.84Å; V147-K151 PolarHBondContact O-N 3.45Å
148I89.7Confident88Confident0 Ų050.1 Ų50.10%027%0.272CS..Hα-helixtrans-62.3-44.7177.9-60.8161.6000110.6F140 D144 S150 K151 L152 L182F140-I148 HydrophobicContact CD1-CD1 4.12Å; F140-I148 HydrophobicContact CD1-CG2 4.23Å; F140-I148 HydrophobicContact CD2-CG2 4.25Å; F140-I148 HydrophobicContact CE1-CG2 3.79Å; F140-I148 HydrophobicContact CE2-CG2 3.79Å; F140-I148 HydrophobicContact CG-CD1 4.49Å; F140-I148 HydrophobicContact CG-CG2 4.45Å; F140-I148 HydrophobicContact CZ-CG2 3.55Å; D144-I148 WeakPolarHBondContact O-CD1 3.33Å; D144-I148 VanDerWaalsContact O-CG1 3.23Å; D144-I148 WeakPolarHBondContact O-CG1 3.24Å; D144-I148 PolarHBondContact O-N 3.06Å; I148-S150 PolarHBondContact O-N 3.22Å; I148-K151 PolarHBondContact O-N 3.26Å; I148-L152 HydrophobicContact CG2-CD1 4.1Å; I148-L152 HydrophobicContact CG2-CG 4.37Å; I148-L152 WeakPolarHBondContact O-CG 3.19Å; I148-L152 PolarHBondContact O-N 2.98Å; I148-L182 HydrophobicContact CB-CD1 4.1Å; I148-L182 HydrophobicContact CD1-CD1 4.36Å; I148-L182 HydrophobicContact CG2-CD1 3.81Å; I148-L182 HydrophobicContact CG2-CD2 4.26Å; I148-L182 HydrophobicContact CG2-CG 4.45Å
149S91Very high87.9Confident0 Ų044.4 Ų44.40%025%0.246CC..Hα-helixtrans-53.4-53.1174.9-174.70000112M145 V147 K151 L152 T153 V208 E211M145-S149 WeakPolarHBondContact O-CB 3.49Å; M145-S149 PolarHBondContact O-N 2.91Å; V147-S149 PolarHBondContact O-N 3.39Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.17Å; S149-L152 PolarHBondContact O-N 3.45Å; S149-L152 VanDerWaalsContact O-N 3.08Å; S149-T153 PolarHBondContact O-N 3.04Å; S149-T153 PolarHBondContact O-OG1 3.34Å; S149-T153 VanDerWaalsContact O-OG1 3.1Å; S149-V208 PolarHBondContact OG-O 3.39Å; S149-E211 WeakPolarHBondContact OG-CB 3.44Å; S149-E211 PolarHBondContact OG-OE2 3.41Å
150S89.8Confident87.6Confident67 Ų6746.6 Ų46.647%0.46927%0.266SS..Hα-helixtrans-57.3-37-177.873.10000112.8A146 V147 I148 A154A146-S150 PolarHBondContact O-N 3.45Å; V147-S150 PolarHBondContact O-N 2.94Å; V147-S150 PolarHBondContact O-OG 2.84Å; I148-S150 PolarHBondContact O-N 3.22Å; S150-A154 PolarHBondContact O-N 2.98Å
151K88.9Confident87.2Confident34 Ų3451.3 Ų51.315%0.14829%0.289CS..Hα-helixtrans-74.3-39.1179.2-157.3162.8-171.8160.40112.1L132 D135 I136 T139 V147 I148 S149 A154 M155L132-K151 HydrophobicContact CD2-CD 4.49Å; L132-K151 HydrophobicContact CD2-CG 3.83Å; D135-K151 IonicContact OD2-NZ 2.8Å; I136-K151 HydrophobicContact CD1-CB 3.99Å; I136-K151 HydrophobicContact CD1-CD 4.03Å; I136-K151 HydrophobicContact CD1-CG 3.9Å; T139-K151 HydrophobicContact CG2-CD 3.63Å; V147-K151 PolarHBondContact O-N 3.45Å; I148-K151 PolarHBondContact O-N 3.26Å; S149-K151 PolarHBondContact O-N 3.33Å; S149-K151 VanDerWaalsContact O-N 3.17Å; K151-A154 PolarHBondContact O-N 3.42Å; K151-M155 WeakPolarHBondContact O-CG 3.5Å; K151-M155 PolarHBondContact O-N 3.16Å
152L89.9Confident86.9Confident0 Ų043.9 Ų43.90%026%0.257CS..Hα-helixtrans-64.4-39.1172.8-68.3176.7000112I136 F140 I148 S149 M155 Q156 L175 L178 K179 L182 I212I136-L152 HydrophobicContact CD1-CD2 3.93Å; I136-L152 HydrophobicContact CD1-CG 4.35Å; I136-L152 HydrophobicContact CG1-CD2 4.36Å; F140-L152 HydrophobicContact CZ-CD1 4.48Å; I148-L152 HydrophobicContact CG2-CD1 4.1Å; I148-L152 HydrophobicContact CG2-CG 4.37Å; I148-L152 WeakPolarHBondContact O-CG 3.19Å; I148-L152 PolarHBondContact O-N 2.98Å; S149-L152 PolarHBondContact O-N 3.45Å; S149-L152 VanDerWaalsContact O-N 3.08Å; L152-M155 WeakPolarHBondContact O-CB 3.37Å; L152-M155 PolarHBondContact O-N 3.25Å; L152-Q156 WeakPolarHBondContact O-CG 3.45Å; L152-Q156 PolarHBondContact O-N 3.26Å; L152-L175 HydrophobicContact CD2-CD1 4.37Å; L152-L178 HydrophobicContact CD2-CB 3.69Å; L152-L178 HydrophobicContact CD2-CD1 4.24Å; L152-K179 HydrophobicContact CD1-CG 4.42Å; L152-L182 HydrophobicContact CD1-CB 4.14Å; L152-L182 HydrophobicContact CD1-CD2 3.64Å; L152-I212 HydrophobicContact CB-CG2 4.23Å; L152-I212 HydrophobicContact CD1-CG2 4.28Å
153T89.5Confident86.6Confident30 Ų3043.4 Ų43.418%0.18425%0.254CS..Hα-helixtrans-66.3-39.5175-52.60000111.6S149 M155 Q156 N157 E211S149-T153 PolarHBondContact O-N 3.04Å; S149-T153 PolarHBondContact O-OG1 3.34Å; S149-T153 VanDerWaalsContact O-OG1 3.1Å; T153-M155 VanDerWaalsContact C-N 3.31Å; T153-M155 PolarHBondContact O-N 3.41Å; T153-Q156 WeakPolarHBondContact O-CB 3.43Å; T153-Q156 PolarHBondContact O-N 3.16Å; T153-N157 VanDerWaalsContact O-CG 3.27Å; T153-N157 PolarHBondContact O-N 3.44Å; T153-N157 PolarHBondContact O-ND2 2.95Å; T153-E211 PolarHBondContact OG1-O 3.46Å; T153-E211 VanDerWaalsContact OG1-O 3.07Å
154A88.7Confident86.2Confident35 Ų3544.5 Ų44.529%0.28926%0.264SS..Hα-helixtrans-61-41.4172.600000111.8L132 S150 K151 N157 S158L132-A154 HydrophobicContact CD1-CB 3.89Å; L132-A154 HydrophobicContact CD2-CB 4.32Å; S150-A154 PolarHBondContact O-N 2.98Å; K151-A154 PolarHBondContact O-N 3.42Å; A154-N157 PolarHBondContact O-N 3.47Å; A154-S158 PolarHBondContact O-N 3Å; A154-S158 PolarHBondContact O-OG 2.74Å
155M88.8Confident85.8Confident0 Ų042.6 Ų42.60%026%0.256CS..Hα-helixtrans-62.6-43.8173-71.6-179.478.600111.6W129 L132 I136 K151 L152 T153 N157 S158 L159 L175 L178W129-M155 HydrophobicContact CD2-CE 4.39Å; W129-M155 HydrophobicContact CE3-CB 4.05Å; W129-M155 HydrophobicContact CE3-CE 4.26Å; W129-M155 HydrophobicContact CE3-CG 4.45Å; W129-M155 HydrophobicContact CH2-CB 4.43Å; W129-M155 HydrophobicContact CH2-CE 3.7Å; W129-M155 HydrophobicContact CZ2-CE 3.83Å; W129-M155 HydrophobicContact CZ3-CB 3.65Å; W129-M155 HydrophobicContact CZ3-CE 3.93Å; W129-M155 HydrophobicContact CZ3-CG 4.34Å; W129-M155 VanDerWaalsContact CZ3-O 3.24Å; W129-M155 WeakPolarHBondContact CZ3-O 3.44Å; L132-M155 HydrophobicContact CB-CG 3.55Å; L132-M155 HydrophobicContact CB-SD 4.2Å; L132-M155 HydrophobicContact CD1-CG 3.92Å; L132-M155 HydrophobicContact CG-CG 4.3Å; I136-M155 HydrophobicContact CB-SD 4.3Å; I136-M155 HydrophobicContact CD1-SD 4.12Å; I136-M155 HydrophobicContact CG1-SD 4.17Å; K151-M155 WeakPolarHBondContact O-CG 3.5Å; K151-M155 PolarHBondContact O-N 3.16Å; L152-M155 WeakPolarHBondContact O-CB 3.37Å; L152-M155 PolarHBondContact O-N 3.25Å; T153-M155 VanDerWaalsContact C-N 3.31Å; T153-M155 PolarHBondContact O-N 3.41Å; M155-N157 PolarHBondContact O-N 3.33Å; M155-S158 PolarHBondContact O-N 3.25Å; M155-L159 WeakPolarHBondContact O-CB 3.36Å; M155-L159 PolarHBondContact O-N 2.73Å; M155-L175 HydrophobicContact CB-CD1 3.8Å; M155-L178 HydrophobicContact CE-CD1 4.01Å; M155-L178 HydrophobicContact SD-CD1 4.29Å
156Q88.9Confident85.2Confident35 Ų3547.7 Ų47.716%0.16429%0.289CS..Hα-helixtrans-57.7-45.9174.9-76.7172.8-89.200112.6L152 T153 L159 A160 L175 E211L152-Q156 WeakPolarHBondContact O-CG 3.45Å; L152-Q156 PolarHBondContact O-N 3.26Å; T153-Q156 WeakPolarHBondContact O-CB 3.43Å; T153-Q156 PolarHBondContact O-N 3.16Å; Q156-L159 PolarHBondContact O-N 2.99Å; Q156-A160 PolarHBondContact O-N 2.9Å; Q156-L175 HydrophobicContact CB-CD2 4.34Å; Q156-L175 HydrophobicContact CG-CD1 4.35Å; Q156-L175 HydrophobicContact CG-CD2 3.6Å; Q156-L175 HydrophobicContact CG-CG 4.27Å; Q156-E211 PolarHBondContact OE1-O 3.06Å
157N87Confident84.9Confident103 Ų10349.7 Ų49.755%0.55129%0.294SS*.Hα-helixtrans-65.7-40.8179.5-66.7-18.3000111.6T153 A154 M155 L159 A160T153-N157 VanDerWaalsContact O-CG 3.27Å; T153-N157 PolarHBondContact O-N 3.44Å; T153-N157 PolarHBondContact O-ND2 2.95Å; A154-N157 PolarHBondContact O-N 3.47Å; M155-N157 PolarHBondContact O-N 3.33Å; N157-L159 VanDerWaalsContact C-N 3.32Å; N157-L159 PolarHBondContact O-N 3.37Å; N157-A160 PolarHBondContact O-N 3.47Å
158S87.1Confident84.7Confident5 Ų549.9 Ų49.94%0.03529%0.288CS..Hα-helixtrans-63.4-41.8175.9-500000110.6E125 A154 M155 A160 M161 L162E125-S158 WeakPolarHBondContact OE2-CA 3.5Å; E125-S158 PolarHBondContact OE2-OG 2.98Å; A154-S158 PolarHBondContact O-N 3Å; A154-S158 PolarHBondContact O-OG 2.74Å; M155-S158 PolarHBondContact O-N 3.25Å; S158-A160 PolarHBondContact O-N 3.4Å; S158-M161 PolarHBondContact O-N 3.08Å; S158-L162 WeakPolarHBondContact O-CD1 3.37Å; S158-L162 VanDerWaalsContact O-CG 3.31Å; S158-L162 WeakPolarHBondContact O-CG 3.38Å
159L84.6Confident84.4Confident13 Ų1353.6 Ų53.67%0.06831%0.314CS..Hα-helixtrans-66.8-35.1180-169123.3000112.8W129 M155 Q156 N157 M161 L162 Y168 K171 L175W129-L159 HydrophobicContact CE3-CB 4.07Å; W129-L159 HydrophobicContact CE3-CD1 4.18Å; W129-L159 HydrophobicContact CH2-CD1 3.46Å; W129-L159 VanDerWaalsContact CH2-CD1 3.46Å; W129-L159 HydrophobicContact CZ2-CD1 4.09Å; W129-L159 HydrophobicContact CZ3-CB 3.73Å; W129-L159 HydrophobicContact CZ3-CD1 3.51Å; W129-L159 HydrophobicContact CZ3-CG 4.25Å; M155-L159 WeakPolarHBondContact O-CB 3.36Å; M155-L159 PolarHBondContact O-N 2.73Å; Q156-L159 PolarHBondContact O-N 2.99Å; N157-L159 VanDerWaalsContact C-N 3.32Å; N157-L159 PolarHBondContact O-N 3.37Å; L159-M161 PolarHBondContact O-N 3.39Å; L159-L162 PolarHBondContact O-N 3.07Å; L159-Y168 HydrophobicContact CD2-CD2 4.44Å; L159-Y168 HydrophobicContact CD2-CE2 3.58Å; L159-Y168 HydrophobicContact CG-CD2 4.3Å; L159-Y168 HydrophobicContact CG-CE2 3.81Å; L159-Y168 WeakPolarHBondContact O-CE2 3.32Å; L159-K171 HydrophobicContact CD1-CB 3.47Å; L159-K171 VanDerWaalsContact CD1-CB 3.47Å; L159-L175 HydrophobicContact CD1-CD2 4.4Å; L159-L175 HydrophobicContact CD2-CD2 4.37Å
160A82.5Confident84.2Confident65 Ų6560 Ų6054%0.53734%0.344SS..Hα-helixtrans-60.4-25.1176.800000113.4Q156 N157 S158 V163Q156-A160 PolarHBondContact O-N 2.9Å; N157-A160 PolarHBondContact O-N 3.47Å; S158-A160 PolarHBondContact O-N 3.4Å; A160-V163 WeakPolarHBondContact O-CG2 3.47Å
161M80Confident84Confident106 Ų10658.8 Ų58.852%0.52233%0.33SS..THydrogen-bonded Turntrans-89.7-5.6176.3-64.9-64.6-68.600113.4E125 S158 L159E125-M161 HydrophobicContact CB-CB 4.18Å; E125-M161 HydrophobicContact CG-CB 3.91Å; E125-M161 HydrophobicContact CG-CG 4.14Å; S158-M161 PolarHBondContact O-N 3.08Å; L159-M161 PolarHBondContact O-N 3.39Å
162L81.6Confident83.9Confident4 Ų459.1 Ų59.12%0.02134%0.336CS..  trans-109.819.3-172.6-65.2172.3000113.8A122 E125 A126 W129 S158 L159 D164 T165 Y168A122-L162 WeakPolarHBondContact O-CD2 3.49Å; E125-L162 HydrophobicContact CB-CD2 4.48Å; E125-L162 HydrophobicContact CB-CG 4.47Å; A126-L162 HydrophobicContact CB-CD2 3.86Å; W129-L162 HydrophobicContact CB-CD1 4.1Å; W129-L162 HydrophobicContact CG-CD1 4.48Å; S158-L162 WeakPolarHBondContact O-CD1 3.37Å; S158-L162 VanDerWaalsContact O-CG 3.31Å; S158-L162 WeakPolarHBondContact O-CG 3.38Å; L159-L162 PolarHBondContact O-N 3.07Å; L162-D164 PolarHBondContact O-N 3.08Å; L162-T165 HydrophobicContact CB-CG2 4.32Å; L162-T165 HydrophobicContact CD2-CG2 4.14Å; L162-T165 WeakPolarHBondContact O-CB 3.43Å; L162-T165 PolarHBondContact O-N 3.1Å; L162-T165 VanDerWaalsContact O-N 3.08Å; L162-T165 PolarHBondContact O-OG1 2.89Å; L162-Y168 WeakPolarHBondContact O-CD2 3.38Å
163V78.3Confident83.9Confident76 Ų7664 Ų6446%0.46137%0.366SS..THydrogen-bonded Turntrans-56.4-35.5-175.3179.60000112.7A160 T165 Y168A160-V163 WeakPolarHBondContact O-CG2 3.47Å; V163-T165 VanDerWaalsContact C-N 3.25Å; V163-T165 PolarHBondContact O-N 3.17Å; V163-Y168 HydrophobicContact CB-CE2 4.37Å; V163-Y168 HydrophobicContact CG2-CE2 3.96Å
164D75.3Confident83.9Confident162 Ų16266 Ų6687%0.86637%0.373SS*.THydrogen-bonded Turntrans-83.46.9-177.2-62-38.9000113.9L162L162-D164 PolarHBondContact O-N 3.08Å
165T77.3Confident83.9Confident40 Ų4064.9 Ų64.925%0.24536%0.362CS..SBendtrans-83.9140.4177.159.60000112L162 V163 D167 Y168L162-T165 HydrophobicContact CB-CG2 4.32Å; L162-T165 HydrophobicContact CD2-CG2 4.14Å; L162-T165 WeakPolarHBondContact O-CB 3.43Å; L162-T165 PolarHBondContact O-N 3.1Å; L162-T165 VanDerWaalsContact O-N 3.08Å; L162-T165 PolarHBondContact O-OG1 2.89Å; V163-T165 VanDerWaalsContact C-N 3.25Å; V163-T165 PolarHBondContact O-N 3.17Å; T165-D167 PolarHBondContact O-N 3.01Å; T165-Y168 WeakPolarHBondContact O-CB 3.48Å; T165-Y168 PolarHBondContact O-N 2.74Å; T165-Y168 VanDerWaalsContact O-N 3.08Å
166P74.4Confident84Confident118 Ų11868.8 Ų68.877%0.76638%0.38SS*.THydrogen-bonded Turntrans-60.9-30.8-177.123.3-33.3000113.1Y168P166-Y168 VanDerWaalsContact C-N 3.32Å; P166-Y168 PolarHBondContact O-N 3.46Å
167D82.1Confident84.1Confident87 Ų8769.6 Ų69.647%0.46539%0.393SS..THydrogen-bonded Turntrans-92.111.4-178.6-48.5-27.4000112.8T165 S169 E170 K171T165-D167 PolarHBondContact O-N 3.01Å; D167-S169 VanDerWaalsContact C-N 3.27Å; D167-S169 PolarHBondContact O-N 3.25Å; D167-E170 PolarHBondContact O-N 3.24Å; D167-E170 VanDerWaalsContact O-N 3.1Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.49Å; D167-K171 VanDerWaalsContact O-N 3.11Å
168Y83.3Confident84.3Confident68 Ų6865 Ų6527%0.26737%0.369SS..Hα-helixtrans-55.3-41.8-176.5176.5-104.7000112.4L159 L162 V163 T165 P166 E170 K171 C172L159-Y168 HydrophobicContact CD2-CD2 4.44Å; L159-Y168 HydrophobicContact CD2-CE2 3.58Å; L159-Y168 HydrophobicContact CG-CD2 4.3Å; L159-Y168 HydrophobicContact CG-CE2 3.81Å; L159-Y168 WeakPolarHBondContact O-CE2 3.32Å; L162-Y168 WeakPolarHBondContact O-CD2 3.38Å; V163-Y168 HydrophobicContact CB-CE2 4.37Å; V163-Y168 HydrophobicContact CG2-CE2 3.96Å; T165-Y168 WeakPolarHBondContact O-CB 3.48Å; T165-Y168 PolarHBondContact O-N 2.74Å; T165-Y168 VanDerWaalsContact O-N 3.08Å; P166-Y168 VanDerWaalsContact C-N 3.32Å; P166-Y168 PolarHBondContact O-N 3.46Å; Y168-E170 VanDerWaalsContact C-N 3.32Å; Y168-E170 PolarHBondContact O-N 3.37Å; Y168-K171 PolarHBondContact O-N 2.84Å; Y168-C172 VanDerWaalsContact CE1-SG 3.53Å; Y168-C172 VanDerWaalsContact CZ-SG 3.52Å; Y168-C172 PolarHBondContact O-N 2.7Å; Y168-C172 PolarHBondContact O-SG 3.14Å
169S83.8Confident84.5Confident77 Ų7765.5 Ų65.554%0.53837%0.37SS..Hα-helixtrans-61.2-39.3178.454.60000112.8D167 C172 V173D167-S169 VanDerWaalsContact C-N 3.27Å; D167-S169 PolarHBondContact O-N 3.25Å; S169-C172 WeakPolarHBondContact O-CB 3.45Å; S169-C172 PolarHBondContact O-N 3.13Å; S169-V173 WeakPolarHBondContact O-CG2 3.45Å; S169-V173 PolarHBondContact O-N 2.91Å; S169-V173 VanDerWaalsContact O-N 3.16Å
170E86.2Confident84.9Confident135 Ų13568.9 Ų68.963%0.63139%0.388SS*.Hα-helixtrans-69.9-40.5178.9-61.6-172.6171.400111.1D167 Y168 C172 V173 H174D167-E170 PolarHBondContact O-N 3.24Å; D167-E170 VanDerWaalsContact O-N 3.1Å; Y168-E170 VanDerWaalsContact C-N 3.32Å; Y168-E170 PolarHBondContact O-N 3.37Å; E170-C172 PolarHBondContact O-N 3.11Å; E170-V173 PolarHBondContact O-N 3.4Å; E170-H174 PolarHBondContact O-N 3.05Å
171K85.5Confident85.4Confident41 Ų4170.9 Ų70.918%0.17838%0.382CS..Hα-helixtrans-63.7-39.1175.8-65.2177.1-176.9170.80112.2W129 L159 D167 Y168 H174 L175W129-K171 HydrophobicContact CH2-CB 4.3Å; W129-K171 HydrophobicContact CZ2-CB 3.73Å; W129-K171 HydrophobicContact CZ2-CG 4.1Å; L159-K171 HydrophobicContact CD1-CB 3.47Å; L159-K171 VanDerWaalsContact CD1-CB 3.47Å; D167-K171 WeakPolarHBondContact O-CG 3.36Å; D167-K171 PolarHBondContact O-N 3.49Å; D167-K171 VanDerWaalsContact O-N 3.11Å; Y168-K171 PolarHBondContact O-N 2.84Å; K171-H174 PolarHBondContact O-N 2.97Å; K171-L175 WeakPolarHBondContact O-CB 3.45Å; K171-L175 PolarHBondContact O-N 3.4Å
172C87.4Confident85.9Confident41 Ų4165.9 Ų65.928%0.27736%0.357SS..Hα-helixtrans-58.7-49172.2-72.60000111.7Y168 S169 E170 H174 L175 E176Y168-C172 VanDerWaalsContact CE1-SG 3.53Å; Y168-C172 VanDerWaalsContact CZ-SG 3.52Å; Y168-C172 PolarHBondContact O-N 2.7Å; Y168-C172 PolarHBondContact O-SG 3.14Å; S169-C172 WeakPolarHBondContact O-CB 3.45Å; S169-C172 PolarHBondContact O-N 3.13Å; E170-C172 PolarHBondContact O-N 3.11Å; C172-H174 VanDerWaalsContact C-N 3.31Å; C172-H174 PolarHBondContact O-N 2.64Å; C172-L175 PolarHBondContact O-N 2.94Å; C172-E176 WeakPolarHBondContact O-CB 3.4Å; C172-E176 PolarHBondContact O-N 3.4Å
173V89.9Confident86.4Confident102 Ų10267 Ų6762%0.61836%0.362SS*.Hα-helixtrans-61.9-41.5178.71720000110.9S169 E170 E176 A177S169-V173 WeakPolarHBondContact O-CG2 3.45Å; S169-V173 PolarHBondContact O-N 2.91Å; S169-V173 VanDerWaalsContact O-N 3.16Å; E170-V173 PolarHBondContact O-N 3.4Å; V173-E176 PolarHBondContact O-N 2.98Å; V173-A177 WeakPolarHBondContact O-CB 3.27Å; V173-A177 PolarHBondContact O-N 2.75Å
174H88.7Confident87Confident74 Ų7466.5 Ų66.534%0.34337%0.366SS..Hα-helixtrans-62.8-46.1177.3-171.863.2000112.1E170 K171 C172 E176 A177 L178E170-H174 PolarHBondContact O-N 3.05Å; K171-H174 PolarHBondContact O-N 2.97Å; C172-H174 VanDerWaalsContact C-N 3.31Å; C172-H174 PolarHBondContact O-N 2.64Å; H174-E176 VanDerWaalsContact C-N 3.3Å; H174-E176 PolarHBondContact O-N 3.37Å; H174-A177 WeakPolarHBondContact O-CB 3.42Å; H174-A177 PolarHBondContact O-N 2.94Å; H174-L178 WeakPolarHBondContact O-CG 3.36Å; H174-L178 PolarHBondContact O-N 3.24Å
175L89.1Confident87.7Confident10 Ų1062 Ų625%0.05234%0.342CS..Hα-helixtrans-58.6-44176.1-167.754.6000111.9W129 L152 M155 Q156 L159 K171 C172 A177 L178 K179W129-L175 HydrophobicContact CH2-CB 4.07Å; W129-L175 HydrophobicContact CH2-CD1 4.24Å; W129-L175 HydrophobicContact CH2-CD2 4.39Å; W129-L175 HydrophobicContact CH2-CG 4.47Å; W129-L175 HydrophobicContact CZ3-CD1 4.37Å; W129-L175 HydrophobicContact CZ3-CD2 4.35Å; L152-L175 HydrophobicContact CD2-CD1 4.37Å; M155-L175 HydrophobicContact CB-CD1 3.8Å; Q156-L175 HydrophobicContact CB-CD2 4.34Å; Q156-L175 HydrophobicContact CG-CD1 4.35Å; Q156-L175 HydrophobicContact CG-CD2 3.6Å; Q156-L175 HydrophobicContact CG-CG 4.27Å; L159-L175 HydrophobicContact CD1-CD2 4.4Å; L159-L175 HydrophobicContact CD2-CD2 4.37Å; K171-L175 WeakPolarHBondContact O-CB 3.45Å; K171-L175 PolarHBondContact O-N 3.4Å; C172-L175 PolarHBondContact O-N 2.94Å; L175-A177 VanDerWaalsContact C-N 3.34Å; L175-L178 PolarHBondContact O-N 3.09Å; L175-K179 WeakPolarHBondContact O-CG 3.24Å; L175-K179 PolarHBondContact O-N 2.9Å
176E90.4Very high88.4Confident82 Ų8260.1 Ų60.138%0.38333%0.331SS..Hα-helixtrans-67-37.1-179.8-16462.3-165.600111.7C172 V173 H174 K179 N180 R214C172-E176 WeakPolarHBondContact O-CB 3.4Å; C172-E176 PolarHBondContact O-N 3.4Å; V173-E176 PolarHBondContact O-N 2.98Å; H174-E176 VanDerWaalsContact C-N 3.3Å; H174-E176 PolarHBondContact O-N 3.37Å; E176-K179 PolarHBondContact O-N 3.39Å; E176-N180 WeakPolarHBondContact O-CB 3.5Å; E176-N180 VanDerWaalsContact O-CG 3.26Å; E176-N180 PolarHBondContact O-N 3.34Å; E176-N180 PolarHBondContact O-ND2 2.9Å; E176-N180 VanDerWaalsContact O-ND2 3.14Å; E176-R214 PolarHBondContact O-NH2 2.79Å; E176-R214 IonicContact OE1-CZ 3.33Å; E176-R214 IonicContact OE1-NE 3.56Å; E176-R214 IonicContact OE1-NH2 3.64Å; E176-R214 PolarHBondContact OE1-NH2 3.37Å; E176-R214 IonicContact OE2-NH2 2.76Å
177A91.8Very high89.3Confident52 Ų5255.5 Ų55.543%0.4330%0.301SS..Hα-helixtrans-63-41.1172.400000112.1V173 H174 L175 N180 R181V173-A177 WeakPolarHBondContact O-CB 3.27Å; V173-A177 PolarHBondContact O-N 2.75Å; H174-A177 WeakPolarHBondContact O-CB 3.42Å; H174-A177 PolarHBondContact O-N 2.94Å; L175-A177 VanDerWaalsContact C-N 3.34Å; A177-N180 WeakPolarHBondContact O-CB 3.35Å; A177-N180 PolarHBondContact O-N 3.29Å; A177-R181 PolarHBondContact O-N 2.8Å
178L91.3Very high89.8Confident7 Ų755.7 Ų55.74%0.03731%0.307CS..Hα-helixtrans-66.3-41.8176-67.3168.2000111.9I136 F140 L152 M155 H174 L175 R181 L182I136-L178 HydrophobicContact CG1-CD1 4.09Å; I136-L178 HydrophobicContact CG1-CD2 4.25Å; I136-L178 HydrophobicContact CG2-CD1 4.14Å; I136-L178 HydrophobicContact CG2-CD2 4.18Å; F140-L178 HydrophobicContact CD2-CD2 4.49Å; F140-L178 HydrophobicContact CE2-CB 4.41Å; F140-L178 HydrophobicContact CE2-CD2 3.9Å; F140-L178 WeakPolarHBondContact CZ-O 2.94Å; L152-L178 HydrophobicContact CD2-CB 3.69Å; L152-L178 HydrophobicContact CD2-CD1 4.24Å; M155-L178 HydrophobicContact CE-CD1 4.01Å; M155-L178 HydrophobicContact SD-CD1 4.29Å; H174-L178 WeakPolarHBondContact O-CG 3.36Å; H174-L178 PolarHBondContact O-N 3.24Å; L175-L178 PolarHBondContact O-N 3.09Å; L178-R181 WeakPolarHBondContact O-CB 3.43Å; L178-R181 PolarHBondContact O-N 3.2Å; L178-L182 PolarHBondContact O-N 2.74Å
179K91.8Very high90.2Very high15 Ų1557.2 Ų57.27%0.06532%0.316CS..Hα-helixtrans-61.4-43.6173-69.8-179.7-179.7-170.60112.2L152 L175 E176 R181 L182 E183 I212L152-K179 HydrophobicContact CD1-CG 4.42Å; L175-K179 WeakPolarHBondContact O-CG 3.24Å; L175-K179 PolarHBondContact O-N 2.9Å; E176-K179 PolarHBondContact O-N 3.39Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 2.65Å; K179-L182 PolarHBondContact O-N 2.98Å; K179-E183 PolarHBondContact O-N 2.84Å; K179-I212 VanDerWaalsContact CE-O 3.27Å; K179-I212 WeakPolarHBondContact CE-O 3.49Å; K179-I212 PolarHBondContact NZ-O 3.01Å
180N92.9Very high90.6Very high84 Ų8453.5 Ų53.545%0.44929%0.291SS..Hα-helixtrans-58.4-40.2173.9-76.1-33.4000112E176 A177 E183 A184 R214E176-N180 WeakPolarHBondContact O-CB 3.5Å; E176-N180 VanDerWaalsContact O-CG 3.26Å; E176-N180 PolarHBondContact O-N 3.34Å; E176-N180 PolarHBondContact O-ND2 2.9Å; E176-N180 VanDerWaalsContact O-ND2 3.14Å; A177-N180 WeakPolarHBondContact O-CB 3.35Å; A177-N180 PolarHBondContact O-N 3.29Å; N180-E183 PolarHBondContact O-N 3.4Å; N180-A184 WeakPolarHBondContact O-CB 3.45Å; N180-A184 PolarHBondContact O-N 2.98Å; N180-R214 PolarHBondContact OD1-NH1 3.12Å; N180-R214 PolarHBondContact OD1-NH2 3.41Å
181R91.9Very high91Very high108 Ų10849.5 Ų49.541%0.40828%0.275SS..Hα-helixtrans-66.3-42177.1-172176.2176.5-171.2-6.4111.9E137 F140 A177 L178 K179 A184 L185E137-R181 IonicContact OE1-NH1 2.66Å; E137-R181 PolarHBondContact OE1-NH1 3.26Å; E137-R181 IonicContact OE2-CZ 2.68Å; E137-R181 IonicContact OE2-NH1 3.59Å; E137-R181 PolarHBondContact OE2-NH1 3.47Å; E137-R181 IonicContact OE2-NH2 3.82Å; E137-R181 PolarHBondContact OE2-NH2 2.77Å; F140-R181 HydrophobicContact CD1-CG 4.38Å; F140-R181 HydrophobicContact CE1-CB 4.26Å; F140-R181 HydrophobicContact CE1-CG 4.05Å; F140-R181 HydrophobicContact CZ-CB 4.48Å; A177-R181 PolarHBondContact O-N 2.8Å; L178-R181 WeakPolarHBondContact O-CB 3.43Å; L178-R181 PolarHBondContact O-N 3.2Å; K179-R181 VanDerWaalsContact C-N 3.28Å; K179-R181 PolarHBondContact O-N 2.65Å; R181-A184 PolarHBondContact O-N 3.26Å; R181-L185 VanDerWaalsContact O-CG 3.32Å; R181-L185 WeakPolarHBondContact O-CG 3.21Å; R181-L185 PolarHBondContact O-N 3.47Å
182L91.1Very high91.3Very high0 Ų050.2 Ų50.20%029%0.289CS..Hα-helixtrans-61.4-45.9173.6178.963.8000111.3F140 M145 I148 L152 L178 K179 A184 L185 A186 V208 I212F140-L182 HydrophobicContact CE1-CB 4.06Å; F140-L182 HydrophobicContact CZ-CB 4.14Å; M145-L182 HydrophobicContact SD-CD1 3.42Å; M145-L182 WeakPolarHBondContact SD-CD1 3.43Å; I148-L182 HydrophobicContact CB-CD1 4.1Å; I148-L182 HydrophobicContact CD1-CD1 4.36Å; I148-L182 HydrophobicContact CG2-CD1 3.81Å; I148-L182 HydrophobicContact CG2-CD2 4.26Å; I148-L182 HydrophobicContact CG2-CG 4.45Å; L152-L182 HydrophobicContact CD1-CB 4.14Å; L152-L182 HydrophobicContact CD1-CD2 3.64Å; L178-L182 PolarHBondContact O-N 2.74Å; K179-L182 PolarHBondContact O-N 2.98Å; L182-A184 PolarHBondContact O-N 3.37Å; L182-L185 PolarHBondContact O-N 3.33Å; L182-A186 WeakPolarHBondContact O-CB 3.23Å; L182-A186 PolarHBondContact O-N 2.93Å; L182-V208 HydrophobicContact CD2-CG1 4.19Å; L182-I212 HydrophobicContact CD2-CD1 4.05Å; L182-I212 HydrophobicContact CD2-CG2 4.2Å
183E92.5Very high91.6Very high28 Ų2848.3 Ų48.313%0.13128%0.276CS..Hα-helixtrans-59.1-46.1176.6-178.9177.6156.800111.5K179 N180 L185 A186 S187 F209 R214 Y221K179-E183 PolarHBondContact O-N 2.84Å; N180-E183 PolarHBondContact O-N 3.4Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 3.45Å; E183-A186 PolarHBondContact O-N 3Å; E183-S187 PolarHBondContact O-N 3.5Å; E183-S187 PolarHBondContact O-OG 2.83Å; E183-F209 HydrophobicContact CB-CE1 4.4Å; E183-F209 HydrophobicContact CB-CZ 4.38Å; E183-F209 HydrophobicContact CG-CE1 4.08Å; E183-F209 HydrophobicContact CG-CZ 4.22Å; E183-R214 IonicContact OE2-CZ 2.64Å; E183-R214 IonicContact OE2-NH1 3.72Å; E183-R214 PolarHBondContact OE2-NH1 3.43Å; E183-Y221 HydrophobicContact CG-CE2 4.31Å
184A90.9Very high91.8Very high65 Ų6543.5 Ų43.554%0.53725%0.247SC..Hα-helixtrans-60.9-39.7177.700000112.7N180 R181 L182N180-A184 WeakPolarHBondContact O-CB 3.45Å; N180-A184 PolarHBondContact O-N 2.98Å; R181-A184 PolarHBondContact O-N 3.26Å; L182-A184 PolarHBondContact O-N 3.37Å
185L89.8Confident92Very high67 Ų6743.7 Ų43.735%0.35125%0.25SS..Hα-helixtrans-67.2-37.8175.1-70.8170.1000112.2F140 M145 R181 L182 E183F140-L185 HydrophobicContact CD1-CD1 3.66Å; F140-L185 HydrophobicContact CE1-CD1 3.94Å; M145-L185 HydrophobicContact CE-CB 3.96Å; R181-L185 VanDerWaalsContact O-CG 3.32Å; R181-L185 WeakPolarHBondContact O-CG 3.21Å; R181-L185 PolarHBondContact O-N 3.47Å; L182-L185 PolarHBondContact O-N 3.33Å; E183-L185 VanDerWaalsContact C-N 3.33Å; E183-L185 PolarHBondContact O-N 3.45Å
186A91.5Very high92.1Very high2 Ų247 Ų472%0.01727%0.274CS..Hα-helixtrans-78.2-24.9-179.200000113.3M145 L182 E183 Q189 I190 F205 F209M145-A186 HydrophobicContact CE-CB 4.2Å; M145-A186 HydrophobicContact SD-CB 4.2Å; L182-A186 WeakPolarHBondContact O-CB 3.23Å; L182-A186 PolarHBondContact O-N 2.93Å; E183-A186 PolarHBondContact O-N 3Å; A186-Q189 PolarHBondContact O-N 3.03Å; A186-I190 HydrophobicContact CB-CD1 3.67Å; A186-I190 HydrophobicContact CB-CG1 4.18Å; A186-I190 VanDerWaalsContact O-CG1 3.3Å; A186-I190 WeakPolarHBondContact O-CG1 3.43Å; A186-I190 PolarHBondContact O-N 3Å; A186-F205 HydrophobicContact CB-CE1 4.12Å; A186-F209 HydrophobicContact CB-CE2 4.2Å; A186-F209 HydrophobicContact CB-CZ 4.31Å
187S92.6Very high92.2Very high20 Ų2045.9 Ų45.914%0.1427%0.27CS..Hα-helixtrans-51.9-47.8-170.8-62.70000115.1E183 Q189 I190 V191 Y221E183-S187 PolarHBondContact O-N 3.5Å; E183-S187 PolarHBondContact O-OG 2.83Å; S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 3.31Å; S187-I190 PolarHBondContact O-N 3.49Å; S187-V191 WeakPolarHBondContact O-CG2 3.42Å; S187-V191 PolarHBondContact O-N 3.3Å; S187-Y221 PolarHBondContact OG-OH 2.96Å
188P92.7Very high92.3Very high92 Ų9245.3 Ų45.360%0.59726%0.262SS*.Hα-helixtrans-65.2-37.1178.4-19.532.9000112.7A192P188-A192 WeakPolarHBondContact O-CB 3.47Å; P188-A192 PolarHBondContact O-N 3.43Å; P188-A192 VanDerWaalsContact O-N 3.08Å
189Q91.8Very high92.4Very high99 Ų9946.4 Ų46.446%0.46327%0.269SS..Hα-helixtrans-70.6-43178.6-61.2-175.45.200110.7A186 S187 V191 A192 T193 F205A186-Q189 PolarHBondContact O-N 3.03Å; S187-Q189 VanDerWaalsContact C-N 3.33Å; S187-Q189 PolarHBondContact O-N 3.31Å; Q189-V191 VanDerWaalsContact C-N 3.34Å; Q189-V191 PolarHBondContact O-N 3.4Å; Q189-A192 PolarHBondContact O-N 3.23Å; Q189-T193 WeakPolarHBondContact O-CB 3.42Å; Q189-T193 PolarHBondContact O-N 3.45Å; Q189-T193 PolarHBondContact O-OG1 2.92Å; Q189-F205 HydrophobicContact CB-CE2 4.33Å; Q189-F205 HydrophobicContact CB-CZ 3.7Å
190I93.4Very high92.4Very high0 Ų051.7 Ų51.70%030%0.298CS..Hα-helixtrans-57.1-47.5175.5-68.6166.5000110.8A186 S187 A192 T193 F194 F205 F209 L218 Y221A186-I190 HydrophobicContact CB-CD1 3.67Å; A186-I190 HydrophobicContact CB-CG1 4.18Å; A186-I190 VanDerWaalsContact O-CG1 3.3Å; A186-I190 WeakPolarHBondContact O-CG1 3.43Å; A186-I190 PolarHBondContact O-N 3Å; S187-I190 PolarHBondContact O-N 3.49Å; I190-A192 PolarHBondContact O-N 3.07Å; I190-T193 PolarHBondContact O-N 2.78Å; I190-F194 HydrophobicContact CG2-CD2 3.61Å; I190-F194 HydrophobicContact CG2-CE2 3.32Å; I190-F194 HydrophobicContact CG2-CZ 4.2Å; I190-F194 WeakPolarHBondContact O-CD2 3.45Å; I190-F194 PolarHBondContact O-N 2.98Å; I190-F205 HydrophobicContact CD1-CD1 4.36Å; I190-F205 HydrophobicContact CG1-CD1 3.8Å; I190-F205 HydrophobicContact CG1-CD2 4.02Å; I190-F205 HydrophobicContact CG1-CE1 3.94Å; I190-F205 HydrophobicContact CG1-CE2 4.15Å; I190-F205 HydrophobicContact CG1-CG 3.86Å; I190-F205 HydrophobicContact CG1-CZ 4.13Å; I190-F209 HydrophobicContact CD1-CE1 4.44Å; I190-F209 HydrophobicContact CD1-CE2 3.59Å; I190-F209 HydrophobicContact CD1-CZ 3.49Å; I190-F209 VanDerWaalsContact CD1-CZ 3.49Å; I190-L218 HydrophobicContact CD1-CD1 3.99Å; I190-L218 HydrophobicContact CG1-CD1 4.19Å; I190-L218 HydrophobicContact CG2-CD1 3.78Å; I190-Y221 HydrophobicContact CG2-CD2 4.39Å; I190-Y221 HydrophobicContact CG2-CG 4.03Å
191V93.9Very high92.3Very high51 Ų5152.5 Ų52.531%0.30930%0.3SS..Hα-helixtrans-61.9-43.9177.9171.10000111.1S187 Q189 N195 Y221S187-V191 WeakPolarHBondContact O-CG2 3.42Å; S187-V191 PolarHBondContact O-N 3.3Å; Q189-V191 VanDerWaalsContact C-N 3.34Å; Q189-V191 PolarHBondContact O-N 3.4Å; V191-N195 WeakPolarHBondContact O-CB 3.32Å; V191-N195 PolarHBondContact O-N 3.39Å; V191-N195 PolarHBondContact O-ND2 2.63Å; V191-Y221 HydrophobicContact CG2-CD1 4.04Å; V191-Y221 HydrophobicContact CG2-CE1 4.48Å
192A92.7Very high92.4Very high56 Ų5647.4 Ų47.446%0.46328%0.28SS..Hα-helixtrans-63.6-41.1176.400000112.2P188 Q189 I190 S196P188-A192 WeakPolarHBondContact O-CB 3.47Å; P188-A192 PolarHBondContact O-N 3.43Å; P188-A192 VanDerWaalsContact O-N 3.08Å; Q189-A192 PolarHBondContact O-N 3.23Å; I190-A192 PolarHBondContact O-N 3.07Å; A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.21Å; A192-S196 PolarHBondContact O-OG 2.92Å
193T93.6Very high92.5Very high1 Ų151.7 Ų51.71%0.00630%0.299CS..Hα-helixtrans-63.9-46.6178.3-630000111.9Q189 I190 S196 M197 S198 Q201 A202 F205Q189-T193 WeakPolarHBondContact O-CB 3.42Å; Q189-T193 PolarHBondContact O-N 3.45Å; Q189-T193 PolarHBondContact O-OG1 2.92Å; I190-T193 PolarHBondContact O-N 2.78Å; T193-S196 PolarHBondContact O-N 2.73Å; T193-S196 PolarHBondContact O-OG 2.69Å; T193-M197 PolarHBondContact O-N 3.42Å; T193-S198 PolarHBondContact O-N 3.19Å; T193-Q201 HydrophobicContact CG2-CB 3.55Å; T193-Q201 PolarHBondContact OG1-OE1 3.24Å; T193-A202 HydrophobicContact CG2-CB 3.99Å; T193-F205 HydrophobicContact CG2-CD2 4.32Å; T193-F205 HydrophobicContact CG2-CE2 4.46Å; T193-F205 WeakPolarHBondContact OG1-CE2 3.46Å
194F93.8Very high92.5Very high0 Ų054.3 Ų54.30%031%0.313CS..Hα-helixtrans-70.9-34.9178.2-66.8-37.8000112.7I190 S196 M197 A202 L218 Y222 C225 H226 W265 F270I190-F194 HydrophobicContact CG2-CD2 3.61Å; I190-F194 HydrophobicContact CG2-CE2 3.32Å; I190-F194 HydrophobicContact CG2-CZ 4.2Å; I190-F194 WeakPolarHBondContact O-CD2 3.45Å; I190-F194 PolarHBondContact O-N 2.98Å; F194-S196 VanDerWaalsContact C-N 3.33Å; F194-S196 PolarHBondContact O-N 3.05Å; F194-M197 PolarHBondContact O-N 3.41Å; F194-A202 HydrophobicContact CE1-CB 4.2Å; F194-L218 HydrophobicContact CE2-CD1 3.86Å; F194-L218 HydrophobicContact CE2-CG 4.37Å; F194-L218 HydrophobicContact CZ-CD1 3.72Å; F194-L218 HydrophobicContact CZ-CG 3.99Å; F194-Y222 HydrophobicContact CD1-CD2 4.11Å; F194-Y222 HydrophobicContact CE1-CD2 4.26Å; F194-Y222 HydrophobicContact CG-CD2 4.38Å; F194-C225 HydrophobicContact CB-CB 4.23Å; F194-H226 PolarHBondContact O-CE1 3.45Å; F194-W265 AromaticContact CD1-CH2 3.87Å; F194-W265 HydrophobicContact CD1-CH2 3.87Å; F194-W265 AromaticContact CE1-CH2 3.93Å; F194-W265 HydrophobicContact CE1-CH2 3.93Å; F194-F270 HydrophobicContact CE1-CZ 4.47Å
195N91.9Very high92.6Very high79 Ų7951.5 Ų51.542%0.42229%0.289SS..Hα-helixtrans-67.5-33173.6-73.4-21.7000113V191V191-N195 WeakPolarHBondContact O-CB 3.32Å; V191-N195 PolarHBondContact O-N 3.39Å; V191-N195 PolarHBondContact O-ND2 2.63Å
196S92.3Very high92.8Very high78 Ų7849.2 Ų49.255%0.54528%0.278SS..Hα-helixtrans-89.7-3.3177.758.90000114A192 T193 F194 S198A192-S196 WeakPolarHBondContact O-CB 3.43Å; A192-S196 PolarHBondContact O-N 3.21Å; A192-S196 PolarHBondContact O-OG 2.92Å; T193-S196 PolarHBondContact O-N 2.73Å; T193-S196 PolarHBondContact O-OG 2.69Å; F194-S196 VanDerWaalsContact C-N 3.33Å; F194-S196 PolarHBondContact O-N 3.05Å; S196-S198 PolarHBondContact O-N 2.81Å
197M91.6Very high92.9Very high59 Ų5955.4 Ų55.429%0.29131%0.305SS..THydrogen-bonded Turntrans55.429.4-178-64.7-71.9-75.700114T193 F194 V199 H226 W265T193-M197 PolarHBondContact O-N 3.42Å; F194-M197 PolarHBondContact O-N 3.41Å; M197-V199 PolarHBondContact O-N 3.44Å; M197-H226 PolarHBondContact SD-CE1 3.48Å; M197-W265 HydrophobicContact CE-CB 3.74Å; M197-W265 VanDerWaalsContact CE-CD1 3.48Å; M197-W265 HydrophobicContact CE-CD2 3.72Å; M197-W265 HydrophobicContact CE-CE3 4.43Å; M197-W265 HydrophobicContact CE-CG 3.35Å; M197-W265 PolarHBondContact O-NE1 3.34Å; M197-W265 HydrophobicContact SD-CD2 4.32Å; M197-W265 HydrophobicContact SD-CG 4.49Å
198S93.8Very high92.9Very high40 Ų4054.7 Ų54.728%0.2830%0.299SS..  trans-72110.7-179.3177.70000111.8T193 S196 A202T193-S198 PolarHBondContact O-N 3.19Å; S196-S198 PolarHBondContact O-N 2.81Å; S198-A202 VanDerWaalsContact O-CB 3.25Å; S198-A202 WeakPolarHBondContact O-CB 3.44Å; S198-A202 PolarHBondContact O-N 3.38Å; S198-A202 VanDerWaalsContact O-N 3.11Å
199V93.3Very high92.9Very high30 Ų3050.3 Ų50.318%0.18227%0.271CS..Hα-helixtrans-66.5-43.4-175177.80000112M197 A202 K203 Q268 V269M197-V199 PolarHBondContact O-N 3.44Å; V199-A202 PolarHBondContact O-N 3.25Å; V199-K203 HydrophobicContact CG1-CD 4.1Å; V199-K203 HydrophobicContact CG1-CG 4.45Å; V199-K203 WeakPolarHBondContact O-CG 3.34Å; V199-K203 PolarHBondContact O-N 2.89Å; V199-Q268 HydrophobicContact CG1-CB 4.14Å; V199-V269 HydrophobicContact CG1-CG2 4.12Å
200D91.8Very high93Very high126 Ų12648.7 Ų48.767%0.67427%0.268SS*.Hα-helixtrans-69.2-42.4-173.3-63.3-36.4000112K203 L204D200-K203 PolarHBondContact O-N 2.96Å; D200-L204 PolarHBondContact O-N 3.19Å
201Q91.9Very high92.8Very high102 Ų10251.8 Ų51.848%0.47728%0.282SS..Hα-helixtrans-67.8-38.7174.1-72.7-174.7-1000111.5T193 K203 L204 F205T193-Q201 HydrophobicContact CG2-CB 3.55Å; T193-Q201 PolarHBondContact OG1-OE1 3.24Å; Q201-K203 PolarHBondContact O-N 3.38Å; Q201-L204 WeakPolarHBondContact O-CB 3.48Å; Q201-L204 PolarHBondContact O-N 2.83Å; Q201-F205 WeakPolarHBondContact O-CD2 3.23Å; Q201-F205 PolarHBondContact O-N 3.45Å
202A93.4Very high92.7Very high0 Ų049.3 Ų49.30%027%0.267CS..Hα-helixtrans-62.7-42.1176.900000111.6T193 F194 S198 V199 L204 F205 V206 W265 V269T193-A202 HydrophobicContact CG2-CB 3.99Å; F194-A202 HydrophobicContact CE1-CB 4.2Å; S198-A202 VanDerWaalsContact O-CB 3.25Å; S198-A202 WeakPolarHBondContact O-CB 3.44Å; S198-A202 PolarHBondContact O-N 3.38Å; S198-A202 VanDerWaalsContact O-N 3.11Å; V199-A202 PolarHBondContact O-N 3.25Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.09Å; A202-F205 PolarHBondContact O-N 3.29Å; A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 2.96Å; A202-W265 HydrophobicContact CB-CH2 3.8Å; A202-W265 HydrophobicContact CB-CZ2 3.73Å; A202-V269 HydrophobicContact CB-CG1 3.83Å; A202-V269 HydrophobicContact CB-CG2 4.14Å
203K94Very high92.5Very high91 Ų9152.8 Ų52.840%0.39628%0.278SS..Hα-helixtrans-59.2-39.8173.7-76.1172178.5168.80112.4V199 D200 Q201 V206 K207 Q268V199-K203 HydrophobicContact CG1-CD 4.1Å; V199-K203 HydrophobicContact CG1-CG 4.45Å; V199-K203 WeakPolarHBondContact O-CG 3.34Å; V199-K203 PolarHBondContact O-N 2.89Å; D200-K203 PolarHBondContact O-N 2.96Å; Q201-K203 PolarHBondContact O-N 3.38Å; K203-V206 PolarHBondContact O-N 2.94Å; K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.43Å; K203-Q268 WeakPolarHBondContact CE-O 3.14Å
204L92.6Very high92.4Very high83 Ų8353 Ų5344%0.43528%0.279SS..Hα-helixtrans-63.1-46.8175.6-176.3139.8000111.3D200 Q201 A202 K207 V208D200-L204 PolarHBondContact O-N 3.19Å; Q201-L204 WeakPolarHBondContact O-CB 3.48Å; Q201-L204 PolarHBondContact O-N 2.83Å; A202-L204 VanDerWaalsContact C-N 3.3Å; A202-L204 PolarHBondContact O-N 3.09Å; L204-K207 PolarHBondContact O-N 3.01Å; L204-V208 HydrophobicContact CD2-CG2 4.4Å; L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 3.32Å
205F93.4Very high92.4Very high5 Ų555.1 Ų55.12%0.02229%0.289CS..Hα-helixtrans-65.2-38.7176.1-69.7-56.6000112.7A186 Q189 I190 T193 Q201 A202 K207 V208 F209 L218A186-F205 HydrophobicContact CB-CE1 4.12Å; Q189-F205 HydrophobicContact CB-CE2 4.33Å; Q189-F205 HydrophobicContact CB-CZ 3.7Å; I190-F205 HydrophobicContact CD1-CD1 4.36Å; I190-F205 HydrophobicContact CG1-CD1 3.8Å; I190-F205 HydrophobicContact CG1-CD2 4.02Å; I190-F205 HydrophobicContact CG1-CE1 3.94Å; I190-F205 HydrophobicContact CG1-CE2 4.15Å; I190-F205 HydrophobicContact CG1-CG 3.86Å; I190-F205 HydrophobicContact CG1-CZ 4.13Å; T193-F205 HydrophobicContact CG2-CD2 4.32Å; T193-F205 HydrophobicContact CG2-CE2 4.46Å; T193-F205 WeakPolarHBondContact OG1-CE2 3.46Å; Q201-F205 WeakPolarHBondContact O-CD2 3.23Å; Q201-F205 PolarHBondContact O-N 3.45Å; A202-F205 PolarHBondContact O-N 3.29Å; F205-K207 VanDerWaalsContact C-N 3.33Å; F205-K207 PolarHBondContact O-N 3.23Å; F205-V208 PolarHBondContact O-N 3.35Å; F205-F209 HydrophobicContact CD1-CE2 4.41Å; F205-F209 WeakPolarHBondContact O-CB 3.23Å; F205-F209 VanDerWaalsContact O-CD2 3.31Å; F205-F209 WeakPolarHBondContact O-CD2 3.43Å; F205-F209 PolarHBondContact O-N 3.13Å; F205-L218 HydrophobicContact CB-CD1 4.09Å; F205-L218 HydrophobicContact CB-CD2 4.34Å
206V93.6Very high92.5Very high20 Ų2055.6 Ų55.612%0.12130%0.297CS..Hα-helixtrans-60.4-44.2174.2170.70000110.9A202 K203 T210 M215 L218 V269 F270A202-V206 WeakPolarHBondContact O-CG2 3.31Å; A202-V206 PolarHBondContact O-N 2.96Å; K203-V206 PolarHBondContact O-N 2.94Å; V206-T210 VanDerWaalsContact O-CB 3.24Å; V206-T210 WeakPolarHBondContact O-CB 3.44Å; V206-T210 PolarHBondContact O-N 2.83Å; V206-T210 PolarHBondContact O-OG1 2.95Å; V206-M215 HydrophobicContact CG1-CE 4.41Å; V206-M215 HydrophobicContact CG1-SD 4.41Å; V206-M215 HydrophobicContact CG2-CE 4.25Å; V206-L218 HydrophobicContact CB-CD2 4.36Å; V206-L218 HydrophobicContact CG2-CD2 3.77Å; V206-V269 HydrophobicContact CG2-CG1 3.58Å; V206-F270 HydrophobicContact CG2-CD1 3.78Å; V206-F270 HydrophobicContact CG2-CE1 3.59Å
207K92.2Very high92.6Very high132 Ų13255 Ų5557%0.57429%0.286SS*.Hα-helixtrans-59.7-53.5176.3-178.1179.5172.6-176.50111K203 L204 F205 F209 T210 E211K203-K207 WeakPolarHBondContact O-CB 3.35Å; K203-K207 PolarHBondContact O-N 3.43Å; L204-K207 PolarHBondContact O-N 3.01Å; F205-K207 VanDerWaalsContact C-N 3.33Å; F205-K207 PolarHBondContact O-N 3.23Å; K207-F209 PolarHBondContact O-N 3.05Å; K207-T210 PolarHBondContact O-N 3.27Å; K207-E211 WeakPolarHBondContact CE-OE1 3.35Å; K207-E211 WeakPolarHBondContact CG-OE1 3.42Å; K207-E211 WeakPolarHBondContact O-CG 3.19Å; K207-E211 PolarHBondContact O-N 3.17Å
208V92.7Very high92.7Very high4 Ų452.2 Ų52.22%0.02427%0.272CS..Hα-helixtrans-58.3-49.2-179.9166.50000111.7S149 L182 L204 F205 T210 E211 I212S149-V208 PolarHBondContact OG-O 3.39Å; L182-V208 HydrophobicContact CD2-CG1 4.19Å; L204-V208 HydrophobicContact CD2-CG2 4.4Å; L204-V208 WeakPolarHBondContact O-CG2 3.4Å; L204-V208 PolarHBondContact O-N 3.32Å; F205-V208 PolarHBondContact O-N 3.35Å; V208-T210 VanDerWaalsContact C-N 3.3Å; V208-T210 PolarHBondContact O-N 3.11Å; V208-E211 PolarHBondContact O-N 3.27Å; V208-I212 WeakPolarHBondContact O-CG1 3.09Å; V208-I212 PolarHBondContact O-N 2.64Å; V208-I212 VanDerWaalsContact O-N 3.08Å
209F94.1Very high92.8Very high0 Ų052 Ų520%027%0.267CS..Hα-helixtrans-72.7-22.2-178-81.7-106.9000113.4E183 A186 I190 F205 K207 I212 D213 R214 M215 L218E183-F209 HydrophobicContact CB-CE1 4.4Å; E183-F209 HydrophobicContact CB-CZ 4.38Å; E183-F209 HydrophobicContact CG-CE1 4.08Å; E183-F209 HydrophobicContact CG-CZ 4.22Å; A186-F209 HydrophobicContact CB-CE2 4.2Å; A186-F209 HydrophobicContact CB-CZ 4.31Å; I190-F209 HydrophobicContact CD1-CE1 4.44Å; I190-F209 HydrophobicContact CD1-CE2 3.59Å; I190-F209 HydrophobicContact CD1-CZ 3.49Å; I190-F209 VanDerWaalsContact CD1-CZ 3.49Å; F205-F209 HydrophobicContact CD1-CE2 4.41Å; F205-F209 WeakPolarHBondContact O-CB 3.23Å; F205-F209 VanDerWaalsContact O-CD2 3.31Å; F205-F209 WeakPolarHBondContact O-CD2 3.43Å; F205-F209 PolarHBondContact O-N 3.13Å; K207-F209 PolarHBondContact O-N 3.05Å; F209-I212 HydrophobicContact CD1-CD1 4.28Å; F209-I212 HydrophobicContact CE1-CD1 4.5Å; F209-I212 HydrophobicContact CG-CD1 4.38Å; F209-D213 PolarHBondContact O-N 2.96Å; F209-R214 HydrophobicContact CD1-CB 3.87Å; F209-R214 WeakPolarHBondContact CD1-O 3.02Å; F209-R214 HydrophobicContact CE1-CB 4.47Å; F209-R214 CarbonylContact O-C 3.42Å; F209-R214 PolarHBondContact O-N 2.93Å; F209-M215 PolarHBondContact O-N 3.2Å; F209-L218 HydrophobicContact CB-CB 4.03Å; F209-L218 HydrophobicContact CB-CD2 4.01Å; F209-L218 HydrophobicContact CD1-CB 3.88Å; F209-L218 HydrophobicContact CD2-CD1 4.34Å; F209-L218 HydrophobicContact CG-CB 3.94Å; F209-L218 HydrophobicContact CG-CD1 4.4Å; F209-L218 HydrophobicContact CG-CD2 4.33Å; F209-L218 HydrophobicContact CG-CG 4.45Å
210T93.1Very high92.9Very high66 Ų6653.2 Ų53.241%0.40528%0.28SS..Hα-helixtrans-72.9-42.9168.8-56.90000110.7V206 K207 V208 I212 D213V206-T210 VanDerWaalsContact O-CB 3.24Å; V206-T210 WeakPolarHBondContact O-CB 3.44Å; V206-T210 PolarHBondContact O-N 2.83Å; V206-T210 PolarHBondContact O-OG1 2.95Å; K207-T210 PolarHBondContact O-N 3.27Å; V208-T210 VanDerWaalsContact C-N 3.3Å; V208-T210 PolarHBondContact O-N 3.11Å; T210-I212 PolarHBondContact O-N 3.21Å; T210-D213 PolarHBondContact O-N 2.96Å
211E89.9Confident93Very high64 Ų6449.7 Ų49.730%0.29926%0.258SS..Hα-helixtrans-64.4-35.8179.9-76.8172.7-176.900113.2S149 T153 Q156 K207 V208 D213S149-E211 WeakPolarHBondContact OG-CB 3.44Å; S149-E211 PolarHBondContact OG-OE2 3.41Å; T153-E211 PolarHBondContact OG1-O 3.46Å; T153-E211 VanDerWaalsContact OG1-O 3.07Å; Q156-E211 PolarHBondContact OE1-O 3.06Å; K207-E211 WeakPolarHBondContact CE-OE1 3.35Å; K207-E211 WeakPolarHBondContact CG-OE1 3.42Å; K207-E211 WeakPolarHBondContact O-CG 3.19Å; K207-E211 PolarHBondContact O-N 3.17Å; V208-E211 PolarHBondContact O-N 3.27Å; E211-D213 VanDerWaalsContact C-N 3.35Å
212I90.8Very high93.2Very high0 Ų044.8 Ų44.80%024%0.235CC..THydrogen-bonded Turntrans-89.84.2177.669.1179000114.1L152 K179 L182 V208 F209 T210 R214L152-I212 HydrophobicContact CB-CG2 4.23Å; L152-I212 HydrophobicContact CD1-CG2 4.28Å; K179-I212 VanDerWaalsContact CE-O 3.27Å; K179-I212 WeakPolarHBondContact CE-O 3.49Å; K179-I212 PolarHBondContact NZ-O 3.01Å; L182-I212 HydrophobicContact CD2-CD1 4.05Å; L182-I212 HydrophobicContact CD2-CG2 4.2Å; V208-I212 WeakPolarHBondContact O-CG1 3.09Å; V208-I212 PolarHBondContact O-N 2.64Å; V208-I212 VanDerWaalsContact O-N 3.08Å; F209-I212 HydrophobicContact CD1-CD1 4.28Å; F209-I212 HydrophobicContact CE1-CD1 4.5Å; F209-I212 HydrophobicContact CG-CD1 4.38Å; T210-I212 PolarHBondContact O-N 3.21Å; I212-R214 HydrophobicContact CD1-CB 4.14Å; I212-R214 HydrophobicContact CD1-CG 4.31Å; I212-R214 HydrophobicContact CG1-CB 3.98Å; I212-R214 HydrophobicContact CG1-CG 4.15Å
213D89.4Confident93.3Very high129 Ų12945.7 Ų45.769%0.6924%0.239SC*.THydrogen-bonded Turntrans58.147.9-177.9-162.529.4000114F209 T210 E211F209-D213 PolarHBondContact O-N 2.96Å; T210-D213 PolarHBondContact O-N 2.96Å; E211-D213 VanDerWaalsContact C-N 3.35Å
214R92.1Very high93.3Very high5 Ų548.7 Ų48.72%0.01925%0.252CS..  trans-131.130.5179.5-69.4-164.4167.8-159.93.5114.2E176 N180 E183 F209 I212 P216 Q217 L218E176-R214 PolarHBondContact O-NH2 2.79Å; E176-R214 IonicContact OE1-CZ 3.33Å; E176-R214 IonicContact OE1-NE 3.56Å; E176-R214 IonicContact OE1-NH2 3.64Å; E176-R214 PolarHBondContact OE1-NH2 3.37Å; E176-R214 IonicContact OE2-NH2 2.76Å; N180-R214 PolarHBondContact OD1-NH1 3.12Å; N180-R214 PolarHBondContact OD1-NH2 3.41Å; E183-R214 IonicContact OE2-CZ 2.64Å; E183-R214 IonicContact OE2-NH1 3.72Å; E183-R214 PolarHBondContact OE2-NH1 3.43Å; F209-R214 HydrophobicContact CD1-CB 3.87Å; F209-R214 WeakPolarHBondContact CD1-O 3.02Å; F209-R214 HydrophobicContact CE1-CB 4.47Å; F209-R214 CarbonylContact O-C 3.42Å; F209-R214 PolarHBondContact O-N 2.93Å; I212-R214 HydrophobicContact CD1-CB 4.14Å; I212-R214 HydrophobicContact CD1-CG 4.31Å; I212-R214 HydrophobicContact CG1-CB 3.98Å; I212-R214 HydrophobicContact CG1-CG 4.15Å; R214-P216 VanDerWaalsContact C-N 3.33Å; R214-Q217 PolarHBondContact O-N 3.01Å; R214-Q217 PolarHBondContact O-OE1 3.15Å; R214-L218 PolarHBondContact O-N 3.01Å
215M93.5Very high93.4Very high44 Ų4445.4 Ų45.422%0.21724%0.236CC..Hα-helixtrans-55.2-39.2178.2-165.763.7-156.700114.2V206 F209 Q217 L218 L219 F270V206-M215 HydrophobicContact CG1-CE 4.41Å; V206-M215 HydrophobicContact CG1-SD 4.41Å; V206-M215 HydrophobicContact CG2-CE 4.25Å; F209-M215 PolarHBondContact O-N 3.2Å; M215-Q217 VanDerWaalsContact C-N 3.3Å; M215-Q217 PolarHBondContact O-N 3.39Å; M215-L218 HydrophobicContact CE-CD2 4.1Å; M215-L218 PolarHBondContact O-N 3.35Å; M215-L218 HydrophobicContact SD-CD2 4.19Å; M215-L219 HydrophobicContact CE-CD2 3.98Å; M215-L219 HydrophobicContact CE-CG 3.95Å; M215-L219 HydrophobicContact CG-CD1 4.5Å; M215-L219 PolarHBondContact O-N 3.25Å; M215-F270 HydrophobicContact CE-CD1 3.38Å; M215-F270 HydrophobicContact CE-CE1 3.39Å
216P93.4Very high93.5Very high90 Ų9045.4 Ų45.458%0.58424%0.236SC*.Hα-helixtrans-59.1-36.4177.8-25.736000114.1R214 L219 A220R214-P216 VanDerWaalsContact C-N 3.33Å; P216-L219 PolarHBondContact O-N 3.28Å; P216-A220 PolarHBondContact O-N 3.35Å
217Q93.8Very high93.5Very high66 Ų6647.3 Ų47.331%0.30824%0.242SC..Hα-helixtrans-68.7-43.4178.7-67.178.7-3.500110.9R214 M215 L219 A220 Y221R214-Q217 PolarHBondContact O-N 3.01Å; R214-Q217 PolarHBondContact O-OE1 3.15Å; M215-Q217 VanDerWaalsContact C-N 3.3Å; M215-Q217 PolarHBondContact O-N 3.39Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 PolarHBondContact O-N 3.39Å; Q217-A220 WeakPolarHBondContact O-CB 3.3Å; Q217-A220 PolarHBondContact O-N 3.34Å; Q217-A220 VanDerWaalsContact O-N 3.11Å; Q217-Y221 VanDerWaalsContact O-CD2 3.23Å; Q217-Y221 WeakPolarHBondContact O-CD2 2.95Å; Q217-Y221 PolarHBondContact O-N 2.8Å; Q217-Y221 VanDerWaalsContact O-N 3.13Å
218L94.6Very high93.6Very high0 Ų042.9 Ų42.90%023%0.234CC..Hα-helixtrans-60.9-43.1175-175.667.4000111.5I190 F194 F205 V206 F209 R214 M215 A220 Y221 Y222I190-L218 HydrophobicContact CD1-CD1 3.99Å; I190-L218 HydrophobicContact CG1-CD1 4.19Å; I190-L218 HydrophobicContact CG2-CD1 3.78Å; F194-L218 HydrophobicContact CE2-CD1 3.86Å; F194-L218 HydrophobicContact CE2-CG 4.37Å; F194-L218 HydrophobicContact CZ-CD1 3.72Å; F194-L218 HydrophobicContact CZ-CG 3.99Å; F205-L218 HydrophobicContact CB-CD1 4.09Å; F205-L218 HydrophobicContact CB-CD2 4.34Å; V206-L218 HydrophobicContact CB-CD2 4.36Å; V206-L218 HydrophobicContact CG2-CD2 3.77Å; F209-L218 HydrophobicContact CB-CB 4.03Å; F209-L218 HydrophobicContact CB-CD2 4.01Å; F209-L218 HydrophobicContact CD1-CB 3.88Å; F209-L218 HydrophobicContact CD2-CD1 4.34Å; F209-L218 HydrophobicContact CG-CB 3.94Å; F209-L218 HydrophobicContact CG-CD1 4.4Å; F209-L218 HydrophobicContact CG-CD2 4.33Å; F209-L218 HydrophobicContact CG-CG 4.45Å; R214-L218 PolarHBondContact O-N 3.01Å; M215-L218 HydrophobicContact CE-CD2 4.1Å; M215-L218 PolarHBondContact O-N 3.35Å; M215-L218 HydrophobicContact SD-CD2 4.19Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 2.92Å; L218-Y221 WeakPolarHBondContact O-CB 3.42Å; L218-Y221 PolarHBondContact O-N 3.33Å; L218-Y222 PolarHBondContact O-N 2.97Å
219L94.9Very high93.7Very high34 Ų3447 Ų4718%0.17825%0.253CS..Hα-helixtrans-61.6-38.1174.1-71.3175.4000111.7M215 P216 Q217 Y221 Y222 Y223 F270 V276M215-L219 HydrophobicContact CE-CD2 3.98Å; M215-L219 HydrophobicContact CE-CG 3.95Å; M215-L219 HydrophobicContact CG-CD1 4.5Å; M215-L219 PolarHBondContact O-N 3.25Å; P216-L219 PolarHBondContact O-N 3.28Å; Q217-L219 VanDerWaalsContact C-N 3.33Å; Q217-L219 PolarHBondContact O-N 3.39Å; L219-Y221 VanDerWaalsContact C-N 3.31Å; L219-Y221 PolarHBondContact O-N 3.06Å; L219-Y222 WeakPolarHBondContact O-CB 2.88Å; L219-Y222 PolarHBondContact O-N 3.33Å; L219-Y223 HydrophobicContact CB-CD2 4.35Å; L219-Y223 HydrophobicContact CB-CE2 3.78Å; L219-Y223 WeakPolarHBondContact O-CD2 3.27Å; L219-Y223 VanDerWaalsContact O-CG 3.29Å; L219-Y223 PolarHBondContact O-N 3.14Å; L219-F270 HydrophobicContact CD2-CD1 4.19Å; L219-F270 HydrophobicContact CD2-CE1 3.84Å; L219-F270 HydrophobicContact CD2-CE2 4.36Å; L219-F270 HydrophobicContact CD2-CZ 3.94Å; L219-V276 HydrophobicContact CD2-CG1 4.24Å; L219-V276 HydrophobicContact CD2-CG2 3.84Å
220A95.1Very high93.8Very high56 Ų5647.5 Ų47.546%0.46326%0.256SS..Hα-helixtrans-61-38.3175.500000112.5P216 Q217 L218 K224P216-A220 PolarHBondContact O-N 3.35Å; Q217-A220 WeakPolarHBondContact O-CB 3.3Å; Q217-A220 PolarHBondContact O-N 3.34Å; Q217-A220 VanDerWaalsContact O-N 3.11Å; L218-A220 VanDerWaalsContact C-N 3.3Å; L218-A220 PolarHBondContact O-N 2.92Å; A220-K224 VanDerWaalsContact O-CB 3.27Å; A220-K224 WeakPolarHBondContact O-CB 3.25Å; A220-K224 PolarHBondContact O-N 3.45Å
221Y94.5Very high94Very high52 Ų5245.2 Ų45.220%0.20424%0.242CC..Hα-helixtrans-64.6-47.2171.9-77.3-71.1000112.4E183 S187 I190 V191 Q217 L218 L219 Y223 K224 C225E183-Y221 HydrophobicContact CG-CE2 4.31Å; S187-Y221 PolarHBondContact OG-OH 2.96Å; I190-Y221 HydrophobicContact CG2-CD2 4.39Å; I190-Y221 HydrophobicContact CG2-CG 4.03Å; V191-Y221 HydrophobicContact CG2-CD1 4.04Å; V191-Y221 HydrophobicContact CG2-CE1 4.48Å; Q217-Y221 VanDerWaalsContact O-CD2 3.23Å; Q217-Y221 WeakPolarHBondContact O-CD2 2.95Å; Q217-Y221 PolarHBondContact O-N 2.8Å; Q217-Y221 VanDerWaalsContact O-N 3.13Å; L218-Y221 WeakPolarHBondContact O-CB 3.42Å; L218-Y221 PolarHBondContact O-N 3.33Å; L219-Y221 VanDerWaalsContact C-N 3.31Å; L219-Y221 PolarHBondContact O-N 3.06Å; Y221-Y223 PolarHBondContact O-N 3.36Å; Y221-K224 PolarHBondContact O-N 3.4Å; Y221-C225 PolarHBondContact O-N 3.18Å
222Y95.4Very high94.3Very high0 Ų044.5 Ų44.50%024%0.244CC..Hα-helixtrans-54.4-51.4175.5170.4-96000111.2F194 L218 L219 K224 C225 H226 Q262 W265 F270 V276 L280F194-Y222 HydrophobicContact CD1-CD2 4.11Å; F194-Y222 HydrophobicContact CE1-CD2 4.26Å; F194-Y222 HydrophobicContact CG-CD2 4.38Å; L218-Y222 PolarHBondContact O-N 2.97Å; L219-Y222 WeakPolarHBondContact O-CB 2.88Å; L219-Y222 PolarHBondContact O-N 3.33Å; Y222-K224 PolarHBondContact O-N 3.2Å; Y222-C225 PolarHBondContact O-N 3.47Å; Y222-H226 AromaticContact CD2-CD2 3.37Å; Y222-H226 WeakPolarHBondContact CD2-CD2 3.41Å; Y222-H226 AromaticContact CD2-NE2 3.57Å; Y222-H226 AromaticContact CE2-CD2 3.14Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.46Å; Y222-H226 AromaticContact CE2-NE2 3.32Å; Y222-H226 VanDerWaalsContact CE2-NE2 3.32Å; Y222-H226 WeakPolarHBondContact CE2-NE2 3.37Å; Y222-H226 AromaticContact CZ-CD2 3.61Å; Y222-H226 PolarHBondContact O-CD2 2.96Å; Y222-H226 VanDerWaalsContact O-CD2 3.26Å; Y222-H226 PolarHBondContact O-N 2.9Å; Y222-Q262 PolarHBondContact OH-OE1 3.47Å; Y222-W265 HydrophobicContact CD2-CZ3 4.07Å; Y222-W265 HydrophobicContact CE2-CE3 4.16Å; Y222-W265 HydrophobicContact CE2-CH2 4.46Å; Y222-W265 AromaticContact CE2-CZ3 3.66Å; Y222-W265 HydrophobicContact CE2-CZ3 3.66Å; Y222-F270 HydrophobicContact CD1-CE2 4.46Å; Y222-F270 HydrophobicContact CD2-CE2 4.03Å; Y222-F270 HydrophobicContact CD2-CZ 4.22Å; Y222-F270 HydrophobicContact CE2-CE2 4.17Å; Y222-F270 HydrophobicContact CG-CE2 4.2Å; Y222-F270 HydrophobicContact CG-CZ 4.21Å; Y222-V276 HydrophobicContact CD1-CG1 3.85Å; Y222-V276 HydrophobicContact CE1-CG1 3.43Å; Y222-V276 VanDerWaalsContact CE1-CG1 3.43Å; Y222-L280 HydrophobicContact CE1-CD2 4.35Å
223Y96.2Very high94.5Very high19 Ų1946.8 Ų46.88%0.07526%0.258CS..Hα-helixtrans-62.1-42.3178.3-61.4-46.1000111.9L219 Y221 C225 K227 V276 V279 L280L219-Y223 HydrophobicContact CB-CD2 4.35Å; L219-Y223 HydrophobicContact CB-CE2 3.78Å; L219-Y223 WeakPolarHBondContact O-CD2 3.27Å; L219-Y223 VanDerWaalsContact O-CG 3.29Å; L219-Y223 PolarHBondContact O-N 3.14Å; Y221-Y223 PolarHBondContact O-N 3.36Å; Y223-C225 VanDerWaalsContact C-N 3.35Å; Y223-C225 PolarHBondContact O-N 3.24Å; Y223-K227 WeakPolarHBondContact O-CA 3.34Å; Y223-K227 WeakPolarHBondContact O-CB 3.46Å; Y223-K227 PolarHBondContact O-N 3.3Å; Y223-V276 HydrophobicContact CE1-CG1 3.99Å; Y223-V276 VanDerWaalsContact CE1-O 3.29Å; Y223-V276 WeakPolarHBondContact CE1-O 3.47Å; Y223-V276 WeakPolarHBondContact OH-CA 3.39Å; Y223-V279 HydrophobicContact CD2-CG1 4.36Å; Y223-V279 HydrophobicContact CE1-CB 4.11Å; Y223-V279 HydrophobicContact CE1-CG1 3.94Å; Y223-V279 HydrophobicContact CE2-CG1 3.74Å; Y223-L280 HydrophobicContact CD1-CB 3.98Å; Y223-L280 HydrophobicContact CD1-CD1 4.24Å; Y223-L280 HydrophobicContact CE1-CB 4.13Å
224K95.1Very high94.9Very high153 Ų15340.7 Ų40.767%0.66523%0.225SC*.Hα-helixtrans-60.4-42.5-179.7-173.1177.1179.8-1800112.3A220 Y221 Y222 G228A220-K224 VanDerWaalsContact O-CB 3.27Å; A220-K224 WeakPolarHBondContact O-CB 3.25Å; A220-K224 PolarHBondContact O-N 3.45Å; Y221-K224 PolarHBondContact O-N 3.4Å; Y222-K224 PolarHBondContact O-N 3.2Å; K224-G228 PolarHBondContact O-N 2.77Å
225C93.9Very high95.1Very high15 Ų1544.2 Ų44.210%0.10124%0.242CC..Hα-helixtrans-65.2-57.6178.2-72.40000111.9F194 Y221 Y222 Y223 G228 Q229F194-C225 HydrophobicContact CB-CB 4.23Å; Y221-C225 PolarHBondContact O-N 3.18Å; Y222-C225 PolarHBondContact O-N 3.47Å; Y223-C225 VanDerWaalsContact C-N 3.35Å; Y223-C225 PolarHBondContact O-N 3.24Å; C225-G228 PolarHBondContact O-N 2.77Å; C225-Q229 PolarHBondContact O-N 3.47Å
226H94.6Very high95.2Very high4 Ų447.2 Ų47.22%0.01926%0.259CS..Hα-helixtrans-72.5-38.3-173.9-66.4-60.8000113.1F194 M197 Y222 G228 Q229 L230 L280F194-H226 PolarHBondContact O-CE1 3.45Å; M197-H226 PolarHBondContact SD-CE1 3.48Å; Y222-H226 AromaticContact CD2-CD2 3.37Å; Y222-H226 WeakPolarHBondContact CD2-CD2 3.41Å; Y222-H226 AromaticContact CD2-NE2 3.57Å; Y222-H226 AromaticContact CE2-CD2 3.14Å; Y222-H226 WeakPolarHBondContact CE2-CD2 3.46Å; Y222-H226 AromaticContact CE2-NE2 3.32Å; Y222-H226 VanDerWaalsContact CE2-NE2 3.32Å; Y222-H226 WeakPolarHBondContact CE2-NE2 3.37Å; Y222-H226 AromaticContact CZ-CD2 3.61Å; Y222-H226 PolarHBondContact O-CD2 2.96Å; Y222-H226 VanDerWaalsContact O-CD2 3.26Å; Y222-H226 PolarHBondContact O-N 2.9Å; H226-G228 VanDerWaalsContact C-N 3.27Å; H226-G228 PolarHBondContact O-N 2.96Å; H226-Q229 PolarHBondContact O-N 3.11Å; H226-L230 WeakPolarHBondContact O-CG 3.32Å; H226-L230 PolarHBondContact O-N 3.23Å; H226-L280 HydrophobicContact CB-CD1 3.76Å; H226-L280 HydrophobicContact CB-CD2 3.95Å
227K95.2Very high95.3Very high60 Ų6044.1 Ų44.126%0.26124%0.237SC..Hα-helixtrans-59.3-41.3172.6-177.9-178.869.9-174.80111.1Y223 Q229 L230 V231 L280 Q283 A287Y223-K227 WeakPolarHBondContact O-CA 3.34Å; Y223-K227 WeakPolarHBondContact O-CB 3.46Å; Y223-K227 PolarHBondContact O-N 3.3Å; K227-Q229 VanDerWaalsContact C-N 3.31Å; K227-Q229 PolarHBondContact O-N 2.82Å; K227-L230 PolarHBondContact O-N 2.97Å; K227-V231 HydrophobicContact CG-CG2 4.02Å; K227-V231 WeakPolarHBondContact O-CB 3.25Å; K227-V231 VanDerWaalsContact O-CG2 3.27Å; K227-V231 WeakPolarHBondContact O-CG2 3.19Å; K227-V231 PolarHBondContact O-N 3.24Å; K227-L280 HydrophobicContact CB-CD1 4.3Å; K227-Q283 HydrophobicContact CD-CB 3.97Å; K227-A287 HydrophobicContact CD-CB 3.9Å; K227-A287 HydrophobicContact CG-CB 4.41Å
228G94.2Very high95.3Very high40 Ų4042.6 Ų42.641%0.41223%0.234SC..Hα-helixtrans-57.9-43.7178.400000112.4K224 C225 H226 S232K224-G228 PolarHBondContact O-N 2.77Å; C225-G228 PolarHBondContact O-N 2.77Å; H226-G228 VanDerWaalsContact C-N 3.27Å; H226-G228 PolarHBondContact O-N 2.96Å; G228-S232 PolarHBondContact O-N 3.4Å; G228-S232 PolarHBondContact O-OG 2.94Å
229Q94.3Very high95.2Very high89 Ų8950 Ų5042%0.41627%0.268SS..Hα-helixtrans-65.5-43.3176.4-65.2171.7-9.700112.3C225 H226 K227 S232 V233C225-Q229 PolarHBondContact O-N 3.47Å; H226-Q229 PolarHBondContact O-N 3.11Å; K227-Q229 VanDerWaalsContact C-N 3.31Å; K227-Q229 PolarHBondContact O-N 2.82Å; Q229-S232 PolarHBondContact O-N 3.44Å; Q229-S232 PolarHBondContact O-OG 2.86Å; Q229-V233 WeakPolarHBondContact O-CG2 3.4Å; Q229-V233 PolarHBondContact O-N 3.46Å; Q229-V233 VanDerWaalsContact O-N 3.15Å
230L96.4Very high95.2Very high11 Ų1150.4 Ų50.46%0.05827%0.274CS..Hα-helixtrans-69.1-40.2179.6-68.5173.3000112.3H226 K227 S232 V233 W234 F251 T254 L255 T258 T284H226-L230 WeakPolarHBondContact O-CG 3.32Å; H226-L230 PolarHBondContact O-N 3.23Å; K227-L230 PolarHBondContact O-N 2.97Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.06Å; L230-V233 PolarHBondContact O-N 3.22Å; L230-W234 PolarHBondContact O-N 3.44Å; L230-W234 VanDerWaalsContact O-N 3.09Å; L230-F251 WeakPolarHBondContact O-CE2 3.36Å; L230-T254 HydrophobicContact CD2-CG2 4.41Å; L230-L255 HydrophobicContact CD1-CD2 3.96Å; L230-L255 HydrophobicContact CD2-CD2 4.18Å; L230-L255 HydrophobicContact CG-CD2 4.49Å; L230-T258 HydrophobicContact CD1-CG2 4.11Å; L230-T258 HydrophobicContact CD2-CG2 4.13Å; L230-T284 HydrophobicContact CB-CG2 3.5Å; L230-T284 HydrophobicContact CD1-CG2 3.92Å; L230-T284 HydrophobicContact CG-CG2 4.36Å
231V96.4Very high95.1Very high19 Ų1957.6 Ų57.612%0.11530%0.298CS..Hα-helixtrans-65.8-35.4176.5171.80000111K227 W234 Q235 T284 A287K227-V231 HydrophobicContact CG-CG2 4.02Å; K227-V231 WeakPolarHBondContact O-CB 3.25Å; K227-V231 VanDerWaalsContact O-CG2 3.27Å; K227-V231 WeakPolarHBondContact O-CG2 3.19Å; K227-V231 PolarHBondContact O-N 3.24Å; V231-W234 PolarHBondContact O-N 3.44Å; V231-Q235 HydrophobicContact CG1-CG 4.49Å; V231-Q235 WeakPolarHBondContact O-CG 3.38Å; V231-Q235 PolarHBondContact O-N 3.22Å; V231-T284 HydrophobicContact CG2-CG2 4.44Å; V231-A287 HydrophobicContact CG2-CB 4.15Å
232S95.8Very high95Very high48 Ų4858.2 Ų58.234%0.33630%0.304SS..Hα-helixtrans-65.8-39.8173.962.50000112.1G228 Q229 L230 W234 Q235 D236G228-S232 PolarHBondContact O-N 3.4Å; G228-S232 PolarHBondContact O-OG 2.94Å; Q229-S232 PolarHBondContact O-N 3.44Å; Q229-S232 PolarHBondContact O-OG 2.86Å; L230-S232 VanDerWaalsContact C-N 3.31Å; L230-S232 PolarHBondContact O-N 3.06Å; S232-W234 VanDerWaalsContact C-N 3.29Å; S232-W234 PolarHBondContact O-N 3.03Å; S232-Q235 WeakPolarHBondContact O-CB 3.46Å; S232-Q235 PolarHBondContact O-N 3.47Å; S232-Q235 VanDerWaalsContact O-N 3.12Å; S232-D236 PolarHBondContact O-N 2.95Å
233V96.6Very high94.9Very high49 Ų4961 Ų6130%0.29732%0.324SS..Hα-helixtrans-58.2-43.7173.6173.30000111Q229 L230 D236 L237 F251 T254Q229-V233 WeakPolarHBondContact O-CG2 3.4Å; Q229-V233 PolarHBondContact O-N 3.46Å; Q229-V233 VanDerWaalsContact O-N 3.15Å; L230-V233 PolarHBondContact O-N 3.22Å; V233-D236 PolarHBondContact O-N 3.42Å; V233-L237 HydrophobicContact CG1-CD1 3.99Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CB 3.29Å; V233-L237 WeakPolarHBondContact O-CG 3.48Å; V233-L237 PolarHBondContact O-N 2.85Å; V233-F251 HydrophobicContact CG1-CD2 4.45Å; V233-T254 HydrophobicContact CG1-CG2 4.34Å
234W97.2Very high94.8Very high1 Ų161.7 Ų61.70%0.00433%0.329CS..Hα-helixtrans-63.1-41.8175175.7-115.4000112.8L230 V231 S232 D236 L237 S238 L244 Q247 L248 F251 M288 P290L230-W234 PolarHBondContact O-N 3.44Å; L230-W234 VanDerWaalsContact O-N 3.09Å; V231-W234 PolarHBondContact O-N 3.44Å; S232-W234 VanDerWaalsContact C-N 3.29Å; S232-W234 PolarHBondContact O-N 3.03Å; W234-D236 VanDerWaalsContact C-N 3.33Å; W234-D236 PolarHBondContact O-N 3.05Å; W234-L237 HydrophobicContact CE3-CB 4.48Å; W234-L237 PolarHBondContact O-N 2.88Å; W234-S238 VanDerWaalsContact O-CB 3.29Å; W234-S238 WeakPolarHBondContact O-CB 3.3Å; W234-S238 PolarHBondContact O-N 2.91Å; W234-S238 PolarHBondContact O-OG 3.22Å; W234-L244 HydrophobicContact CH2-CD1 4.28Å; W234-Q247 HydrophobicContact CH2-CB 4.49Å; W234-Q247 HydrophobicContact CZ3-CB 4.21Å; W234-L248 HydrophobicContact CH2-CD2 3.57Å; W234-L248 HydrophobicContact CH2-CG 4.18Å; W234-L248 HydrophobicContact CZ2-CD2 4.44Å; W234-L248 HydrophobicContact CZ3-CD2 3.86Å; W234-L248 HydrophobicContact CZ3-CG 4.47Å; W234-F251 HydrophobicContact CB-CD2 3.94Å; W234-F251 HydrophobicContact CB-CE2 3.66Å; W234-F251 HydrophobicContact CB-CZ 4.01Å; W234-F251 HydrophobicContact CE3-CB 3.81Å; W234-F251 HydrophobicContact CE3-CD1 4Å; W234-F251 HydrophobicContact CE3-CD2 4.13Å; W234-F251 AromaticContact CE3-CG 3.7Å; W234-F251 HydrophobicContact CE3-CG 3.7Å; W234-F251 HydrophobicContact CZ3-CB 4.08Å; W234-F251 HydrophobicContact CZ3-CG 4.36Å; W234-M288 HydrophobicContact CB-CE 4.47Å; W234-M288 HydrophobicContact CD2-CE 3.24Å; W234-M288 HydrophobicContact CE3-CE 3.67Å; W234-M288 HydrophobicContact CG-CE 3.61Å; W234-M288 HydrophobicContact CG-CG 4.44Å; W234-M288 HydrophobicContact CH2-CE 4.12Å; W234-M288 HydrophobicContact CZ2-CE 3.73Å; W234-M288 HydrophobicContact CZ3-CE 4.08Å; W234-P290 HydrophobicContact CZ2-CG 4.45Å; W234-P290 PolarHBondContact NE1-O 3.08Å
235Q95.9Very high94.8Very high79 Ų7956.1 Ų56.137%0.36931%0.306SS..Hα-helixtrans-60.5-44.5178.1-74.5172.6-6.800111.3V231 S232 S238 Q239V231-Q235 HydrophobicContact CG1-CG 4.49Å; V231-Q235 WeakPolarHBondContact O-CG 3.38Å; V231-Q235 PolarHBondContact O-N 3.22Å; S232-Q235 WeakPolarHBondContact O-CB 3.46Å; S232-Q235 PolarHBondContact O-N 3.47Å; S232-Q235 VanDerWaalsContact O-N 3.12Å; Q235-S238 PolarHBondContact O-N 3.2Å; Q235-S238 PolarHBondContact O-OG 3.17Å; Q235-Q239 WeakPolarHBondContact O-CG 2.99Å; Q235-Q239 PolarHBondContact O-N 3.14Å
236D96.1Very high94.9Very high107 Ų10760 Ų6057%0.57232%0.323SS*.Hα-helixtrans-64.3-45.5177.3-64.4-22.4000111.3S232 V233 W234 S238 Q239 S240S232-D236 PolarHBondContact O-N 2.95Å; V233-D236 PolarHBondContact O-N 3.42Å; W234-D236 VanDerWaalsContact C-N 3.33Å; W234-D236 PolarHBondContact O-N 3.05Å; D236-S238 VanDerWaalsContact C-N 3.34Å; D236-S238 PolarHBondContact O-N 3.47Å; D236-Q239 PolarHBondContact O-N 2.79Å; D236-S240 PolarHBondContact O-N 3.29Å
237L95.9Very high95Very high24 Ų2460.7 Ų60.713%0.12633%0.326CS..Hα-helixtrans-61.5-40.8175.8-73.8173.7000112.1V233 W234 Q239 S240 Q247 E250 F251V233-L237 HydrophobicContact CG1-CD1 3.99Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CB 3.29Å; V233-L237 WeakPolarHBondContact O-CG 3.48Å; V233-L237 PolarHBondContact O-N 2.85Å; W234-L237 HydrophobicContact CE3-CB 4.48Å; W234-L237 PolarHBondContact O-N 2.88Å; L237-Q239 PolarHBondContact O-N 3.45Å; L237-S240 VanDerWaalsContact O-CB 3.29Å; L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 3.17Å; L237-S240 VanDerWaalsContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.03Å; L237-Q247 PolarHBondContact O-NE2 3.17Å; L237-Q247 VanDerWaalsContact O-NE2 3.14Å; L237-E250 HydrophobicContact CD1-CB 4.28Å; L237-E250 HydrophobicContact CD2-CB 4.34Å; L237-E250 VanDerWaalsContact CD2-OE2 3.32Å; L237-E250 WeakPolarHBondContact CD2-OE2 3.41Å; L237-F251 HydrophobicContact CD1-CB 3.86Å; L237-F251 HydrophobicContact CD1-CD2 4.32Å
238S93Very high95.1Very high34 Ų3457.9 Ų57.924%0.23831%0.314CS..Hα-helixtrans-66.6-21.7-179.474.80000113.6W234 Q235 D236W234-S238 VanDerWaalsContact O-CB 3.29Å; W234-S238 WeakPolarHBondContact O-CB 3.3Å; W234-S238 PolarHBondContact O-N 2.91Å; W234-S238 PolarHBondContact O-OG 3.22Å; Q235-S238 PolarHBondContact O-N 3.2Å; Q235-S238 PolarHBondContact O-OG 3.17Å; D236-S238 VanDerWaalsContact C-N 3.34Å; D236-S238 PolarHBondContact O-N 3.47Å
239Q93.1Very high95.2Very high156 Ų15657.4 Ų57.473%0.72931%0.306SS*.THydrogen-bonded Turntrans-91.1-7.6176.3-67.7175.723.300113.1Q235 D236 L237Q235-Q239 WeakPolarHBondContact O-CG 2.99Å; Q235-Q239 PolarHBondContact O-N 3.14Å; D236-Q239 PolarHBondContact O-N 2.79Å; L237-Q239 PolarHBondContact O-N 3.45Å
240S94.3Very high95.4Very high42 Ų4257.3 Ų57.329%0.29431%0.306SS..SBendtrans-70.8161.7177.873.90000112.5D236 L237 L242 Q247D236-S240 PolarHBondContact O-N 3.29Å; L237-S240 VanDerWaalsContact O-CB 3.29Å; L237-S240 WeakPolarHBondContact O-CB 3.27Å; L237-S240 PolarHBondContact O-N 3.17Å; L237-S240 VanDerWaalsContact O-N 3.09Å; L237-S240 PolarHBondContact O-OG 3.03Å; S240-L242 PolarHBondContact O-N 3.36Å; S240-L242 WeakPolarHBondContact OG-CB 3.34Å; S240-L242 PolarHBondContact OG-N 2.93Å; S240-Q247 PolarHBondContact O-NE2 2.68Å; S240-Q247 PolarHBondContact OG-NE2 3.16Å
241E92.3Very high95.4Very high207 Ų20756.8 Ų56.897%0.96730%0.303SS*.SBendtrans-771.5174-61.4-167.116600113.7
242L92.9Very high95.5Very high65 Ų6556 Ų5634%0.3430%0.298SS..SBendtrans-66.6154.5-179.4-61.5175.6000111.7S240 Q246 Q247 E250S240-L242 PolarHBondContact O-N 3.36Å; S240-L242 WeakPolarHBondContact OG-CB 3.34Å; S240-L242 PolarHBondContact OG-N 2.93Å; L242-Q246 HydrophobicContact CB-CB 4.24Å; L242-Q247 HydrophobicContact CB-CG 3.86Å; L242-Q247 PolarHBondContact O-NE2 3.04Å; L242-Q247 VanDerWaalsContact O-NE2 3.15Å; L242-E250 WeakPolarHBondContact CD1-OE1 3.36Å
243S93.4Very high95.6Very high58 Ų5858.9 Ų58.941%0.40631%0.31SS..  trans-64.1148.7170.265.80000110.6N245 Q246 Q247S243-N245 PolarHBondContact O-N 3.42Å; S243-N245 VanDerWaalsContact O-N 3.09Å; S243-Q246 PolarHBondContact O-N 3.08Å; S243-Q246 WeakPolarHBondContact OG-CG 3.29Å; S243-Q246 PolarHBondContact OG-N 3.26Å; S243-Q246 PolarHBondContact OG-OE1 3.43Å; S243-Q246 VanDerWaalsContact OG-OE1 3.13Å; S243-Q247 WeakPolarHBondContact O-CG 3.36Å; S243-Q247 PolarHBondContact O-N 3.08Å
244L94.8Very high95.6Very high34 Ų3458.9 Ų58.918%0.17831%0.31CS..Hα-helixtrans-53.9-35.5178.3177.864000112.3W234 Q247 L248 C295 A299 L315W234-L244 HydrophobicContact CH2-CD1 4.28Å; L244-Q247 PolarHBondContact O-N 3.11Å; L244-L248 HydrophobicContact CD1-CD1 4.3Å; L244-L248 HydrophobicContact CD1-CG 4.16Å; L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 HydrophobicContact CG-CG 4.44Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 WeakPolarHBondContact O-CG 3.35Å; L244-L248 PolarHBondContact O-N 3.29Å; L244-C295 HydrophobicContact CD1-CB 3.84Å; L244-C295 HydrophobicContact CD2-CB 3.96Å; L244-C295 WeakPolarHBondContact CD2-O 3.22Å; L244-A299 HydrophobicContact CD2-CB 3.69Å; L244-L315 HydrophobicContact CB-CD2 4.32Å; L244-L315 HydrophobicContact CD2-CD1 4.12Å; L244-L315 HydrophobicContact CD2-CD2 3.93Å; L244-L315 HydrophobicContact CG-CD2 3.85Å
245N95.2Very high95.6Very high37 Ų3758.8 Ų58.820%0.19831%0.31CS..Hα-helixtrans-63.1-43.9178-168.624.2000112S243 A249 L315 T318S243-N245 PolarHBondContact O-N 3.42Å; S243-N245 VanDerWaalsContact O-N 3.09Å; N245-A249 WeakPolarHBondContact O-CB 3.16Å; N245-A249 PolarHBondContact O-N 3.42Å; N245-L315 HydrophobicContact CB-CD2 4.03Å; N245-T318 WeakPolarHBondContact OD1-CB 3.38Å; N245-T318 PolarHBondContact OD1-OG1 3.4Å
246Q95.8Very high95.6Very high97 Ų9756.4 Ų56.445%0.45330%0.299SS..Hα-helixtrans-67.9-41.9174.8-73.1166-23.800111.9L242 S243 L248 A249 E250L242-Q246 HydrophobicContact CB-CB 4.24Å; S243-Q246 PolarHBondContact O-N 3.08Å; S243-Q246 WeakPolarHBondContact OG-CG 3.29Å; S243-Q246 PolarHBondContact OG-N 3.26Å; S243-Q246 PolarHBondContact OG-OE1 3.43Å; S243-Q246 VanDerWaalsContact OG-OE1 3.13Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 3.49Å; Q246-A249 PolarHBondContact O-N 3.43Å; Q246-E250 WeakPolarHBondContact O-CG 3.34Å; Q246-E250 PolarHBondContact O-N 2.91Å
247Q96.7Very high95.7Very high18 Ų1855 Ų558%0.08430%0.298CS..Hα-helixtrans-56.7-46.3175.8-66.3174.3-14.100111.3W234 L237 S240 L242 S243 L244 F251W234-Q247 HydrophobicContact CH2-CB 4.49Å; W234-Q247 HydrophobicContact CZ3-CB 4.21Å; L237-Q247 PolarHBondContact O-NE2 3.17Å; L237-Q247 VanDerWaalsContact O-NE2 3.14Å; S240-Q247 PolarHBondContact O-NE2 2.68Å; S240-Q247 PolarHBondContact OG-NE2 3.16Å; L242-Q247 HydrophobicContact CB-CG 3.86Å; L242-Q247 PolarHBondContact O-NE2 3.04Å; L242-Q247 VanDerWaalsContact O-NE2 3.15Å; S243-Q247 WeakPolarHBondContact O-CG 3.36Å; S243-Q247 PolarHBondContact O-N 3.08Å; L244-Q247 PolarHBondContact O-N 3.11Å; Q247-F251 VanDerWaalsContact O-CB 3.3Å; Q247-F251 WeakPolarHBondContact O-CB 3.41Å; Q247-F251 PolarHBondContact O-N 3.39Å; Q247-F251 VanDerWaalsContact O-N 3.07Å
248L96.6Very high95.6Very high0 Ų055 Ų550%030%0.298CS..Hα-helixtrans-67.9-40.1176.6-73.1175.1000112.2W234 L244 Q246 F251 Y252 L315 T318W234-L248 HydrophobicContact CH2-CD2 3.57Å; W234-L248 HydrophobicContact CH2-CG 4.18Å; W234-L248 HydrophobicContact CZ2-CD2 4.44Å; W234-L248 HydrophobicContact CZ3-CD2 3.86Å; W234-L248 HydrophobicContact CZ3-CG 4.47Å; L244-L248 HydrophobicContact CD1-CD1 4.3Å; L244-L248 HydrophobicContact CD1-CG 4.16Å; L244-L248 HydrophobicContact CG-CD1 4.18Å; L244-L248 HydrophobicContact CG-CG 4.44Å; L244-L248 WeakPolarHBondContact O-CB 3.49Å; L244-L248 WeakPolarHBondContact O-CG 3.35Å; L244-L248 PolarHBondContact O-N 3.29Å; Q246-L248 VanDerWaalsContact C-N 3.32Å; Q246-L248 PolarHBondContact O-N 3.49Å; L248-F251 PolarHBondContact O-N 2.99Å; L248-Y252 HydrophobicContact CB-CD2 4.39Å; L248-Y252 HydrophobicContact CB-CE2 4.03Å; L248-Y252 VanDerWaalsContact O-CB 3.28Å; L248-Y252 WeakPolarHBondContact O-CB 3.24Å; L248-Y252 WeakPolarHBondContact O-CD2 3.48Å; L248-Y252 PolarHBondContact O-N 2.77Å; L248-L315 HydrophobicContact CD1-CD2 3.88Å; L248-T318 HydrophobicContact CB-CG2 4.33Å
249A97.1Very high95.8Very high31 Ų3153.6 Ų53.626%0.25629%0.288SS..Hα-helixtrans-60.5-51.3177.600000111.6N245 Q246 F251 Y252 D253 T318N245-A249 WeakPolarHBondContact O-CB 3.16Å; N245-A249 PolarHBondContact O-N 3.42Å; Q246-A249 PolarHBondContact O-N 3.43Å; A249-F251 VanDerWaalsContact C-N 3.31Å; A249-F251 PolarHBondContact O-N 3.15Å; A249-Y252 PolarHBondContact O-N 3Å; A249-D253 PolarHBondContact O-N 3.36Å; A249-T318 HydrophobicContact CB-CG2 3.8Å
250E97.4Very high95.9Very high87 Ų8750.7 Ų50.741%0.40727%0.274SS..Hα-helixtrans-62.1-39.3178.3-71-176.7-161.800112L237 L242 Q246 T254L237-E250 HydrophobicContact CD1-CB 4.28Å; L237-E250 HydrophobicContact CD2-CB 4.34Å; L237-E250 VanDerWaalsContact CD2-OE2 3.32Å; L237-E250 WeakPolarHBondContact CD2-OE2 3.41Å; L242-E250 WeakPolarHBondContact CD1-OE1 3.36Å; Q246-E250 WeakPolarHBondContact O-CG 3.34Å; Q246-E250 PolarHBondContact O-N 2.91Å; E250-T254 WeakPolarHBondContact O-CB 3.32Å; E250-T254 PolarHBondContact O-N 2.95Å; E250-T254 PolarHBondContact O-OG1 3.4Å
251F97.7Very high95.9Very high0 Ų051.3 Ų51.30%028%0.278CS..Hα-helixtrans-66.6-43.8176.5-174.9-114.1000112.1L230 V233 W234 L237 Q247 L248 A249 T254 L255 T284 L285 M288L230-F251 WeakPolarHBondContact O-CE2 3.36Å; V233-F251 HydrophobicContact CG1-CD2 4.45Å; W234-F251 HydrophobicContact CB-CD2 3.94Å; W234-F251 HydrophobicContact CB-CE2 3.66Å; W234-F251 HydrophobicContact CB-CZ 4.01Å; W234-F251 HydrophobicContact CE3-CB 3.81Å; W234-F251 HydrophobicContact CE3-CD1 4Å; W234-F251 HydrophobicContact CE3-CD2 4.13Å; W234-F251 AromaticContact CE3-CG 3.7Å; W234-F251 HydrophobicContact CE3-CG 3.7Å; W234-F251 HydrophobicContact CZ3-CB 4.08Å; W234-F251 HydrophobicContact CZ3-CG 4.36Å; L237-F251 HydrophobicContact CD1-CB 3.86Å; L237-F251 HydrophobicContact CD1-CD2 4.32Å; Q247-F251 VanDerWaalsContact O-CB 3.3Å; Q247-F251 WeakPolarHBondContact O-CB 3.41Å; Q247-F251 PolarHBondContact O-N 3.39Å; Q247-F251 VanDerWaalsContact O-N 3.07Å; L248-F251 PolarHBondContact O-N 2.99Å; A249-F251 VanDerWaalsContact C-N 3.31Å; A249-F251 PolarHBondContact O-N 3.15Å; F251-T254 CarbonylContact O-C 3.25Å; F251-T254 WeakPolarHBondContact O-CB 3.13Å; F251-T254 PolarHBondContact O-N 2.97Å; F251-L255 HydrophobicContact CD1-CD1 4.03Å; F251-L255 HydrophobicContact CD1-CG 4.27Å; F251-L255 HydrophobicContact CE1-CD1 3.53Å; F251-L255 HydrophobicContact CE1-CD2 4.23Å; F251-L255 HydrophobicContact CE1-CG 3.88Å; F251-L255 HydrophobicContact CE2-CD2 4.29Å; F251-L255 HydrophobicContact CE2-CG 4.39Å; F251-L255 HydrophobicContact CZ-CD1 4.02Å; F251-L255 HydrophobicContact CZ-CD2 3.84Å; F251-L255 HydrophobicContact CZ-CG 3.95Å; F251-L255 WeakPolarHBondContact O-CG 3.42Å; F251-L255 PolarHBondContact O-N 3.5Å; F251-T284 HydrophobicContact CZ-CG2 4.09Å; F251-L285 HydrophobicContact CE1-CD2 4.5Å; F251-M288 HydrophobicContact CD1-CE 3.63Å; F251-M288 HydrophobicContact CD1-SD 4.26Å; F251-M288 HydrophobicContact CE1-CE 3.41Å; F251-M288 VanDerWaalsContact CE1-CE 3.41Å; F251-M288 HydrophobicContact CE1-CG 4.24Å; F251-M288 HydrophobicContact CE1-SD 3.53Å; F251-M288 VanDerWaalsContact CE1-SD 3.53Å; F251-M288 HydrophobicContact CZ-CE 4.21Å; F251-M288 HydrophobicContact CZ-CG 4.42Å; F251-M288 HydrophobicContact CZ-SD 4.28Å
252Y97.6Very high96Very high3 Ų342.1 Ų42.11%0.01224%0.236CC..Hα-helixtrans-65.5-37.8177-70.4-25.2000112.8L248 A249 T254 L255 L256 L285 T318 A319 F322 L349L248-Y252 HydrophobicContact CB-CD2 4.39Å; L248-Y252 HydrophobicContact CB-CE2 4.03Å; L248-Y252 VanDerWaalsContact O-CB 3.28Å; L248-Y252 WeakPolarHBondContact O-CB 3.24Å; L248-Y252 WeakPolarHBondContact O-CD2 3.48Å; L248-Y252 PolarHBondContact O-N 2.77Å; A249-Y252 PolarHBondContact O-N 3Å; Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 2.99Å; Y252-L255 HydrophobicContact CD1-CD1 4.26Å; Y252-L255 PolarHBondContact O-N 3.46Å; Y252-L256 WeakPolarHBondContact O-CB 3.39Å; Y252-L256 PolarHBondContact O-N 3.25Å; Y252-L285 HydrophobicContact CE1-CD2 4.33Å; Y252-T318 HydrophobicContact CD2-CG2 3.9Å; Y252-T318 HydrophobicContact CE2-CG2 4.2Å; Y252-A319 HydrophobicContact CE2-CB 4.03Å; Y252-F322 AromaticContact CD1-CD1 3.8Å; Y252-F322 HydrophobicContact CD1-CD1 3.8Å; Y252-F322 AromaticContact CD1-CE1 3.98Å; Y252-F322 HydrophobicContact CD1-CE1 3.98Å; Y252-F322 HydrophobicContact CD1-CG 4.08Å; Y252-F322 HydrophobicContact CD1-CZ 4.42Å; Y252-F322 HydrophobicContact CD2-CB 3.87Å; Y252-F322 HydrophobicContact CD2-CD1 4.39Å; Y252-F322 HydrophobicContact CD2-CG 4.22Å; Y252-F322 HydrophobicContact CE1-CD1 4.24Å; Y252-F322 HydrophobicContact CE1-CE1 4.43Å; Y252-F322 HydrophobicContact CG-CB 3.86Å; Y252-F322 AromaticContact CG-CD1 3.9Å; Y252-F322 HydrophobicContact CG-CD1 3.9Å; Y252-F322 HydrophobicContact CG-CD2 4.2Å; Y252-F322 HydrophobicContact CG-CE1 4.47Å; Y252-F322 AromaticContact CG-CG 3.73Å; Y252-F322 HydrophobicContact CG-CG 3.73Å; Y252-F322 WeakPolarHBondContact O-CD2 3.27Å; Y252-F322 VanDerWaalsContact O-CE2 3.23Å; Y252-F322 WeakPolarHBondContact O-CE2 3.08Å; Y252-L349 HydrophobicContact CE1-CD1 4.21Å
253D97.4Very high96.1Very high108 Ų10840 Ų4058%0.57823%0.225SC*.Hα-helixtrans-63.2-40.7171.8-74.9-20000111.1A249 L256 S257A249-D253 PolarHBondContact O-N 3.36Å; D253-L256 PolarHBondContact O-N 2.65Å; D253-S257 WeakPolarHBondContact O-CB 3.26Å; D253-S257 PolarHBondContact O-N 3.05Å
254T97.3Very high96.1Very high48 Ų4843.8 Ų43.829%0.29424%0.236SC..Hα-helixtrans-62.1-43.9173.8-56.80000111.3L230 V233 E250 F251 Y252 S257 T258L230-T254 HydrophobicContact CD2-CG2 4.41Å; V233-T254 HydrophobicContact CG1-CG2 4.34Å; E250-T254 WeakPolarHBondContact O-CB 3.32Å; E250-T254 PolarHBondContact O-N 2.95Å; E250-T254 PolarHBondContact O-OG1 3.4Å; F251-T254 CarbonylContact O-C 3.25Å; F251-T254 WeakPolarHBondContact O-CB 3.13Å; F251-T254 PolarHBondContact O-N 2.97Å; Y252-T254 VanDerWaalsContact C-N 3.31Å; Y252-T254 PolarHBondContact O-N 2.99Å; T254-S257 PolarHBondContact O-N 3.26Å; T254-T258 VanDerWaalsContact O-CB 3.31Å; T254-T258 WeakPolarHBondContact O-CB 3.45Å; T254-T258 PolarHBondContact O-N 3.48Å; T254-T258 PolarHBondContact O-OG1 2.92Å
255L97.1Very high96.2Very high0 Ų043 Ų430%023%0.231CC..Hα-helixtrans-63.6-40.6176.2-71.6-175000112.3L230 F251 Y252 T258 W259 L281 T284 L285 F322L230-L255 HydrophobicContact CD1-CD2 3.96Å; L230-L255 HydrophobicContact CD2-CD2 4.18Å; L230-L255 HydrophobicContact CG-CD2 4.49Å; F251-L255 HydrophobicContact CD1-CD1 4.03Å; F251-L255 HydrophobicContact CD1-CG 4.27Å; F251-L255 HydrophobicContact CE1-CD1 3.53Å; F251-L255 HydrophobicContact CE1-CD2 4.23Å; F251-L255 HydrophobicContact CE1-CG 3.88Å; F251-L255 HydrophobicContact CE2-CD2 4.29Å; F251-L255 HydrophobicContact CE2-CG 4.39Å; F251-L255 HydrophobicContact CZ-CD1 4.02Å; F251-L255 HydrophobicContact CZ-CD2 3.84Å; F251-L255 HydrophobicContact CZ-CG 3.95Å; F251-L255 WeakPolarHBondContact O-CG 3.42Å; F251-L255 PolarHBondContact O-N 3.5Å; Y252-L255 HydrophobicContact CD1-CD1 4.26Å; Y252-L255 PolarHBondContact O-N 3.46Å; L255-T258 PolarHBondContact O-N 2.94Å; L255-W259 WeakPolarHBondContact O-CB 3.4Å; L255-W259 PolarHBondContact O-N 3.21Å; L255-L281 HydrophobicContact CB-CD2 4.18Å; L255-L281 HydrophobicContact CD2-CD2 3.99Å; L255-T284 HydrophobicContact CD2-CG2 3.99Å; L255-L285 HydrophobicContact CD1-CD2 3.76Å; L255-L285 HydrophobicContact CD1-CG 4.33Å; L255-F322 HydrophobicContact CB-CE2 3.95Å; L255-F322 HydrophobicContact CB-CZ 3.83Å; L255-F322 HydrophobicContact CD1-CZ 4.06Å
256L96.8Very high96.1Very high29 Ų2941.3 Ų41.315%0.15222%0.221CC..Hα-helixtrans-66.7-45178.3-174.764.6000111.3Y252 D253 T258 W259 H260 F322 L326Y252-L256 WeakPolarHBondContact O-CB 3.39Å; Y252-L256 PolarHBondContact O-N 3.25Å; D253-L256 PolarHBondContact O-N 2.65Å; L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.91Å; L256-W259 WeakPolarHBondContact O-CB 3.49Å; L256-W259 PolarHBondContact O-N 3.43Å; L256-H260 PolarHBondContact O-CD2 3.23Å; L256-H260 VanDerWaalsContact O-CD2 3.23Å; L256-H260 PolarHBondContact O-N 2.86Å; L256-H260 VanDerWaalsContact O-N 3.1Å; L256-F322 HydrophobicContact CB-CD2 4.35Å; L256-F322 HydrophobicContact CB-CE2 4.05Å; L256-L326 HydrophobicContact CD1-CD2 3.68Å; L256-L326 HydrophobicContact CD1-CG 4.09Å
257S96.6Very high96Very high77 Ų7740 Ų4054%0.53822%0.223SC..Hα-helixtrans-60.6-42.1173.2-178.60000111.9D253 T254 W259 H260 S261D253-S257 WeakPolarHBondContact O-CB 3.26Å; D253-S257 PolarHBondContact O-N 3.05Å; T254-S257 PolarHBondContact O-N 3.26Å; S257-W259 VanDerWaalsContact C-N 3.32Å; S257-W259 PolarHBondContact O-N 3.27Å; S257-H260 PolarHBondContact O-N 2.86Å; S257-S261 PolarHBondContact O-N 3.47Å; S257-S261 PolarHBondContact O-OG 3.5Å
258T95.7Very high95.8Very high23 Ų2343.5 Ų43.514%0.14124%0.24CC..Hα-helixtrans-63.8-39.5175-54.70000111.3L230 T254 L255 L256 H260 S261 Q262L230-T258 HydrophobicContact CD1-CG2 4.11Å; L230-T258 HydrophobicContact CD2-CG2 4.13Å; T254-T258 VanDerWaalsContact O-CB 3.31Å; T254-T258 WeakPolarHBondContact O-CB 3.45Å; T254-T258 PolarHBondContact O-N 3.48Å; T254-T258 PolarHBondContact O-OG1 2.92Å; L255-T258 PolarHBondContact O-N 2.94Å; L256-T258 VanDerWaalsContact C-N 3.32Å; L256-T258 PolarHBondContact O-N 2.91Å; T258-H260 PolarHBondContact O-N 2.99Å; T258-S261 WeakPolarHBondContact CA-OG 3.42Å; T258-S261 PolarHBondContact O-N 3.38Å; T258-S261 PolarHBondContact O-OG 3.01Å; T258-S261 VanDerWaalsContact O-OG 3.13Å; T258-Q262 HydrophobicContact CG2-CG 3.66Å; T258-Q262 WeakPolarHBondContact O-CB 3.37Å; T258-Q262 VanDerWaalsContact O-CG 3.23Å; T258-Q262 WeakPolarHBondContact O-CG 3.5Å; T258-Q262 PolarHBondContact O-N 2.73Å
259W95.3Very high95.7Very high5 Ų544.1 Ų44.12%0.01924%0.243CC..Hα-helixtrans-58.2-49.6175.6-17990.8000111.3L255 L256 S257 L263 Y274 V277 L281 L326 A329 M330L255-W259 WeakPolarHBondContact O-CB 3.4Å; L255-W259 PolarHBondContact O-N 3.21Å; L256-W259 WeakPolarHBondContact O-CB 3.49Å; L256-W259 PolarHBondContact O-N 3.43Å; S257-W259 VanDerWaalsContact C-N 3.32Å; S257-W259 PolarHBondContact O-N 3.27Å; W259-L263 HydrophobicContact CH2-CD2 3.61Å; W259-L263 HydrophobicContact CZ2-CD2 3.86Å; W259-L263 HydrophobicContact CZ3-CD2 3.99Å; W259-L263 WeakPolarHBondContact O-CB 3.46Å; W259-L263 PolarHBondContact O-N 2.9Å; W259-Y274 HydrophobicContact CZ2-CD1 4.4Å; W259-V277 HydrophobicContact CB-CG1 4.27Å; W259-V277 HydrophobicContact CG-CG1 3.94Å; W259-L281 HydrophobicContact CB-CD1 4.24Å; W259-L281 HydrophobicContact CG-CD1 4.25Å; W259-L326 HydrophobicContact CB-CD2 4.37Å; W259-L326 HydrophobicContact CD2-CD2 4.35Å; W259-L326 HydrophobicContact CG-CD2 4.05Å; W259-A329 HydrophobicContact CE3-CB 4.23Å; W259-A329 HydrophobicContact CH2-CB 3.73Å; W259-A329 HydrophobicContact CZ3-CB 3.54Å; W259-M330 HydrophobicContact CH2-CG 4.46Å; W259-M330 HydrophobicContact CZ2-CE 4.49Å; W259-M330 HydrophobicContact CZ2-CG 3.73Å
260H95.4Very high95.6Very high95 Ų9543.2 Ų43.244%0.4423%0.233SC..Hα-helixtrans-62.2-48.4178.8-76.4-69.6000112.7L256 S257 T258 L263 Q264L256-H260 PolarHBondContact O-CD2 3.23Å; L256-H260 VanDerWaalsContact O-CD2 3.23Å; L256-H260 PolarHBondContact O-N 2.86Å; L256-H260 VanDerWaalsContact O-N 3.1Å; S257-H260 PolarHBondContact O-N 2.86Å; T258-H260 PolarHBondContact O-N 2.99Å; H260-L263 PolarHBondContact O-N 3.1Å; H260-Q264 PolarHBondContact O-N 3.43Å; H260-Q264 VanDerWaalsContact O-N 3.09Å
261S95.2Very high95.1Very high55 Ų5547.8 Ų47.839%0.38525%0.252SS..Hα-helixtrans-67-43.5-178.356.10000112.5S257 T258 Q264 W265S257-S261 PolarHBondContact O-N 3.47Å; S257-S261 PolarHBondContact O-OG 3.5Å; T258-S261 WeakPolarHBondContact CA-OG 3.42Å; T258-S261 PolarHBondContact O-N 3.38Å; T258-S261 PolarHBondContact O-OG 3.01Å; T258-S261 VanDerWaalsContact O-OG 3.13Å; S261-Q264 PolarHBondContact O-N 3.47Å; S261-W265 PolarHBondContact O-N 3.35Å
262Q94.8Very high94.7Very high14 Ų1452.5 Ų52.57%0.06528%0.277CS..Hα-helixtrans-70.7-31.3177.4-68.3-62.6-35.400112.1Y222 T258 W265 S266 V277 L280Y222-Q262 PolarHBondContact OH-OE1 3.47Å; T258-Q262 HydrophobicContact CG2-CG 3.66Å; T258-Q262 WeakPolarHBondContact O-CB 3.37Å; T258-Q262 VanDerWaalsContact O-CG 3.23Å; T258-Q262 WeakPolarHBondContact O-CG 3.5Å; T258-Q262 PolarHBondContact O-N 2.73Å; Q262-W265 PolarHBondContact O-N 3.11Å; Q262-S266 WeakPolarHBondContact O-CB 3.47Å; Q262-S266 PolarHBondContact O-N 2.87Å; Q262-S266 PolarHBondContact O-OG 2.7Å; Q262-V277 HydrophobicContact CB-CG1 4.27Å; Q262-V277 HydrophobicContact CB-CG2 3.96Å; Q262-L280 HydrophobicContact CG-CD2 4.28Å
263L94.1Very high94.4Very high22 Ų2253.3 Ų53.312%0.11528%0.283CS..Hα-helixtrans-64.9-45.7173.2-175.869.9000110.9W259 H260 W265 S266 S267 P273 Y274 V277W259-L263 HydrophobicContact CH2-CD2 3.61Å; W259-L263 HydrophobicContact CZ2-CD2 3.86Å; W259-L263 HydrophobicContact CZ3-CD2 3.99Å; W259-L263 WeakPolarHBondContact O-CB 3.46Å; W259-L263 PolarHBondContact O-N 2.9Å; H260-L263 PolarHBondContact O-N 3.1Å; L263-W265 VanDerWaalsContact C-N 3.32Å; L263-W265 PolarHBondContact O-N 3.27Å; L263-S266 WeakPolarHBondContact CA-OG 3.34Å; L263-S266 PolarHBondContact O-OG 3.34Å; L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 2.93Å; L263-S267 PolarHBondContact O-OG 3.42Å; L263-P273 HydrophobicContact CD1-CB 4.13Å; L263-Y274 HydrophobicContact CD1-CD1 3.48Å; L263-Y274 VanDerWaalsContact CD1-CD1 3.48Å; L263-Y274 HydrophobicContact CD1-CD2 4.32Å; L263-Y274 HydrophobicContact CD1-CE1 3.62Å; L263-Y274 HydrophobicContact CD1-CE2 4.42Å; L263-Y274 HydrophobicContact CD1-CG 3.84Å; L263-Y274 HydrophobicContact CD2-CD1 4.06Å; L263-Y274 HydrophobicContact CD2-CE1 3.5Å; L263-Y274 VanDerWaalsContact CD2-CE1 3.5Å; L263-Y274 HydrophobicContact CG-CD1 4.42Å; L263-Y274 HydrophobicContact CG-CE1 4.15Å; L263-V277 HydrophobicContact CB-CG2 4.35Å; L263-V277 HydrophobicContact CD1-CG2 4.49Å
264Q93.9Very high94.1Very high137 Ų13749.5 Ų49.564%0.6426%0.261SS*.Hα-helixtrans-60.7-41.6175.9-173.4-178.2-0.700111.9H260 S261 S267 Q268H260-Q264 PolarHBondContact O-N 3.43Å; H260-Q264 VanDerWaalsContact O-N 3.09Å; S261-Q264 PolarHBondContact O-N 3.47Å; Q264-S267 PolarHBondContact O-OG 3.47Å; Q264-Q268 PolarHBondContact O-NE2 3.01Å
265W95.6Very high93.8Very high18 Ų1850 Ų507%0.06826%0.259CS..Hα-helixtrans-71.6-49178.2-175.391.6000112.5F194 M197 A202 Y222 S261 Q262 L263 S267 Q268 V269 F270F194-W265 AromaticContact CD1-CH2 3.87Å; F194-W265 HydrophobicContact CD1-CH2 3.87Å; F194-W265 AromaticContact CE1-CH2 3.93Å; F194-W265 HydrophobicContact CE1-CH2 3.93Å; M197-W265 HydrophobicContact CE-CB 3.74Å; M197-W265 VanDerWaalsContact CE-CD1 3.48Å; M197-W265 HydrophobicContact CE-CD2 3.72Å; M197-W265 HydrophobicContact CE-CE3 4.43Å; M197-W265 HydrophobicContact CE-CG 3.35Å; M197-W265 PolarHBondContact O-NE1 3.34Å; M197-W265 HydrophobicContact SD-CD2 4.32Å; M197-W265 HydrophobicContact SD-CG 4.49Å; A202-W265 HydrophobicContact CB-CH2 3.8Å; A202-W265 HydrophobicContact CB-CZ2 3.73Å; Y222-W265 HydrophobicContact CD2-CZ3 4.07Å; Y222-W265 HydrophobicContact CE2-CE3 4.16Å; Y222-W265 HydrophobicContact CE2-CH2 4.46Å; Y222-W265 AromaticContact CE2-CZ3 3.66Å; Y222-W265 HydrophobicContact CE2-CZ3 3.66Å; S261-W265 PolarHBondContact O-N 3.35Å; Q262-W265 PolarHBondContact O-N 3.11Å; L263-W265 VanDerWaalsContact C-N 3.32Å; L263-W265 PolarHBondContact O-N 3.27Å; W265-S267 VanDerWaalsContact C-N 3.27Å; W265-S267 PolarHBondContact O-N 3.39Å; W265-Q268 WeakPolarHBondContact O-CB 3.29Å; W265-Q268 PolarHBondContact O-N 3.38Å; W265-V269 HydrophobicContact CD2-CG2 4.32Å; W265-V269 HydrophobicContact CE3-CG2 4.34Å; W265-V269 HydrophobicContact CH2-CB 4.28Å; W265-V269 HydrophobicContact CH2-CG1 4.06Å; W265-V269 HydrophobicContact CH2-CG2 3.93Å; W265-V269 HydrophobicContact CZ2-CG2 3.93Å; W265-V269 HydrophobicContact CZ3-CB 4.2Å; W265-V269 HydrophobicContact CZ3-CG1 4.25Å; W265-V269 HydrophobicContact CZ3-CG2 4.14Å; W265-F270 AromaticContact CZ3-CE2 3.88Å; W265-F270 HydrophobicContact CZ3-CE2 3.88Å; W265-F270 HydrophobicContact CZ3-CZ 4.48Å
266S93.9Very high93.6Very high0 Ų050.4 Ų50.40%026%0.262CS..Hα-helixtrans-63.1-31.5-178.658.70000112.5Q262 L263 Q268 V269 F270 P273Q262-S266 WeakPolarHBondContact O-CB 3.47Å; Q262-S266 PolarHBondContact O-N 2.87Å; Q262-S266 PolarHBondContact O-OG 2.7Å; L263-S266 WeakPolarHBondContact CA-OG 3.34Å; L263-S266 PolarHBondContact O-OG 3.34Å; S266-Q268 PolarHBondContact O-N 2.88Å; S266-Q268 VanDerWaalsContact O-N 3.15Å; S266-V269 PolarHBondContact O-N 3.27Å; S266-F270 PolarHBondContact O-N 3.49Å; S266-P273 VanDerWaalsContact OG-CB 3.25Å; S266-P273 WeakPolarHBondContact OG-CB 3.32Å
267S93.3Very high93.6Very high70 Ų7049 Ų4949%0.4926%0.255SS..THydrogen-bonded Turntrans-60-23.2174.872.10000113.6L263 Q264 W265L263-S267 WeakPolarHBondContact O-CB 3.47Å; L263-S267 PolarHBondContact O-N 2.93Å; L263-S267 PolarHBondContact O-OG 3.42Å; Q264-S267 PolarHBondContact O-OG 3.47Å; W265-S267 VanDerWaalsContact C-N 3.27Å; W265-S267 PolarHBondContact O-N 3.39Å
268Q94.1Very high93.4Very high92 Ų9245.5 Ų45.543%0.4323%0.23SC..THydrogen-bonded Turntrans-87.9-16.6177.7-58.6175.747.400112.7V199 K203 Q264 W265 S266V199-Q268 HydrophobicContact CG1-CB 4.14Å; K203-Q268 WeakPolarHBondContact CE-O 3.14Å; Q264-Q268 PolarHBondContact O-NE2 3.01Å; W265-Q268 WeakPolarHBondContact O-CB 3.29Å; W265-Q268 PolarHBondContact O-N 3.38Å; S266-Q268 PolarHBondContact O-N 2.88Å; S266-Q268 VanDerWaalsContact O-N 3.15Å
269V93.9Very high93.4Very high12 Ų1245.4 Ų45.47%0.07323%0.229CC..THydrogen-bonded Turntrans-118.5-45-166.2176.20000111.9V199 A202 V206 W265 S266V199-V269 HydrophobicContact CG1-CG2 4.12Å; A202-V269 HydrophobicContact CB-CG1 3.83Å; A202-V269 HydrophobicContact CB-CG2 4.14Å; V206-V269 HydrophobicContact CG2-CG1 3.58Å; W265-V269 HydrophobicContact CD2-CG2 4.32Å; W265-V269 HydrophobicContact CE3-CG2 4.34Å; W265-V269 HydrophobicContact CH2-CB 4.28Å; W265-V269 HydrophobicContact CH2-CG1 4.06Å; W265-V269 HydrophobicContact CH2-CG2 3.93Å; W265-V269 HydrophobicContact CZ2-CG2 3.93Å; W265-V269 HydrophobicContact CZ3-CB 4.2Å; W265-V269 HydrophobicContact CZ3-CG1 4.25Å; W265-V269 HydrophobicContact CZ3-CG2 4.14Å; S266-V269 PolarHBondContact O-N 3.27Å
270F93.5Very high93.5Very high13 Ų1345.2 Ų45.26%0.05723%0.228CC..  trans-108.6153.5-174.7-59.3-57.7000112.2F194 V206 M215 L219 Y222 W265 S266 V276F194-F270 HydrophobicContact CE1-CZ 4.47Å; V206-F270 HydrophobicContact CG2-CD1 3.78Å; V206-F270 HydrophobicContact CG2-CE1 3.59Å; M215-F270 HydrophobicContact CE-CD1 3.38Å; M215-F270 HydrophobicContact CE-CE1 3.39Å; L219-F270 HydrophobicContact CD2-CD1 4.19Å; L219-F270 HydrophobicContact CD2-CE1 3.84Å; L219-F270 HydrophobicContact CD2-CE2 4.36Å; L219-F270 HydrophobicContact CD2-CZ 3.94Å; Y222-F270 HydrophobicContact CD1-CE2 4.46Å; Y222-F270 HydrophobicContact CD2-CE2 4.03Å; Y222-F270 HydrophobicContact CD2-CZ 4.22Å; Y222-F270 HydrophobicContact CE2-CE2 4.17Å; Y222-F270 HydrophobicContact CG-CE2 4.2Å; Y222-F270 HydrophobicContact CG-CZ 4.21Å; W265-F270 AromaticContact CZ3-CE2 3.88Å; W265-F270 HydrophobicContact CZ3-CE2 3.88Å; W265-F270 HydrophobicContact CZ3-CZ 4.48Å; S266-F270 PolarHBondContact O-N 3.49Å; F270-V276 HydrophobicContact CB-CG2 4.33Å; F270-V276 HydrophobicContact CD2-CB 4.42Å; F270-V276 HydrophobicContact CD2-CG1 3.93Å; F270-V276 HydrophobicContact CD2-CG2 4.17Å; F270-V276 HydrophobicContact CE2-CG1 3.99Å; F270-V276 HydrophobicContact CG-CG2 4.29Å
271K87.5Confident93.5Very high183 Ų18340.7 Ų40.780%0.79621%0.208SC*.SBendtrans-72.1-37.1178.3-66.1-177.7179.9176.50113.5P273K271-P273 VanDerWaalsContact C-CD 3.45Å; K271-P273 VanDerWaalsContact O-CD 3.23Å; K271-P273 WeakPolarHBondContact O-CD 3.37Å
272N89.3Confident93.6Very high98 Ų9839.5 Ų39.552%0.52420%0.196SC..SBendtrans-116.570.4-178.5-66.3-6.1000110.7Y274 E275 V276N272-Y274 VanDerWaalsContact C-N 3.34Å; N272-Y274 PolarHBondContact O-N 3.27Å; N272-E275 HydrophobicContact CB-CB 4.26Å; N272-E275 PolarHBondContact O-N 2.98Å; N272-V276 WeakPolarHBondContact O-CG2 3.37Å; N272-V276 PolarHBondContact O-N 2.95Å
273P91.6Very high93.6Very high20 Ų2041.9 Ų41.913%0.1321%0.208CC..Hα-helixtrans-61.9-39.3-170.826-35.8000112.9L263 S266 K271 E275 V276 V277L263-P273 HydrophobicContact CD1-CB 4.13Å; S266-P273 VanDerWaalsContact OG-CB 3.25Å; S266-P273 WeakPolarHBondContact OG-CB 3.32Å; K271-P273 VanDerWaalsContact C-CD 3.45Å; K271-P273 VanDerWaalsContact O-CD 3.23Å; K271-P273 WeakPolarHBondContact O-CD 3.37Å; P273-E275 PolarHBondContact O-N 2.94Å; P273-V276 PolarHBondContact O-N 2.94Å; P273-V277 WeakPolarHBondContact O-CG2 3.47Å; P273-V277 PolarHBondContact O-N 2.85Å
274Y90.6Very high93.8Very high29 Ų2940.9 Ų40.911%0.11420%0.202CC..Hα-helixtrans-63.9-42.9-179.7-64.3-85.3000113.4W259 L263 N272 V276 V277 T278 H333 E336 N337W259-Y274 HydrophobicContact CZ2-CD1 4.4Å; L263-Y274 HydrophobicContact CD1-CD1 3.48Å; L263-Y274 VanDerWaalsContact CD1-CD1 3.48Å; L263-Y274 HydrophobicContact CD1-CD2 4.32Å; L263-Y274 HydrophobicContact CD1-CE1 3.62Å; L263-Y274 HydrophobicContact CD1-CE2 4.42Å; L263-Y274 HydrophobicContact CD1-CG 3.84Å; L263-Y274 HydrophobicContact CD2-CD1 4.06Å; L263-Y274 HydrophobicContact CD2-CE1 3.5Å; L263-Y274 VanDerWaalsContact CD2-CE1 3.5Å; L263-Y274 HydrophobicContact CG-CD1 4.42Å; L263-Y274 HydrophobicContact CG-CE1 4.15Å; N272-Y274 VanDerWaalsContact C-N 3.34Å; N272-Y274 PolarHBondContact O-N 3.27Å; Y274-V276 VanDerWaalsContact C-N 3.33Å; Y274-V277 PolarHBondContact O-N 3.48Å; Y274-T278 VanDerWaalsContact O-CB 3.26Å; Y274-T278 WeakPolarHBondContact O-CB 3.47Å; Y274-T278 PolarHBondContact O-N 3.29Å; Y274-T278 PolarHBondContact O-OG1 3.08Å; Y274-H333 HydrophobicContact CD1-CB 4.47Å; Y274-H333 HydrophobicContact CE1-CB 3.74Å; Y274-H333 AromaticContact CE1-CG 3.96Å; Y274-H333 HydrophobicContact CE2-CB 4.16Å; Y274-H333 AromaticContact CZ-CD2 3.91Å; Y274-H333 AromaticContact CZ-CG 3.55Å; Y274-H333 PolarHBondContact OH-CD2 3.41Å; Y274-H333 PolarHBondContact OH-CE1 3.26Å; Y274-H333 PolarHBondContact OH-ND1 3.28Å; Y274-H333 PolarHBondContact OH-NE2 3.05Å; Y274-E336 HydrophobicContact CD2-CB 4.27Å; Y274-E336 HydrophobicContact CE2-CB 4.37Å; Y274-E336 WeakPolarHBondContact CE2-OE2 3.37Å; Y274-N337 WeakPolarHBondContact CB-OD1 3.47Å; Y274-N337 WeakPolarHBondContact CD1-OD1 3.25Å
275E91.8Very high93.9Very high58 Ų5834.8 Ų34.827%0.27117%0.174SC..Hα-helixtrans-63.6-42.7177.3-177.4171-160.400110.6N272 P273 T278 V279 N338 K341N272-E275 HydrophobicContact CB-CB 4.26Å; N272-E275 PolarHBondContact O-N 2.98Å; P273-E275 PolarHBondContact O-N 2.94Å; E275-T278 PolarHBondContact O-N 3.31Å; E275-V279 HydrophobicContact CG-CG2 4.43Å; E275-V279 WeakPolarHBondContact O-CB 3.45Å; E275-V279 VanDerWaalsContact O-CG2 3.27Å; E275-V279 WeakPolarHBondContact O-CG2 3.47Å; E275-V279 PolarHBondContact O-N 3.26Å; E275-N338 HydrophobicContact CG-CB 4.19Å; E275-N338 PolarHBondContact OE1-ND2 3.2Å; E275-K341 HydrophobicContact CG-CG 4.27Å
276V93.8Very high93.8Very high8 Ų837.2 Ų37.25%0.04820%0.204CC..Hα-helixtrans-58.6-52177.4173.90000111L219 Y222 Y223 F270 N272 P273 Y274 T278 V279 L280L219-V276 HydrophobicContact CD2-CG1 4.24Å; L219-V276 HydrophobicContact CD2-CG2 3.84Å; Y222-V276 HydrophobicContact CD1-CG1 3.85Å; Y222-V276 HydrophobicContact CE1-CG1 3.43Å; Y222-V276 VanDerWaalsContact CE1-CG1 3.43Å; Y223-V276 HydrophobicContact CE1-CG1 3.99Å; Y223-V276 VanDerWaalsContact CE1-O 3.29Å; Y223-V276 WeakPolarHBondContact CE1-O 3.47Å; Y223-V276 WeakPolarHBondContact OH-CA 3.39Å; F270-V276 HydrophobicContact CB-CG2 4.33Å; F270-V276 HydrophobicContact CD2-CB 4.42Å; F270-V276 HydrophobicContact CD2-CG1 3.93Å; F270-V276 HydrophobicContact CD2-CG2 4.17Å; F270-V276 HydrophobicContact CE2-CG1 3.99Å; F270-V276 HydrophobicContact CG-CG2 4.29Å; N272-V276 WeakPolarHBondContact O-CG2 3.37Å; N272-V276 PolarHBondContact O-N 2.95Å; P273-V276 PolarHBondContact O-N 2.94Å; Y274-V276 VanDerWaalsContact C-N 3.33Å; V276-T278 VanDerWaalsContact C-N 3.34Å; V276-T278 PolarHBondContact O-N 2.81Å; V276-V279 PolarHBondContact O-N 3.38Å; V276-L280 PolarHBondContact O-N 3.34Å
277V94.8Very high93.9Very high1 Ų138.8 Ų38.81%0.00622%0.217CC..Hα-helixtrans-67.3-36.1-179.2-176.40000111.6W259 Q262 L263 P273 Y274 V279 L280 L281W259-V277 HydrophobicContact CB-CG1 4.27Å; W259-V277 HydrophobicContact CG-CG1 3.94Å; Q262-V277 HydrophobicContact CB-CG1 4.27Å; Q262-V277 HydrophobicContact CB-CG2 3.96Å; L263-V277 HydrophobicContact CB-CG2 4.35Å; L263-V277 HydrophobicContact CD1-CG2 4.49Å; P273-V277 WeakPolarHBondContact O-CG2 3.47Å; P273-V277 PolarHBondContact O-N 2.85Å; Y274-V277 PolarHBondContact O-N 3.48Å; V277-V279 PolarHBondContact O-N 2.98Å; V277-L280 WeakPolarHBondContact O-CB 2.9Å; V277-L280 PolarHBondContact O-N 3.17Å; V277-L281 PolarHBondContact O-N 3.39Å
278T94.1Very high93.9Very high2 Ų235.6 Ų35.61%0.01220%0.195CC..Hα-helixtrans-61.6-45.4175.4-57.80000111.1Y274 E275 V276 L280 L281 I282 M330 K341 L345Y274-T278 VanDerWaalsContact O-CB 3.26Å; Y274-T278 WeakPolarHBondContact O-CB 3.47Å; Y274-T278 PolarHBondContact O-N 3.29Å; Y274-T278 PolarHBondContact O-OG1 3.08Å; E275-T278 PolarHBondContact O-N 3.31Å; V276-T278 VanDerWaalsContact C-N 3.34Å; V276-T278 PolarHBondContact O-N 2.81Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 3.36Å; T278-L281 PolarHBondContact O-N 3.16Å; T278-I282 HydrophobicContact CG2-CD1 4.02Å; T278-I282 VanDerWaalsContact O-CG1 3.29Å; T278-I282 WeakPolarHBondContact O-CG1 3.33Å; T278-I282 PolarHBondContact O-N 3.4Å; T278-M330 HydrophobicContact CG2-CE 4.35Å; T278-M330 WeakPolarHBondContact OG1-CE 3.37Å; T278-K341 HydrophobicContact CG2-CB 3.96Å; T278-L345 HydrophobicContact CG2-CB 4.16Å; T278-L345 HydrophobicContact CG2-CD2 4.08Å
279V95.4Very high93.9Very high21 Ų2135.8 Ų35.813%0.12720%0.202CC..Hα-helixtrans-64.7-37.5176.5172.40000111.5Y223 E275 V276 V277 L281 I282 Q283 K341Y223-V279 HydrophobicContact CD2-CG1 4.36Å; Y223-V279 HydrophobicContact CE1-CB 4.11Å; Y223-V279 HydrophobicContact CE1-CG1 3.94Å; Y223-V279 HydrophobicContact CE2-CG1 3.74Å; E275-V279 HydrophobicContact CG-CG2 4.43Å; E275-V279 WeakPolarHBondContact O-CB 3.45Å; E275-V279 VanDerWaalsContact O-CG2 3.27Å; E275-V279 WeakPolarHBondContact O-CG2 3.47Å; E275-V279 PolarHBondContact O-N 3.26Å; V276-V279 PolarHBondContact O-N 3.38Å; V277-V279 PolarHBondContact O-N 2.98Å; V279-L281 PolarHBondContact O-N 2.94Å; V279-I282 PolarHBondContact O-N 2.87Å; V279-Q283 HydrophobicContact CG1-CG 4.25Å; V279-Q283 WeakPolarHBondContact O-CB 3.32Å; V279-Q283 WeakPolarHBondContact O-CG 3.43Å; V279-Q283 PolarHBondContact O-N 2.69Å; V279-K341 HydrophobicContact CG2-CD 4.18Å; V279-K341 HydrophobicContact CG2-CG 4.2Å
280L96.4Very high93.9Very high1 Ų137.4 Ų37.41%0.00521%0.213CC..Hα-helixtrans-58.3-46.8173.4175.663.7000111.5Y222 Y223 H226 K227 Q262 V276 V277 T278 Q283 T284Y222-L280 HydrophobicContact CE1-CD2 4.35Å; Y223-L280 HydrophobicContact CD1-CB 3.98Å; Y223-L280 HydrophobicContact CD1-CD1 4.24Å; Y223-L280 HydrophobicContact CE1-CB 4.13Å; H226-L280 HydrophobicContact CB-CD1 3.76Å; H226-L280 HydrophobicContact CB-CD2 3.95Å; K227-L280 HydrophobicContact CB-CD1 4.3Å; Q262-L280 HydrophobicContact CG-CD2 4.28Å; V276-L280 PolarHBondContact O-N 3.34Å; V277-L280 WeakPolarHBondContact O-CB 2.9Å; V277-L280 PolarHBondContact O-N 3.17Å; T278-L280 VanDerWaalsContact C-N 3.33Å; T278-L280 PolarHBondContact O-N 3.36Å; L280-Q283 PolarHBondContact O-N 3.29Å; L280-T284 WeakPolarHBondContact O-CB 3.16Å; L280-T284 PolarHBondContact O-N 3.05Å; L280-T284 PolarHBondContact O-OG1 2.79Å
281L96.4Very high94Very high1 Ų138.7 Ų38.71%0.00522%0.224CC..Hα-helixtrans-63.7-45.3177.6-67-173.9000112L255 W259 V277 T278 V279 Q283 T284 L285 L326 L345L255-L281 HydrophobicContact CB-CD2 4.18Å; L255-L281 HydrophobicContact CD2-CD2 3.99Å; W259-L281 HydrophobicContact CB-CD1 4.24Å; W259-L281 HydrophobicContact CG-CD1 4.25Å; V277-L281 PolarHBondContact O-N 3.39Å; T278-L281 PolarHBondContact O-N 3.16Å; V279-L281 PolarHBondContact O-N 2.94Å; L281-Q283 PolarHBondContact O-N 2.81Å; L281-T284 PolarHBondContact O-N 2.95Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 3.47Å; L281-L326 HydrophobicContact CD1-CD1 4.33Å; L281-L326 HydrophobicContact CD1-CD2 4.17Å; L281-L345 HydrophobicContact CB-CD1 3.83Å; L281-L345 HydrophobicContact CD1-CD2 4.2Å
282I96.4Very high94.4Very high29 Ų2930.2 Ų30.215%0.14919%0.187CC..Hα-helixtrans-57-50.6177.4-67.1161.6000110.6T278 V279 T284 L285 G286 K341 E344 L345T278-I282 HydrophobicContact CG2-CD1 4.02Å; T278-I282 VanDerWaalsContact O-CG1 3.29Å; T278-I282 WeakPolarHBondContact O-CG1 3.33Å; T278-I282 PolarHBondContact O-N 3.4Å; V279-I282 PolarHBondContact O-N 2.87Å; I282-T284 VanDerWaalsContact C-N 3.28Å; I282-T284 PolarHBondContact O-N 3.41Å; I282-L285 PolarHBondContact O-N 3.38Å; I282-G286 PolarHBondContact O-N 3.05Å; I282-K341 HydrophobicContact CD1-CB 4.42Å; I282-K341 WeakPolarHBondContact CD1-O 3.23Å; I282-E344 HydrophobicContact CD1-CB 3.75Å; I282-E344 HydrophobicContact CG1-CB 4.43Å; I282-L345 HydrophobicContact CD1-CB 4.18Å; I282-L345 HydrophobicContact CG1-CB 3.77Å; I282-L345 HydrophobicContact CG1-CD1 4.08Å
283Q96.3Very high94.7Very high65 Ų6528.6 Ų28.630%0.30418%0.182SC..Hα-helixtrans-66.4-32.2-179.6-69.7-173.125.400112.4K227 V279 L280 L281 A287K227-Q283 HydrophobicContact CD-CB 3.97Å; V279-Q283 HydrophobicContact CG1-CG 4.25Å; V279-Q283 WeakPolarHBondContact O-CB 3.32Å; V279-Q283 WeakPolarHBondContact O-CG 3.43Å; V279-Q283 PolarHBondContact O-N 2.69Å; L280-Q283 PolarHBondContact O-N 3.29Å; L281-Q283 PolarHBondContact O-N 2.81Å; Q283-A287 WeakPolarHBondContact O-CB 3.45Å; Q283-A287 PolarHBondContact O-N 3.42Å
284T96.8Very high94.9Very high0 Ų031 Ų310%020%0.196CC..Hα-helixtrans-67.7-52.5176.6-58.50000110.7L230 V231 F251 L255 L280 L281 I282 G286 A287 M288L230-T284 HydrophobicContact CB-CG2 3.5Å; L230-T284 HydrophobicContact CD1-CG2 3.92Å; L230-T284 HydrophobicContact CG-CG2 4.36Å; V231-T284 HydrophobicContact CG2-CG2 4.44Å; F251-T284 HydrophobicContact CZ-CG2 4.09Å; L255-T284 HydrophobicContact CD2-CG2 3.99Å; L280-T284 WeakPolarHBondContact O-CB 3.16Å; L280-T284 PolarHBondContact O-N 3.05Å; L280-T284 PolarHBondContact O-OG1 2.79Å; L281-T284 PolarHBondContact O-N 2.95Å; I282-T284 VanDerWaalsContact C-N 3.28Å; I282-T284 PolarHBondContact O-N 3.41Å; T284-G286 VanDerWaalsContact C-N 3.28Å; T284-G286 PolarHBondContact O-N 3.48Å; T284-A287 PolarHBondContact O-N 3.21Å; T284-A287 VanDerWaalsContact O-N 3.08Å; T284-M288 WeakPolarHBondContact O-CG 3.35Å; T284-M288 PolarHBondContact O-N 3.44Å; T284-M288 VanDerWaalsContact O-N 3.15Å
285L95.6Very high95.1Very high10 Ų1030.1 Ų30.15%0.05219%0.194CC..Hα-helixtrans-58-40.6176.8-68.8171.4000111.7F251 Y252 L255 L281 I282 A287 M288 I292 L345 A348F251-L285 HydrophobicContact CE1-CD2 4.5Å; Y252-L285 HydrophobicContact CE1-CD2 4.33Å; L255-L285 HydrophobicContact CD1-CD2 3.76Å; L255-L285 HydrophobicContact CD1-CG 4.33Å; L281-L285 WeakPolarHBondContact O-CG 3.35Å; L281-L285 PolarHBondContact O-N 3.47Å; I282-L285 PolarHBondContact O-N 3.38Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.17Å; L285-M288 HydrophobicContact CD2-SD 3.84Å; L285-I292 HydrophobicContact CD2-CD1 4.12Å; L285-L345 HydrophobicContact CD1-CD1 3.82Å; L285-A348 HydrophobicContact CB-CB 4.42Å; L285-A348 HydrophobicContact CD1-CB 4.21Å
286G94.8Very high95.3Very high68 Ų6827.4 Ų27.470%0.70118%0.181SC*.Hα-helixtrans-71.1-22177.300000115I282 T284I282-G286 PolarHBondContact O-N 3.05Å; T284-G286 VanDerWaalsContact C-N 3.28Å; T284-G286 PolarHBondContact O-N 3.48Å
287A95.6Very high95.4Very high33 Ų3328.8 Ų28.827%0.27319%0.192SC..THydrogen-bonded Turntrans-101.64.2-179.900000113.6K227 V231 Q283 T284 L285 V289K227-A287 HydrophobicContact CD-CB 3.9Å; K227-A287 HydrophobicContact CG-CB 4.41Å; V231-A287 HydrophobicContact CG2-CB 4.15Å; Q283-A287 WeakPolarHBondContact O-CB 3.45Å; Q283-A287 PolarHBondContact O-N 3.42Å; T284-A287 PolarHBondContact O-N 3.21Å; T284-A287 VanDerWaalsContact O-N 3.08Å; L285-A287 VanDerWaalsContact C-N 3.33Å; L285-A287 PolarHBondContact O-N 3.17Å; A287-V289 PolarHBondContact O-N 3.19Å
288M93.8Very high95.4Very high4 Ų430.9 Ų30.92%0.0220%0.204CC..  trans-59.8131.3176.1-70.1176.774.900110.9W234 F251 T284 L285 P290 S291 I292W234-M288 HydrophobicContact CB-CE 4.47Å; W234-M288 HydrophobicContact CD2-CE 3.24Å; W234-M288 HydrophobicContact CE3-CE 3.67Å; W234-M288 HydrophobicContact CG-CE 3.61Å; W234-M288 HydrophobicContact CG-CG 4.44Å; W234-M288 HydrophobicContact CH2-CE 4.12Å; W234-M288 HydrophobicContact CZ2-CE 3.73Å; W234-M288 HydrophobicContact CZ3-CE 4.08Å; F251-M288 HydrophobicContact CD1-CE 3.63Å; F251-M288 HydrophobicContact CD1-SD 4.26Å; F251-M288 HydrophobicContact CE1-CE 3.41Å; F251-M288 VanDerWaalsContact CE1-CE 3.41Å; F251-M288 HydrophobicContact CE1-CG 4.24Å; F251-M288 HydrophobicContact CE1-SD 3.53Å; F251-M288 VanDerWaalsContact CE1-SD 3.53Å; F251-M288 HydrophobicContact CZ-CE 4.21Å; F251-M288 HydrophobicContact CZ-CG 4.42Å; F251-M288 HydrophobicContact CZ-SD 4.28Å; T284-M288 WeakPolarHBondContact O-CG 3.35Å; T284-M288 PolarHBondContact O-N 3.44Å; T284-M288 VanDerWaalsContact O-N 3.15Å; L285-M288 HydrophobicContact CD2-SD 3.84Å; M288-P290 CarbonylContact C-O 3.57Å; M288-P290 CarbonylContact O-C 3.59Å; M288-S291 VanDerWaalsContact O-CA 3.3Å; M288-S291 WeakPolarHBondContact O-CA 3.39Å; M288-S291 PolarHBondContact O-N 3.24Å; M288-I292 HydrophobicContact CE-CG1 4.25Å; M288-I292 HydrophobicContact SD-CD1 4.12Å; M288-I292 HydrophobicContact SD-CG1 3.97Å
289V93.3Very high95.4Very high95 Ų9531.6 Ų31.658%0.57621%0.21SC*.SBendtrans-131.8116.1172.7-177.60000108A287A287-V289 PolarHBondContact O-N 3.19Å
290P94.4Very high95.3Very high46 Ų4631.1 Ų31.130%0.29921%0.207SC..SBendcis-63149.4-527.9-34.9000112.3W234 M288 V294 C295W234-P290 HydrophobicContact CZ2-CG 4.45Å; W234-P290 PolarHBondContact NE1-O 3.08Å; M288-P290 CarbonylContact C-O 3.57Å; M288-P290 CarbonylContact O-C 3.59Å; P290-V294 HydrophobicContact CB-CG1 4.25Å; P290-C295 VanDerWaalsContact CG-SG 3.55Å
291S95.9Very high95.1Very high41 Ų4138.5 Ų38.529%0.28724%0.241SC..  trans-77.2156.4178.666.40000111.2M288 P293 V294 C295M288-S291 VanDerWaalsContact O-CA 3.3Å; M288-S291 WeakPolarHBondContact O-CA 3.39Å; M288-S291 PolarHBondContact O-N 3.24Å; S291-P293 VanDerWaalsContact C-N 3.34Å; S291-V294 PolarHBondContact O-N 3.18Å; S291-V294 WeakPolarHBondContact OG-CG2 3.49Å; S291-C295 PolarHBondContact O-N 3.42Å; S291-C295 PolarHBondContact O-SG 3.04Å; S291-C295 VanDerWaalsContact O-SG 3.4Å
292I95.4Very high94.9Very high4 Ų448.4 Ų48.42%0.02128%0.279CS..Hα-helixtrans-51.6-47.2179.3-59.9171.3000111.8L285 M288 V294 C295 L296 P352L285-I292 HydrophobicContact CD2-CD1 4.12Å; M288-I292 HydrophobicContact CE-CG1 4.25Å; M288-I292 HydrophobicContact SD-CD1 4.12Å; M288-I292 HydrophobicContact SD-CG1 3.97Å; I292-V294 VanDerWaalsContact C-N 3.31Å; I292-V294 PolarHBondContact O-N 3.5Å; I292-C295 WeakPolarHBondContact O-CB 3.43Å; I292-C295 PolarHBondContact O-N 3.45Å; I292-L296 HydrophobicContact CG2-CD1 3.98Å; I292-L296 HydrophobicContact CG2-CG 4.12Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 3.21Å; I292-P352 HydrophobicContact CB-CB 4.28Å; I292-P352 HydrophobicContact CB-CG 4.19Å; I292-P352 HydrophobicContact CG2-CB 3.68Å; I292-P352 HydrophobicContact CG2-CG 3.98Å
293P96.2Very high94.8Very high65 Ų6547.6 Ų47.642%0.42228%0.276SS..Hα-helixtrans-57.9-39176.7-25.535000114.1S291 L296 S297 P352S291-P293 VanDerWaalsContact C-N 3.34Å; P293-L296 PolarHBondContact O-N 2.94Å; P293-S297 WeakPolarHBondContact O-CB 3.24Å; P293-S297 PolarHBondContact O-N 3.19Å; P293-S297 PolarHBondContact O-OG 3.07Å; P293-P352 HydrophobicContact CG-CB 4.05Å; P293-P352 HydrophobicContact CG-CG 4.22Å
294V95.9Very high94.5Very high70 Ų7047.7 Ų47.742%0.42428%0.282SS..Hα-helixtrans-69.6-39.2178.11730000111P290 S291 I292 S297 T298P290-V294 HydrophobicContact CB-CG1 4.25Å; S291-V294 PolarHBondContact O-N 3.18Å; S291-V294 WeakPolarHBondContact OG-CG2 3.49Å; I292-V294 VanDerWaalsContact C-N 3.31Å; I292-V294 PolarHBondContact O-N 3.5Å; V294-S297 PolarHBondContact O-OG 3.4Å; V294-T298 WeakPolarHBondContact O-CB 3.47Å; V294-T298 PolarHBondContact O-N 2.89Å; V294-T298 PolarHBondContact O-OG1 2.98Å
295C95.2Very high94.1Very high11 Ų1152.6 Ų52.67%0.07431%0.305CS..Hα-helixtrans-62.5-46.4174.1-66.50000111.6L244 P290 S291 I292 T298 A299L244-C295 HydrophobicContact CD1-CB 3.84Å; L244-C295 HydrophobicContact CD2-CB 3.96Å; L244-C295 WeakPolarHBondContact CD2-O 3.22Å; P290-C295 VanDerWaalsContact CG-SG 3.55Å; S291-C295 PolarHBondContact O-N 3.42Å; S291-C295 PolarHBondContact O-SG 3.04Å; S291-C295 VanDerWaalsContact O-SG 3.4Å; I292-C295 WeakPolarHBondContact O-CB 3.43Å; I292-C295 PolarHBondContact O-N 3.45Å; C295-T298 PolarHBondContact O-N 3.08Å; C295-A299 WeakPolarHBondContact O-CB 3.25Å; C295-A299 PolarHBondContact O-N 3.44Å
296L95.6Very high93.8Very high0 Ų057 Ų570%033%0.326CS..Hα-helixtrans-62-48.1177.4-67.3179.1000111.2I292 P293 T298 A299 M300 L315 P352 Y353 Y356I292-L296 HydrophobicContact CG2-CD1 3.98Å; I292-L296 HydrophobicContact CG2-CG 4.12Å; I292-L296 WeakPolarHBondContact O-CG 3.49Å; I292-L296 PolarHBondContact O-N 3.21Å; P293-L296 PolarHBondContact O-N 2.94Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 2.87Å; L296-A299 PolarHBondContact O-N 2.96Å; L296-M300 WeakPolarHBondContact O-CB 3.45Å; L296-M300 VanDerWaalsContact O-CG 3.23Å; L296-M300 WeakPolarHBondContact O-CG 3.48Å; L296-M300 PolarHBondContact O-N 3.21Å; L296-L315 HydrophobicContact CD2-CB 4.14Å; L296-L315 HydrophobicContact CD2-CD1 3.82Å; L296-P352 HydrophobicContact CD1-CB 3.86Å; L296-Y353 HydrophobicContact CD1-CD1 3.96Å; L296-Y353 HydrophobicContact CD1-CD2 4.33Å; L296-Y353 HydrophobicContact CD1-CE1 3.87Å; L296-Y353 HydrophobicContact CD1-CE2 4.22Å; L296-Y353 HydrophobicContact CD1-CG 4.19Å; L296-Y353 HydrophobicContact CD2-CD1 4.44Å; L296-Y353 HydrophobicContact CD2-CE1 3.71Å; L296-Y353 HydrophobicContact CG-CE1 4.46Å; L296-Y356 HydrophobicContact CB-CE2 3.97Å; L296-Y356 HydrophobicContact CD1-CE2 4.25Å
297S95.5Very high93.6Very high38 Ų3859 Ų5927%0.26632%0.316SS..Hα-helixtrans-60.3-45.3179.269.20000111.7P293 V294 A299 M300 E301 Y356P293-S297 WeakPolarHBondContact O-CB 3.24Å; P293-S297 PolarHBondContact O-N 3.19Å; P293-S297 PolarHBondContact O-OG 3.07Å; V294-S297 PolarHBondContact O-OG 3.4Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 2.99Å; S297-M300 PolarHBondContact O-N 2.68Å; S297-E301 WeakPolarHBondContact O-CB 3.27Å; S297-E301 WeakPolarHBondContact O-CG 3.35Å; S297-E301 PolarHBondContact O-N 3.41Å; S297-Y356 WeakPolarHBondContact CA-OH 3.46Å; S297-Y356 PolarHBondContact N-OH 2.85Å
298T94.2Very high93.5Very high44 Ų4460.9 Ų60.927%0.2732%0.317SS..Hα-helixtrans-62.7-40.9178-53.70000111.7V294 C295 L296 R302V294-T298 WeakPolarHBondContact O-CB 3.47Å; V294-T298 PolarHBondContact O-N 2.89Å; V294-T298 PolarHBondContact O-OG1 2.98Å; C295-T298 PolarHBondContact O-N 3.08Å; L296-T298 VanDerWaalsContact C-N 3.34Å; L296-T298 PolarHBondContact O-N 2.87Å; T298-R302 WeakPolarHBondContact O-CB 3.36Å; T298-R302 VanDerWaalsContact O-CG 3.3Å; T298-R302 WeakPolarHBondContact O-CG 3.12Å; T298-R302 PolarHBondContact O-N 2.82Å; T298-R302 VanDerWaalsContact O-N 3.09Å
299A93.9Very high93.5Very high17 Ų1760.9 Ų60.914%0.1432%0.317CS..Hα-helixtrans-65.6-42176.200000111.9L244 C295 L296 S297 R302 A303 L315L244-A299 HydrophobicContact CD2-CB 3.69Å; C295-A299 WeakPolarHBondContact O-CB 3.25Å; C295-A299 PolarHBondContact O-N 3.44Å; L296-A299 PolarHBondContact O-N 2.96Å; S297-A299 VanDerWaalsContact C-N 3.34Å; S297-A299 PolarHBondContact O-N 2.99Å; A299-R302 PolarHBondContact O-N 3.33Å; A299-A303 VanDerWaalsContact O-CB 3.29Å; A299-A303 WeakPolarHBondContact O-CB 3.34Å; A299-A303 PolarHBondContact O-N 3.42Å; A299-L315 HydrophobicContact CB-CD1 4.18Å
300M93.9Very high93.5Very high12 Ų1259.1 Ų59.16%0.05930%0.304CS..Hα-helixtrans-68.2-34.1178.9-67.1-60.896.300113.2L296 S297 R308 T311 L312 L315 Y356L296-M300 WeakPolarHBondContact O-CB 3.45Å; L296-M300 VanDerWaalsContact O-CG 3.23Å; L296-M300 WeakPolarHBondContact O-CG 3.48Å; L296-M300 PolarHBondContact O-N 3.21Å; S297-M300 PolarHBondContact O-N 2.68Å; M300-R308 HydrophobicContact CB-CG 4.44Å; M300-R308 HydrophobicContact CE-CG 4.46Å; M300-R308 PolarHBondContact O-NE 3.01Å; M300-R308 HydrophobicContact SD-CG 3.53Å; M300-R308 VanDerWaalsContact SD-CG 3.53Å; M300-T311 HydrophobicContact CE-CG2 3.64Å; M300-L312 HydrophobicContact CE-CB 4.12Å; M300-L312 HydrophobicContact SD-CB 3.98Å; M300-L312 HydrophobicContact SD-CD1 4.42Å; M300-L315 HydrophobicContact CE-CD1 4.37Å; M300-Y356 HydrophobicContact CB-CE1 4.38Å; M300-Y356 HydrophobicContact CG-CD1 4.37Å; M300-Y356 HydrophobicContact CG-CE1 3.76Å
301E92.9Very high93.5Very high155 Ų15558.8 Ų58.872%0.72430%0.301SS*.Hα-helixtrans-71-38.8175.1-75.5173.2-170.900112.4S297S297-E301 WeakPolarHBondContact O-CB 3.27Å; S297-E301 WeakPolarHBondContact O-CG 3.35Å; S297-E301 PolarHBondContact O-N 3.41Å
302R92.2Very high93.5Very high210 Ų21056.8 Ų56.879%0.79229%0.287SS*.Hα-helixtrans-77-30.5178.7-71.3178.2-176.9178.32.6113.3T298 A299T298-R302 WeakPolarHBondContact O-CB 3.36Å; T298-R302 VanDerWaalsContact O-CG 3.3Å; T298-R302 WeakPolarHBondContact O-CG 3.12Å; T298-R302 PolarHBondContact O-N 2.82Å; T298-R302 VanDerWaalsContact O-N 3.09Å; A299-R302 PolarHBondContact O-N 3.33Å
303A92.4Very high93.5Very high11 Ų1157.7 Ų57.79%0.09129%0.292CS..SBendtrans-67.1134.9-178.200000111.1A299 R308A299-A303 VanDerWaalsContact O-CB 3.29Å; A299-A303 WeakPolarHBondContact O-CB 3.34Å; A299-A303 PolarHBondContact O-N 3.42Å; A303-R308 HydrophobicContact CB-CB 4.37Å
304P91.6Very high93.5Very high67 Ų6759.7 Ų59.744%0.43530%0.296SS..  trans-61.3150.5171.127.7-32.6000109.4E306 Q307 R308P304-E306 PolarHBondContact O-N 3.46Å; P304-Q307 HydrophobicContact CG-CB 3.98Å; P304-Q307 HydrophobicContact CG-CG 3.99Å; P304-Q307 PolarHBondContact O-N 2.85Å; P304-R308 PolarHBondContact O-N 3.44Å
305Q87.9Confident93.5Very high103 Ų10356.5 Ų56.548%0.48128%0.276SS..THydrogen-bonded Turntrans-55.3-33.7-172.8-170.7174.9-9.600112.9I370Q305-I370 HydrophobicContact CB-CD1 4.21Å; Q305-I370 HydrophobicContact CG-CD1 3.76Å
306E88.8Confident93.5Very high103 Ų10356.7 Ų56.748%0.48128%0.276SS..THydrogen-bonded Turntrans-66.6-35.6-179.8-52.3-174.317400113.2P304 H367 I370P304-E306 PolarHBondContact O-N 3.46Å; E306-H367 PolarHBondContact O-CE1 3.31Å; E306-H367 PolarHBondContact O-ND1 2.76Å; E306-I370 HydrophobicContact CG-CD1 4.11Å; E306-I370 HydrophobicContact CG-CG2 3.65Å; E306-I370 WeakPolarHBondContact OE1-CG2 3.31Å
307Q90.6Very high93.5Very high109 Ų10962 Ų6251%0.50930%0.3SS..THydrogen-bonded Turntrans-103.2-4.8-173.7-61.1174.9-800113P304 L309 D310 T311P304-Q307 HydrophobicContact CG-CB 3.98Å; P304-Q307 HydrophobicContact CG-CG 3.99Å; P304-Q307 PolarHBondContact O-N 2.85Å; Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.46Å; Q307-D310 PolarHBondContact O-N 3.34Å; Q307-T311 WeakPolarHBondContact O-CB 3.16Å; Q307-T311 PolarHBondContact O-N 3.03Å; Q307-T311 PolarHBondContact O-OG1 3.36Å
308R93.2Very high93.6Very high74 Ų7461.1 Ų61.128%0.27929%0.294SS..Hα-helixtrans-57-44.1-176.4-173.1177.9-67.1139.75.4111.9M300 A303 P304 L312M300-R308 HydrophobicContact CB-CG 4.44Å; M300-R308 HydrophobicContact CE-CG 4.46Å; M300-R308 PolarHBondContact O-NE 3.01Å; M300-R308 HydrophobicContact SD-CG 3.53Å; M300-R308 VanDerWaalsContact SD-CG 3.53Å; A303-R308 HydrophobicContact CB-CB 4.37Å; P304-R308 PolarHBondContact O-N 3.44Å; R308-L312 PolarHBondContact O-N 2.88Å
309L94.3Very high93.7Very high3 Ų359 Ų592%0.01628%0.281CS..Hα-helixtrans-67.5-41.8177.9-179.261.8000112.3Q307 L312 L313 Y360 L363 E364 H367 L410Q307-L309 VanDerWaalsContact C-N 3.3Å; Q307-L309 PolarHBondContact O-N 3.46Å; L309-L312 WeakPolarHBondContact O-CB 3.29Å; L309-L312 PolarHBondContact O-N 3.09Å; L309-L313 HydrophobicContact CG-CD1 4.15Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 3.39Å; L309-Y360 HydrophobicContact CD1-CD2 4.13Å; L309-Y360 HydrophobicContact CD1-CE2 4Å; L309-Y360 HydrophobicContact CD2-CE2 4.48Å; L309-L363 HydrophobicContact CD1-CB 4.34Å; L309-E364 HydrophobicContact CD2-CB 4.45Å; L309-E364 WeakPolarHBondContact CD2-OE2 3.47Å; L309-H367 HydrophobicContact CB-CB 4.45Å; L309-H367 HydrophobicContact CD2-CB 4.06Å; L309-L410 HydrophobicContact CD1-CD2 4.45Å
310D93.9Very high93.7Very high59 Ų5959.1 Ų59.132%0.31628%0.281SS..Hα-helixtrans-64.6-42.2178.3-63.1-43.9000111.2Q307 L312 L313 E314 H367Q307-D310 PolarHBondContact O-N 3.34Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 3.48Å; D310-L313 WeakPolarHBondContact O-CB 3.42Å; D310-L313 PolarHBondContact O-N 2.71Å; D310-E314 WeakPolarHBondContact O-CG 3.44Å; D310-E314 PolarHBondContact O-N 3.1Å; D310-H367 IonicContact OD2-CE1 2.77Å; D310-H367 PolarHBondContact OD2-CE1 2.99Å
311T94.6Very high93.7Very high38 Ų3861 Ų6123%0.23329%0.293CS..Hα-helixtrans-60.3-42.8174.7-56.40000111M300 Q307 E314 L315M300-T311 HydrophobicContact CE-CG2 3.64Å; Q307-T311 WeakPolarHBondContact O-CB 3.16Å; Q307-T311 PolarHBondContact O-N 3.03Å; Q307-T311 PolarHBondContact O-OG1 3.36Å; T311-E314 PolarHBondContact O-N 2.88Å; T311-L315 HydrophobicContact CG2-CD1 3.95Å; T311-L315 WeakPolarHBondContact O-CD1 3.33Å; T311-L315 VanDerWaalsContact O-CG 3.23Å; T311-L315 WeakPolarHBondContact O-CG 3.23Å; T311-L315 PolarHBondContact O-N 2.81Å
312L95.9Very high93.9Very high0 Ų054 Ų540%026%0.261CS..Hα-helixtrans-63.9-41.8176.4179.967.2000111.9M300 R308 L309 D310 L315 H316 Y353 Y356 L363 L410M300-L312 HydrophobicContact CE-CB 4.12Å; M300-L312 HydrophobicContact SD-CB 3.98Å; M300-L312 HydrophobicContact SD-CD1 4.42Å; R308-L312 PolarHBondContact O-N 2.88Å; L309-L312 WeakPolarHBondContact O-CB 3.29Å; L309-L312 PolarHBondContact O-N 3.09Å; D310-L312 VanDerWaalsContact C-N 3.32Å; D310-L312 PolarHBondContact O-N 3.48Å; L312-L315 PolarHBondContact O-N 3.13Å; L312-H316 VanDerWaalsContact O-CB 3.3Å; L312-H316 WeakPolarHBondContact O-CB 3.38Å; L312-H316 PolarHBondContact O-N 3.32Å; L312-Y353 HydrophobicContact CD1-CD1 4.08Å; L312-Y356 HydrophobicContact CD1-CD2 4.1Å; L312-Y356 HydrophobicContact CD1-CG 4.04Å; L312-Y356 HydrophobicContact CD2-CG 4.31Å; L312-L363 HydrophobicContact CD2-CD1 4.07Å; L312-L410 HydrophobicContact CD2-CD1 4.36Å; L312-L410 HydrophobicContact CD2-CD2 3.85Å; L312-L410 HydrophobicContact CG-CD1 4.17Å; L312-L410 HydrophobicContact CG-CD2 4.48Å
313L95.4Very high94Very high22 Ų2244.1 Ų44.112%0.11522%0.224CC..Hα-helixtrans-61.8-43.8177.5-79.9164.3000111.8L309 D310 H317 R406 K409 L410L309-L313 HydrophobicContact CG-CD1 4.15Å; L309-L313 WeakPolarHBondContact O-CG 3.34Å; L309-L313 PolarHBondContact O-N 3.39Å; D310-L313 WeakPolarHBondContact O-CB 3.42Å; D310-L313 PolarHBondContact O-N 2.71Å; L313-H317 WeakPolarHBondContact O-CB 3.28Å; L313-H317 PolarHBondContact O-N 3.46Å; L313-R406 HydrophobicContact CD1-CB 3.96Å; L313-R406 HydrophobicContact CD1-CG 3.55Å; L313-K409 HydrophobicContact CD2-CB 3.96Å; L313-L410 HydrophobicContact CD2-CB 3.7Å; L313-L410 HydrophobicContact CD2-CD1 4.43Å
314E95.4Very high94Very high108 Ų10850.6 Ų50.651%0.50525%0.246SC..Hα-helixtrans-61.9-50176.2-74.2-178.3-17200111.7D310 T311 H316 H317 T318D310-E314 WeakPolarHBondContact O-CG 3.44Å; D310-E314 PolarHBondContact O-N 3.1Å; T311-E314 PolarHBondContact O-N 2.88Å; E314-H316 PolarHBondContact O-N 3.2Å; E314-H317 WeakPolarHBondContact O-CB 3.13Å; E314-H317 PolarHBondContact O-N 3.35Å; E314-H317 VanDerWaalsContact O-N 3.17Å; E314-T318 PolarHBondContact O-N 3.18Å; E314-T318 PolarHBondContact O-OG1 3.46Å
315L96.2Very high94.2Very high3 Ų349.5 Ų49.52%0.01624%0.24CC..Hα-helixtrans-62.3-42.5179.7-67167.4000111.7L244 N245 L248 L296 A299 M300 T311 L312 T318 A319 Y353L244-L315 HydrophobicContact CB-CD2 4.32Å; L244-L315 HydrophobicContact CD2-CD1 4.12Å; L244-L315 HydrophobicContact CD2-CD2 3.93Å; L244-L315 HydrophobicContact CG-CD2 3.85Å; N245-L315 HydrophobicContact CB-CD2 4.03Å; L248-L315 HydrophobicContact CD1-CD2 3.88Å; L296-L315 HydrophobicContact CD2-CB 4.14Å; L296-L315 HydrophobicContact CD2-CD1 3.82Å; A299-L315 HydrophobicContact CB-CD1 4.18Å; M300-L315 HydrophobicContact CE-CD1 4.37Å; T311-L315 HydrophobicContact CG2-CD1 3.95Å; T311-L315 WeakPolarHBondContact O-CD1 3.33Å; T311-L315 VanDerWaalsContact O-CG 3.23Å; T311-L315 WeakPolarHBondContact O-CG 3.23Å; T311-L315 PolarHBondContact O-N 2.81Å; L312-L315 PolarHBondContact O-N 3.13Å; L315-T318 PolarHBondContact O-N 3.02Å; L315-A319 PolarHBondContact O-N 3.3Å; L315-Y353 HydrophobicContact CB-CE1 4.14Å; L315-Y353 PolarHBondContact O-OH 2.84Å
316H95.8Very high94.4Very high15 Ų1544.6 Ų44.67%0.06922%0.217CC..Hα-helixtrans-67-37.6175.7178.8-102.2000111.7L312 E314 T318 A319 A320 Y353 Q357 L410L312-H316 VanDerWaalsContact O-CB 3.3Å; L312-H316 WeakPolarHBondContact O-CB 3.38Å; L312-H316 PolarHBondContact O-N 3.32Å; E314-H316 PolarHBondContact O-N 3.2Å; H316-T318 VanDerWaalsContact C-N 3.31Å; H316-T318 PolarHBondContact O-N 3.2Å; H316-A319 PolarHBondContact O-N 3.15Å; H316-A320 VanDerWaalsContact O-CB 3.23Å; H316-A320 WeakPolarHBondContact O-CB 3.17Å; H316-A320 PolarHBondContact O-N 2.91Å; H316-Y353 HydrophobicContact CB-CD1 3.87Å; H316-Y353 HydrophobicContact CB-CE1 3.86Å; H316-Y353 AromaticContact CD2-CG 3.91Å; H316-Q357 PolarHBondContact NE2-NE2 2.87Å; H316-L410 HydrophobicContact CB-CD1 3.64Å; H316-L410 PolarHBondContact CE1-O 3.11Å; H316-L410 VanDerWaalsContact CE1-O 3.31Å
317H95.6Very high94.5Very high110 Ų11040.4 Ų40.451%0.50920%0.2SC..Hα-helixtrans-61.7-40.6177.2-17768.7000112L313 E314 A320 T321L313-H317 WeakPolarHBondContact O-CB 3.28Å; L313-H317 PolarHBondContact O-N 3.46Å; E314-H317 WeakPolarHBondContact O-CB 3.13Å; E314-H317 PolarHBondContact O-N 3.35Å; E314-H317 VanDerWaalsContact O-N 3.17Å; H317-A320 PolarHBondContact O-N 3.19Å; H317-T321 WeakPolarHBondContact O-CB 3.38Å; H317-T321 PolarHBondContact O-N 2.94Å; H317-T321 PolarHBondContact O-OG1 3Å
318T96.5Very high94.6Very high21 Ų2142.3 Ų42.313%0.12921%0.209CC..Hα-helixtrans-63.4-47.9175.7-64.10000111.4N245 L248 A249 Y252 E314 L315 H316 A320 T321 F322N245-T318 WeakPolarHBondContact OD1-CB 3.38Å; N245-T318 PolarHBondContact OD1-OG1 3.4Å; L248-T318 HydrophobicContact CB-CG2 4.33Å; A249-T318 HydrophobicContact CB-CG2 3.8Å; Y252-T318 HydrophobicContact CD2-CG2 3.9Å; Y252-T318 HydrophobicContact CE2-CG2 4.2Å; E314-T318 PolarHBondContact O-N 3.18Å; E314-T318 PolarHBondContact O-OG1 3.46Å; L315-T318 PolarHBondContact O-N 3.02Å; H316-T318 VanDerWaalsContact C-N 3.31Å; H316-T318 PolarHBondContact O-N 3.2Å; T318-A320 PolarHBondContact O-N 3.45Å; T318-T321 PolarHBondContact O-N 3.49Å; T318-F322 PolarHBondContact O-N 3.37Å; T318-F322 VanDerWaalsContact O-N 3.09Å
319A95.8Very high94.4Very high0 Ų039.8 Ų39.80%020%0.204CC..Hα-helixtrans-61.7-42.517400000112.6Y252 L315 H316 T321 F322 G323 L349 Y353Y252-A319 HydrophobicContact CE2-CB 4.03Å; L315-A319 PolarHBondContact O-N 3.3Å; H316-A319 PolarHBondContact O-N 3.15Å; A319-T321 VanDerWaalsContact C-N 3.31Å; A319-T321 PolarHBondContact O-N 3.14Å; A319-F322 PolarHBondContact O-N 3.21Å; A319-G323 PolarHBondContact O-N 3.48Å; A319-L349 HydrophobicContact CB-CD1 4.02Å; A319-Y353 HydrophobicContact CB-CE2 3.74Å
320A93.8Very high94.1Very high18 Ų1839.7 Ų39.715%0.14920%0.203CC..Hα-helixtrans-67.5-31178.700000112.8H316 H317 T318 R324 Y350H316-A320 VanDerWaalsContact O-CB 3.23Å; H316-A320 WeakPolarHBondContact O-CB 3.17Å; H316-A320 PolarHBondContact O-N 2.91Å; H317-A320 PolarHBondContact O-N 3.19Å; T318-A320 PolarHBondContact O-N 3.45Å; A320-R324 WeakPolarHBondContact O-CB 3.49Å; A320-R324 VanDerWaalsContact O-CG 3.28Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 3.24Å; A320-R324 PolarHBondContact O-NE 3.11Å; A320-Y350 HydrophobicContact CB-CE1 4.39Å
321T95.3Very high93.8Very high51 Ų5141.4 Ų41.431%0.31321%0.212SC..Hα-helixtrans-70.2-46.1174.8-60.80000110.6H317 T318 A319 G323 R324 S325H317-T321 WeakPolarHBondContact O-CB 3.38Å; H317-T321 PolarHBondContact O-N 2.94Å; H317-T321 PolarHBondContact O-OG1 3Å; T318-T321 PolarHBondContact O-N 3.49Å; A319-T321 VanDerWaalsContact C-N 3.31Å; A319-T321 PolarHBondContact O-N 3.14Å; T321-G323 PolarHBondContact O-N 2.71Å; T321-R324 PolarHBondContact O-N 3.32Å; T321-R324 PolarHBondContact OG1-NH2 3.14Å; T321-S325 PolarHBondContact O-N 2.9Å; T321-S325 PolarHBondContact O-OG 3.36Å; T321-S325 VanDerWaalsContact O-OG 3.11Å
322F96.4Very high93.2Very high10 Ų1044.3 Ų44.34%0.04423%0.231CC..Hα-helixtrans-57.4-47.6171.8173-117.4000112.5Y252 L255 L256 T318 A319 R324 S325 L326 L349Y252-F322 AromaticContact CD1-CD1 3.8Å; Y252-F322 HydrophobicContact CD1-CD1 3.8Å; Y252-F322 AromaticContact CD1-CE1 3.98Å; Y252-F322 HydrophobicContact CD1-CE1 3.98Å; Y252-F322 HydrophobicContact CD1-CG 4.08Å; Y252-F322 HydrophobicContact CD1-CZ 4.42Å; Y252-F322 HydrophobicContact CD2-CB 3.87Å; Y252-F322 HydrophobicContact CD2-CD1 4.39Å; Y252-F322 HydrophobicContact CD2-CG 4.22Å; Y252-F322 HydrophobicContact CE1-CD1 4.24Å; Y252-F322 HydrophobicContact CE1-CE1 4.43Å; Y252-F322 HydrophobicContact CG-CB 3.86Å; Y252-F322 AromaticContact CG-CD1 3.9Å; Y252-F322 HydrophobicContact CG-CD1 3.9Å; Y252-F322 HydrophobicContact CG-CD2 4.2Å; Y252-F322 HydrophobicContact CG-CE1 4.47Å; Y252-F322 AromaticContact CG-CG 3.73Å; Y252-F322 HydrophobicContact CG-CG 3.73Å; Y252-F322 WeakPolarHBondContact O-CD2 3.27Å; Y252-F322 VanDerWaalsContact O-CE2 3.23Å; Y252-F322 WeakPolarHBondContact O-CE2 3.08Å; L255-F322 HydrophobicContact CB-CE2 3.95Å; L255-F322 HydrophobicContact CB-CZ 3.83Å; L255-F322 HydrophobicContact CD1-CZ 4.06Å; L256-F322 HydrophobicContact CB-CD2 4.35Å; L256-F322 HydrophobicContact CB-CE2 4.05Å; T318-F322 PolarHBondContact O-N 3.37Å; T318-F322 VanDerWaalsContact O-N 3.09Å; A319-F322 PolarHBondContact O-N 3.21Å; F322-R324 PolarHBondContact O-N 2.98Å; F322-S325 PolarHBondContact O-N 3.06Å; F322-L326 HydrophobicContact CD1-CD1 4.18Å; F322-L326 HydrophobicContact CD2-CD1 4.37Å; F322-L326 HydrophobicContact CD2-CG 4.38Å; F322-L326 HydrophobicContact CE1-CD1 3.53Å; F322-L326 HydrophobicContact CE2-CD1 3.75Å; F322-L326 HydrophobicContact CE2-CD2 4.46Å; F322-L326 HydrophobicContact CE2-CG 3.93Å; F322-L326 HydrophobicContact CZ-CD1 3.3Å; F322-L326 HydrophobicContact CZ-CG 4.02Å; F322-L326 PolarHBondContact O-N 3.34Å; F322-L349 HydrophobicContact CD1-CD1 3.77Å; F322-L349 HydrophobicContact CD1-CD2 3.85Å; F322-L349 HydrophobicContact CD1-CG 4.47Å; F322-L349 HydrophobicContact CE1-CD1 4.2Å; F322-L349 HydrophobicContact CE1-CD2 4.38Å
323G94.4Very high92.5Very high1 Ų147.5 Ų47.51%0.0125%0.246CC..Hα-helixtrans-60.7-40.7177.500000113.1A319 T321 L326 A327 W527A319-G323 PolarHBondContact O-N 3.48Å; T321-G323 PolarHBondContact O-N 2.71Å; G323-L326 PolarHBondContact O-N 2.72Å; G323-A327 VanDerWaalsContact O-CB 3.27Å; G323-A327 WeakPolarHBondContact O-CB 3.38Å; G323-A327 PolarHBondContact O-N 2.96Å; G323-W527 WeakPolarHBondContact O-CZ3 3.2Å
324R93.2Very high91.5Very high148 Ų14847.7 Ų47.756%0.55825%0.247SC*.Hα-helixtrans-64.7-41.4174-77.6-177.7-65.4154.61.6112.3A320 T321 F322 A327 Q328A320-R324 WeakPolarHBondContact O-CB 3.49Å; A320-R324 VanDerWaalsContact O-CG 3.28Å; A320-R324 WeakPolarHBondContact O-CG 3.4Å; A320-R324 PolarHBondContact O-N 3.24Å; A320-R324 PolarHBondContact O-NE 3.11Å; T321-R324 PolarHBondContact O-N 3.32Å; T321-R324 PolarHBondContact OG1-NH2 3.14Å; F322-R324 PolarHBondContact O-N 2.98Å; R324-A327 PolarHBondContact O-N 3.46Å; R324-Q328 WeakPolarHBondContact O-CB 3.11Å; R324-Q328 PolarHBondContact O-N 3.15Å
325S94.7Very high90.3Very high44 Ų4446.7 Ų46.731%0.30827%0.266SS..Hα-helixtrans-62.5-45.2176.3-620000111.6T321 F322 Q328 A329T321-S325 PolarHBondContact O-N 2.9Å; T321-S325 PolarHBondContact O-OG 3.36Å; T321-S325 VanDerWaalsContact O-OG 3.11Å; F322-S325 PolarHBondContact O-N 3.06Å; S325-Q328 PolarHBondContact O-N 3.08Å; S325-A329 WeakPolarHBondContact O-CB 3.29Å; S325-A329 PolarHBondContact O-N 2.86Å
326L92.9Very high89.3Confident0 Ų052.8 Ų52.80%029%0.294CS..Hα-helixtrans-63.3-44.6173.7-79.1177.6000112.2L256 W259 L281 F322 G323 Q328 A329 M330 L345 W527L256-L326 HydrophobicContact CD1-CD2 3.68Å; L256-L326 HydrophobicContact CD1-CG 4.09Å; W259-L326 HydrophobicContact CB-CD2 4.37Å; W259-L326 HydrophobicContact CD2-CD2 4.35Å; W259-L326 HydrophobicContact CG-CD2 4.05Å; L281-L326 HydrophobicContact CD1-CD1 4.33Å; L281-L326 HydrophobicContact CD1-CD2 4.17Å; F322-L326 HydrophobicContact CD1-CD1 4.18Å; F322-L326 HydrophobicContact CD2-CD1 4.37Å; F322-L326 HydrophobicContact CD2-CG 4.38Å; F322-L326 HydrophobicContact CE1-CD1 3.53Å; F322-L326 HydrophobicContact CE2-CD1 3.75Å; F322-L326 HydrophobicContact CE2-CD2 4.46Å; F322-L326 HydrophobicContact CE2-CG 3.93Å; F322-L326 HydrophobicContact CZ-CD1 3.3Å; F322-L326 HydrophobicContact CZ-CG 4.02Å; F322-L326 PolarHBondContact O-N 3.34Å; G323-L326 PolarHBondContact O-N 2.72Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-Q328 PolarHBondContact O-N 3.06Å; L326-A329 PolarHBondContact O-N 3.28Å; L326-M330 WeakPolarHBondContact O-CB 3.47Å; L326-M330 WeakPolarHBondContact O-CG 3.17Å; L326-M330 PolarHBondContact O-N 3.42Å; L326-L345 HydrophobicContact CD1-CD2 4.3Å; L326-W527 HydrophobicContact CB-CH2 3.75Å; L326-W527 HydrophobicContact CB-CZ2 3.75Å; L326-W527 HydrophobicContact CD1-CH2 3.85Å; L326-W527 HydrophobicContact CD1-CZ2 4.32Å; L326-W527 HydrophobicContact CG-CH2 4.5Å
327A91.3Very high88.5Confident15 Ų1552.7 Ų52.712%0.12429%0.294CS..Hα-helixtrans-58.4-44.5177.400000111.4G323 R324 M330 L331 W527G323-A327 VanDerWaalsContact O-CB 3.27Å; G323-A327 WeakPolarHBondContact O-CB 3.38Å; G323-A327 PolarHBondContact O-N 2.96Å; R324-A327 PolarHBondContact O-N 3.46Å; A327-M330 PolarHBondContact O-N 3.39Å; A327-L331 WeakPolarHBondContact O-CB 3.28Å; A327-L331 PolarHBondContact O-N 3.3Å; A327-W527 HydrophobicContact CB-CB 3.76Å; A327-W527 HydrophobicContact CB-CD2 3.67Å; A327-W527 HydrophobicContact CB-CE3 4.21Å; A327-W527 HydrophobicContact CB-CG 3.44Å; A327-W527 VanDerWaalsContact CB-CG 3.44Å
328Q91.3Very high88Confident148 Ų14850 Ų5069%0.69228%0.283SS*.Hα-helixtrans-66-39.4177.5-174.5176.12.200112R324 S325 L326 P332R324-Q328 WeakPolarHBondContact O-CB 3.11Å; R324-Q328 PolarHBondContact O-N 3.15Å; S325-Q328 PolarHBondContact O-N 3.08Å; L326-Q328 VanDerWaalsContact C-N 3.31Å; L326-Q328 PolarHBondContact O-N 3.06Å; Q328-P332 WeakPolarHBondContact O-CD 3.41Å
329A89.8Confident87.6Confident22 Ų2252 Ų5218%0.18229%0.293CS..Hα-helixtrans-69.1-34.9177.800000112.6W259 S325 L326W259-A329 HydrophobicContact CE3-CB 4.23Å; W259-A329 HydrophobicContact CH2-CB 3.73Å; W259-A329 HydrophobicContact CZ3-CB 3.54Å; S325-A329 WeakPolarHBondContact O-CB 3.29Å; S325-A329 PolarHBondContact O-N 2.86Å; L326-A329 PolarHBondContact O-N 3.28Å
330M88.8Confident87.3Confident0 Ų058 Ų580%033%0.325CS..Hα-helixtrans-83.7-21.8179.2-71.1-178.2136.300113.9W259 T278 L326 A327 P332 H333 L334 V342 L345 W527W259-M330 HydrophobicContact CH2-CG 4.46Å; W259-M330 HydrophobicContact CZ2-CE 4.49Å; W259-M330 HydrophobicContact CZ2-CG 3.73Å; T278-M330 HydrophobicContact CG2-CE 4.35Å; T278-M330 WeakPolarHBondContact OG1-CE 3.37Å; L326-M330 WeakPolarHBondContact O-CB 3.47Å; L326-M330 WeakPolarHBondContact O-CG 3.17Å; L326-M330 PolarHBondContact O-N 3.42Å; A327-M330 PolarHBondContact O-N 3.39Å; M330-P332 VanDerWaalsContact C-CD 3.47Å; M330-H333 CarbonylContact O-C 3.48Å; M330-H333 PolarHBondContact O-N 3.2Å; M330-H333 VanDerWaalsContact O-N 3.14Å; M330-L334 PolarHBondContact O-N 3.37Å; M330-V342 HydrophobicContact CE-CG2 4.39Å; M330-V342 HydrophobicContact SD-CG1 4.4Å; M330-V342 HydrophobicContact SD-CG2 4.47Å; M330-L345 HydrophobicContact CE-CD2 4.44Å; M330-W527 HydrophobicContact SD-CZ2 4.09Å
331L85.5Confident87.1Confident96 Ų9659.8 Ų59.850%0.50333%0.329SS..G310 helixtrans-55.6-43.7-173.9-169.369.5000114.3A327 H333 L334A327-L331 WeakPolarHBondContact O-CB 3.28Å; A327-L331 PolarHBondContact O-N 3.3Å; L331-H333 PolarHBondContact O-N 3.26Å; L331-L334 PolarHBondContact O-N 2.96Å
332P83.4Confident87Confident98 Ų9857.4 Ų57.464%0.63631%0.314SS*.G310 helixtrans-64.1-23.5-179.1-20.733.6000113.6Q328 M330Q328-P332 WeakPolarHBondContact O-CD 3.41Å; M330-P332 VanDerWaalsContact C-CD 3.47Å
333H80.3Confident86.7Confident68 Ų6859.7 Ų59.732%0.31533%0.327SS..G310 helixtrans-116.520.3-173.7-57.8-74.9000112.3Y274 M330 L331 G335 E336 N337Y274-H333 HydrophobicContact CD1-CB 4.47Å; Y274-H333 HydrophobicContact CE1-CB 3.74Å; Y274-H333 AromaticContact CE1-CG 3.96Å; Y274-H333 HydrophobicContact CE2-CB 4.16Å; Y274-H333 AromaticContact CZ-CD2 3.91Å; Y274-H333 AromaticContact CZ-CG 3.55Å; Y274-H333 PolarHBondContact OH-CD2 3.41Å; Y274-H333 PolarHBondContact OH-CE1 3.26Å; Y274-H333 PolarHBondContact OH-ND1 3.28Å; Y274-H333 PolarHBondContact OH-NE2 3.05Å; M330-H333 CarbonylContact O-C 3.48Å; M330-H333 PolarHBondContact O-N 3.2Å; M330-H333 VanDerWaalsContact O-N 3.14Å; L331-H333 PolarHBondContact O-N 3.26Å; H333-G335 PolarHBondContact O-N 3.41Å; H333-G335 VanDerWaalsContact O-N 3.12Å; H333-E336 IonicContact ND1-OE2 3.05Å; H333-E336 PolarHBondContact O-N 3.49Å; H333-N337 PolarHBondContact O-N 3.06Å; H333-N337 PolarHBondContact O-ND2 3.31Å
334L74.4Confident86.7Confident26 Ų2663.6 Ų63.614%0.13635%0.345CS..THydrogen-bonded Turntrans-59.4-29.3-174.1-145.895.7000113.3M330 L331 E336 N337 L339 N525M330-L334 PolarHBondContact O-N 3.37Å; L331-L334 PolarHBondContact O-N 2.96Å; L334-E336 VanDerWaalsContact C-N 3.32Å; L334-N337 PolarHBondContact O-N 3.47Å; L334-L339 HydrophobicContact CD2-CD2 4.12Å; L334-L339 HydrophobicContact CG-CD2 4.1Å; L334-N525 HydrophobicContact CD2-CB 4.39Å
335G71.1Confident86.7Confident86 Ų8656.6 Ų56.689%0.88732%0.319SS*.THydrogen-bonded Turntrans-73.4-18.7175.800000114.7H333H333-G335 PolarHBondContact O-N 3.41Å; H333-G335 VanDerWaalsContact O-N 3.12Å
336E75.4Confident86.7Confident131 Ų13154.5 Ų54.561%0.61230%0.304SS*.THydrogen-bonded Turntrans-93.1-10.9176.3-62.7172.9-172.600111.8Y274 H333 L334Y274-E336 HydrophobicContact CD2-CB 4.27Å; Y274-E336 HydrophobicContact CE2-CB 4.37Å; Y274-E336 WeakPolarHBondContact CE2-OE2 3.37Å; H333-E336 IonicContact ND1-OE2 3.05Å; H333-E336 PolarHBondContact O-N 3.49Å; L334-E336 VanDerWaalsContact C-N 3.32Å
337N78.3Confident86.7Confident13 Ų1355.4 Ų55.47%0.0731%0.31CS..SBendtrans-86.7139.2-177.4-70.3-29.6000112.1Y274 H333 L334 L339 V342Y274-N337 WeakPolarHBondContact CB-OD1 3.47Å; Y274-N337 WeakPolarHBondContact CD1-OD1 3.25Å; H333-N337 PolarHBondContact O-N 3.06Å; H333-N337 PolarHBondContact O-ND2 3.31Å; L334-N337 PolarHBondContact O-N 3.47Å; N337-L339 PolarHBondContact O-N 2.75Å; N337-V342 HydrophobicContact CB-CG2 3.97Å
338N86.2Confident86.9Confident53 Ų5356.2 Ų56.228%0.28332%0.317SS..  trans-70.199.4163.9-173.9-16.6000109.4E275 L340 K341 V342E275-N338 HydrophobicContact CG-CB 4.19Å; E275-N338 PolarHBondContact OE1-ND2 3.2Å; N338-L340 PolarHBondContact O-N 3.44Å; N338-L340 VanDerWaalsContact O-N 3.14Å; N338-L340 WeakPolarHBondContact OD1-CB 3.23Å; N338-L340 PolarHBondContact OD1-N 3.09Å; N338-K341 HydrophobicContact CB-CB 4.3Å; N338-K341 HydrophobicContact CB-CG 4.2Å; N338-K341 PolarHBondContact O-N 2.94Å; N338-V342 PolarHBondContact O-N 3.09Å
339L87.1Confident87.1Confident63 Ų6349.2 Ų49.233%0.3328%0.284SS..Hα-helixtrans-58.6-27.6-176-61.8179.6000113.5L334 N337 V342 N343 P526L334-L339 HydrophobicContact CD2-CD2 4.12Å; L334-L339 HydrophobicContact CG-CD2 4.1Å; N337-L339 PolarHBondContact O-N 2.75Å; L339-V342 PolarHBondContact O-N 2.82Å; L339-N343 WeakPolarHBondContact O-CB 3.45Å; L339-N343 PolarHBondContact O-N 2.97Å; L339-P526 HydrophobicContact CB-CG 4.44Å; L339-P526 HydrophobicContact CD2-CG 4.22Å
340L89.3Confident87.3Confident127 Ų12749.3 Ų49.367%0.66528%0.28SS*.Hα-helixtrans-65.5-42.4174.4-63.6175.1000111N338 N343 E344N338-L340 PolarHBondContact O-N 3.44Å; N338-L340 VanDerWaalsContact O-N 3.14Å; N338-L340 WeakPolarHBondContact OD1-CB 3.23Å; N338-L340 PolarHBondContact OD1-N 3.09Å; L340-N343 PolarHBondContact O-N 3.2Å; L340-E344 PolarHBondContact O-N 3.46Å
341K90.8Very high87.5Confident55 Ų5552.5 Ų52.524%0.23930%0.297CS..Hα-helixtrans-69.3-38175.9-64.3-50-172.7-171.50112.1E275 T278 V279 I282 N338 N343 E344 L345E275-K341 HydrophobicContact CG-CG 4.27Å; T278-K341 HydrophobicContact CG2-CB 3.96Å; V279-K341 HydrophobicContact CG2-CD 4.18Å; V279-K341 HydrophobicContact CG2-CG 4.2Å; I282-K341 HydrophobicContact CD1-CB 4.42Å; I282-K341 WeakPolarHBondContact CD1-O 3.23Å; N338-K341 HydrophobicContact CB-CB 4.3Å; N338-K341 HydrophobicContact CB-CG 4.2Å; N338-K341 PolarHBondContact O-N 2.94Å; K341-N343 VanDerWaalsContact C-N 3.27Å; K341-N343 PolarHBondContact O-N 3.29Å; K341-E344 WeakPolarHBondContact CD-OE2 3.39Å; K341-E344 IonicContact NZ-OE1 2.89Å; K341-E344 PolarHBondContact NZ-OE1 2.93Å; K341-E344 IonicContact NZ-OE2 3.98Å; K341-E344 PolarHBondContact NZ-OE2 3.23Å; K341-E344 PolarHBondContact O-N 3.11Å; K341-L345 PolarHBondContact O-N 3.38Å
342V91.6Very high88Confident1 Ų148.9 Ų48.91%0.00628%0.279CS..Hα-helixtrans-60.5-40.7172.4-177.70000110.6M330 N337 N338 L339 L345 V346 P526M330-V342 HydrophobicContact CE-CG2 4.39Å; M330-V342 HydrophobicContact SD-CG1 4.4Å; M330-V342 HydrophobicContact SD-CG2 4.47Å; N337-V342 HydrophobicContact CB-CG2 3.97Å; N338-V342 PolarHBondContact O-N 3.09Å; L339-V342 PolarHBondContact O-N 2.82Å; V342-L345 WeakPolarHBondContact O-CB 3.41Å; V342-L345 PolarHBondContact O-N 2.87Å; V342-V346 HydrophobicContact CG1-CG2 4.5Å; V342-V346 VanDerWaalsContact O-CG2 3.24Å; V342-V346 WeakPolarHBondContact O-CG2 3.38Å; V342-V346 PolarHBondContact O-N 2.9Å; V342-P526 HydrophobicContact CB-CG 4.18Å; V342-P526 HydrophobicContact CG1-CB 4.06Å; V342-P526 HydrophobicContact CG1-CG 4Å
343N91.3Very high88.6Confident58 Ų5844.2 Ų44.231%0.3125%0.249SC..Hα-helixtrans-66.6-38.6175.9-169.413.2000113.1L339 L340 K341 L345 V346 S347 P526 R535L339-N343 WeakPolarHBondContact O-CB 3.45Å; L339-N343 PolarHBondContact O-N 2.97Å; L340-N343 PolarHBondContact O-N 3.2Å; K341-N343 VanDerWaalsContact C-N 3.27Å; K341-N343 PolarHBondContact O-N 3.29Å; N343-L345 VanDerWaalsContact C-N 3.31Å; N343-L345 PolarHBondContact O-N 2.98Å; N343-V346 PolarHBondContact O-N 3.47Å; N343-S347 WeakPolarHBondContact O-CB 3.46Å; N343-S347 PolarHBondContact O-N 3.2Å; N343-S347 PolarHBondContact O-OG 3.11Å; N343-P526 HydrophobicContact CB-CB 4.25Å; N343-R535 PolarHBondContact OD1-NH2 3.42Å
344E93.3Very high89.2Confident84 Ų8443.2 Ų43.239%0.39324%0.244SC..Hα-helixtrans-59.3-41.9171.1-74.7174.2-153.300111.3I282 L340 K341 S347 A348I282-E344 HydrophobicContact CD1-CB 3.75Å; I282-E344 HydrophobicContact CG1-CB 4.43Å; L340-E344 PolarHBondContact O-N 3.46Å; K341-E344 WeakPolarHBondContact CD-OE2 3.39Å; K341-E344 IonicContact NZ-OE1 2.89Å; K341-E344 PolarHBondContact NZ-OE1 2.93Å; K341-E344 IonicContact NZ-OE2 3.98Å; K341-E344 PolarHBondContact NZ-OE2 3.23Å; K341-E344 PolarHBondContact O-N 3.11Å; E344-S347 PolarHBondContact O-N 2.73Å; E344-A348 WeakPolarHBondContact O-CB 3.31Å; E344-A348 PolarHBondContact O-N 2.94Å
345L94.9Very high90.2Very high1 Ų145.3 Ų45.31%0.00526%0.259CS..Hα-helixtrans-65-46176.817960.7000112.4T278 L281 I282 L285 L326 M330 K341 V342 N343 S347 A348 L349 W527T278-L345 HydrophobicContact CG2-CB 4.16Å; T278-L345 HydrophobicContact CG2-CD2 4.08Å; L281-L345 HydrophobicContact CB-CD1 3.83Å; L281-L345 HydrophobicContact CD1-CD2 4.2Å; I282-L345 HydrophobicContact CD1-CB 4.18Å; I282-L345 HydrophobicContact CG1-CB 3.77Å; I282-L345 HydrophobicContact CG1-CD1 4.08Å; L285-L345 HydrophobicContact CD1-CD1 3.82Å; L326-L345 HydrophobicContact CD1-CD2 4.3Å; M330-L345 HydrophobicContact CE-CD2 4.44Å; K341-L345 PolarHBondContact O-N 3.38Å; V342-L345 WeakPolarHBondContact O-CB 3.41Å; V342-L345 PolarHBondContact O-N 2.87Å; N343-L345 VanDerWaalsContact C-N 3.31Å; N343-L345 PolarHBondContact O-N 2.98Å; L345-S347 VanDerWaalsContact C-N 3.26Å; L345-S347 PolarHBondContact O-N 3Å; L345-A348 PolarHBondContact O-N 2.88Å; L345-L349 PolarHBondContact O-N 3.46Å; L345-L349 VanDerWaalsContact O-N 3.14Å; L345-W527 HydrophobicContact CD2-CH2 4.31Å; L345-W527 HydrophobicContact CD2-CZ2 4.09Å; L345-W527 HydrophobicContact CG-CH2 4.32Å; L345-W527 HydrophobicContact CG-CZ2 4.46Å
346V94Very high91.3Very high0 Ų043.1 Ų43.10%022%0.224CC..Hα-helixtrans-56.9-44.1174.4171.80000110.3V342 N343 L349 Y350 P526 W527 Y530V342-V346 HydrophobicContact CG1-CG2 4.5Å; V342-V346 VanDerWaalsContact O-CG2 3.24Å; V342-V346 WeakPolarHBondContact O-CG2 3.38Å; V342-V346 PolarHBondContact O-N 2.9Å; N343-V346 PolarHBondContact O-N 3.47Å; V346-L349 PolarHBondContact O-N 3.4Å; V346-Y350 HydrophobicContact CG1-CD2 3.8Å; V346-Y350 HydrophobicContact CG1-CE2 4.2Å; V346-Y350 VanDerWaalsContact O-CD2 3.29Å; V346-Y350 WeakPolarHBondContact O-CD2 3.34Å; V346-Y350 PolarHBondContact O-N 3.36Å; V346-P526 HydrophobicContact CG2-CB 4.44Å; V346-W527 HydrophobicContact CG2-CD2 3.53Å; V346-W527 HydrophobicContact CG2-CE3 3.59Å; V346-W527 HydrophobicContact CG2-CG 4.03Å; V346-W527 HydrophobicContact CG2-CH2 4.16Å; V346-W527 HydrophobicContact CG2-CZ2 4.15Å; V346-W527 HydrophobicContact CG2-CZ3 3.89Å; V346-Y530 HydrophobicContact CG1-CD2 3.77Å; V346-Y530 HydrophobicContact CG1-CG 3.96Å
347S93.5Very high92.2Very high18 Ų1837.2 Ų37.213%0.12620%0.196CC..Hα-helixtrans-66.2-43.1179.3-52.50000111.4N343 E344 L345 L349 Y350 D351 R535N343-S347 WeakPolarHBondContact O-CB 3.46Å; N343-S347 PolarHBondContact O-N 3.2Å; N343-S347 PolarHBondContact O-OG 3.11Å; E344-S347 PolarHBondContact O-N 2.73Å; L345-S347 VanDerWaalsContact C-N 3.26Å; L345-S347 PolarHBondContact O-N 3Å; S347-L349 PolarHBondContact O-N 2.79Å; S347-Y350 PolarHBondContact O-N 3.42Å; S347-D351 WeakPolarHBondContact CB-OD2 3.49Å; S347-D351 WeakPolarHBondContact O-CB 3.39Å; S347-D351 VanDerWaalsContact O-CG 3.26Å; S347-D351 PolarHBondContact O-N 3.48Å; S347-R535 PolarHBondContact OG-NH1 3.14Å
348A94.7Very high93Very high32 Ų3239.3 Ų39.326%0.26421%0.207SC..Hα-helixtrans-59.3-30.717600000113.3L285 E344 L345L285-A348 HydrophobicContact CB-CB 4.42Å; L285-A348 HydrophobicContact CD1-CB 4.21Å; E344-A348 WeakPolarHBondContact O-CB 3.31Å; E344-A348 PolarHBondContact O-N 2.94Å; L345-A348 PolarHBondContact O-N 2.88Å
349L95.2Very high93.3Very high1 Ų141.9 Ų41.91%0.00522%0.218CC..Hα-helixtrans-82.6-44.8178.5-176.561.7000113.2Y252 A319 F322 L345 V346 S347 W527Y252-L349 HydrophobicContact CE1-CD1 4.21Å; A319-L349 HydrophobicContact CB-CD1 4.02Å; F322-L349 HydrophobicContact CD1-CD1 3.77Å; F322-L349 HydrophobicContact CD1-CD2 3.85Å; F322-L349 HydrophobicContact CD1-CG 4.47Å; F322-L349 HydrophobicContact CE1-CD1 4.2Å; F322-L349 HydrophobicContact CE1-CD2 4.38Å; L345-L349 PolarHBondContact O-N 3.46Å; L345-L349 VanDerWaalsContact O-N 3.14Å; V346-L349 PolarHBondContact O-N 3.4Å; S347-L349 PolarHBondContact O-N 2.79Å; L349-W527 HydrophobicContact CD2-CZ3 4.12Å
350Y94.4Very high93.7Very high25 Ų2538.9 Ų38.910%0.09820%0.202CC..Hα-helixtrans-100.7-25.2-169.6-65.5-68000115.2A320 V346 S347 P352 Y353 W527 Y530A320-Y350 HydrophobicContact CB-CE1 4.39Å; V346-Y350 HydrophobicContact CG1-CD2 3.8Å; V346-Y350 HydrophobicContact CG1-CE2 4.2Å; V346-Y350 VanDerWaalsContact O-CD2 3.29Å; V346-Y350 WeakPolarHBondContact O-CD2 3.34Å; V346-Y350 PolarHBondContact O-N 3.36Å; S347-Y350 PolarHBondContact O-N 3.42Å; Y350-P352 VanDerWaalsContact C-N 3.31Å; Y350-Y353 PolarHBondContact O-N 2.91Å; Y350-W527 HydrophobicContact CE2-CE3 4.27Å; Y350-W527 HydrophobicContact CE2-CZ3 4.23Å; Y350-Y530 VanDerWaalsContact CB-CE1 3.43Å; Y350-Y530 HydrophobicContact CD2-CD1 4.33Å; Y350-Y530 HydrophobicContact CD2-CG 4.36Å; Y350-Y530 HydrophobicContact CG-CD1 4.23Å; Y350-Y530 HydrophobicContact CG-CE1 4.13Å; Y350-Y530 PolarHBondContact O-OH 2.89Å
351D93.8Very high94Very high67 Ų6733.2 Ų33.236%0.35817%0.174SC..G310 helixtrans-58.2-33.9178.2-74.7-15000113.5S347 Y353 K354 Y530S347-D351 WeakPolarHBondContact CB-OD2 3.49Å; S347-D351 WeakPolarHBondContact O-CB 3.39Å; S347-D351 VanDerWaalsContact O-CG 3.26Å; S347-D351 PolarHBondContact O-N 3.48Å; D351-Y353 PolarHBondContact O-N 2.88Å; D351-Y353 VanDerWaalsContact O-N 3.14Å; D351-K354 VanDerWaalsContact O-CB 3.28Å; D351-K354 WeakPolarHBondContact O-CB 3.45Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 VanDerWaalsContact O-N 3.11Å; D351-Y530 PolarHBondContact N-OH 3.42Å; D351-Y530 PolarHBondContact OD1-OH 3.1Å
352P95.6Very high94.2Very high19 Ų1934.8 Ų34.812%0.12319%0.185CC..G310 helixtrans-56.6-27.6174.3-28.437000114.6I292 P293 L296 Y350I292-P352 HydrophobicContact CB-CB 4.28Å; I292-P352 HydrophobicContact CB-CG 4.19Å; I292-P352 HydrophobicContact CG2-CB 3.68Å; I292-P352 HydrophobicContact CG2-CG 3.98Å; P293-P352 HydrophobicContact CG-CB 4.05Å; P293-P352 HydrophobicContact CG-CG 4.22Å; L296-P352 HydrophobicContact CD1-CB 3.86Å; Y350-P352 VanDerWaalsContact C-N 3.31Å
353Y95.4Very high94.3Very high0 Ų035.9 Ų35.90%019%0.191CC..G310 helixtrans-89.4-17.4-179.5-64.1-91.5000113.1L296 L312 L315 H316 A319 Y350 D351 P355 Y356 Q357L296-Y353 HydrophobicContact CD1-CD1 3.96Å; L296-Y353 HydrophobicContact CD1-CD2 4.33Å; L296-Y353 HydrophobicContact CD1-CE1 3.87Å; L296-Y353 HydrophobicContact CD1-CE2 4.22Å; L296-Y353 HydrophobicContact CD1-CG 4.19Å; L296-Y353 HydrophobicContact CD2-CD1 4.44Å; L296-Y353 HydrophobicContact CD2-CE1 3.71Å; L296-Y353 HydrophobicContact CG-CE1 4.46Å; L312-Y353 HydrophobicContact CD1-CD1 4.08Å; L315-Y353 HydrophobicContact CB-CE1 4.14Å; L315-Y353 PolarHBondContact O-OH 2.84Å; H316-Y353 HydrophobicContact CB-CD1 3.87Å; H316-Y353 HydrophobicContact CB-CE1 3.86Å; H316-Y353 AromaticContact CD2-CG 3.91Å; A319-Y353 HydrophobicContact CB-CE2 3.74Å; Y350-Y353 PolarHBondContact O-N 2.91Å; D351-Y353 PolarHBondContact O-N 2.88Å; D351-Y353 VanDerWaalsContact O-N 3.14Å; Y353-P355 VanDerWaalsContact C-CD 3.48Å; Y353-Y356 PolarHBondContact O-N 3.33Å; Y353-Y356 VanDerWaalsContact O-N 3.1Å; Y353-Q357 WeakPolarHBondContact O-CG 3.43Å; Y353-Q357 PolarHBondContact O-N 2.98Å
354K94.1Very high94.6Very high48 Ų4833.1 Ų33.121%0.20918%0.176CC..Hα-helixtrans-53.4-44.6-176177.3-175.5178.1-170.90114.1D351 Y356 Q357 L358 R535D351-K354 VanDerWaalsContact O-CB 3.28Å; D351-K354 WeakPolarHBondContact O-CB 3.45Å; D351-K354 PolarHBondContact O-N 3.38Å; D351-K354 VanDerWaalsContact O-N 3.11Å; K354-Y356 VanDerWaalsContact C-N 3.26Å; K354-Y356 PolarHBondContact O-N 3.5Å; K354-Q357 PolarHBondContact O-N 3.27Å; K354-L358 HydrophobicContact CG-CD1 4.17Å; K354-L358 HydrophobicContact CG-CG 4.46Å; K354-L358 WeakPolarHBondContact O-CG 3.49Å; K354-L358 PolarHBondContact O-N 2.69Å; K354-R535 VanDerWaalsContact NZ-C 3.32Å; K354-R535 PolarHBondContact NZ-O 3.25Å
355P94.3Very high94.8Very high70 Ų7031.4 Ų31.446%0.45517%0.168SC..Hα-helixtrans-58.4-39.8178.7-23.934.6000112.5Y353 Q359Y353-P355 VanDerWaalsContact C-CD 3.48Å; P355-Q359 WeakPolarHBondContact O-CG 3.29Å; P355-Q359 PolarHBondContact O-N 2.93Å
356Y94.6Very high94.8Very high39 Ų3932.7 Ų32.715%0.15318%0.177CC..Hα-helixtrans-75.4-35179-53.5-74000112.4L296 S297 M300 L312 Y353 K354 L358 Q359 Y360L296-Y356 HydrophobicContact CB-CE2 3.97Å; L296-Y356 HydrophobicContact CD1-CE2 4.25Å; S297-Y356 WeakPolarHBondContact CA-OH 3.46Å; S297-Y356 PolarHBondContact N-OH 2.85Å; M300-Y356 HydrophobicContact CB-CE1 4.38Å; M300-Y356 HydrophobicContact CG-CD1 4.37Å; M300-Y356 HydrophobicContact CG-CE1 3.76Å; L312-Y356 HydrophobicContact CD1-CD2 4.1Å; L312-Y356 HydrophobicContact CD1-CG 4.04Å; L312-Y356 HydrophobicContact CD2-CG 4.31Å; Y353-Y356 PolarHBondContact O-N 3.33Å; Y353-Y356 VanDerWaalsContact O-N 3.1Å; K354-Y356 VanDerWaalsContact C-N 3.26Å; K354-Y356 PolarHBondContact O-N 3.5Å; Y356-L358 VanDerWaalsContact C-N 3.33Å; Y356-Q359 CarbonylContact O-C 3.56Å; Y356-Q359 PolarHBondContact O-N 3.23Å; Y356-Y360 PolarHBondContact O-N 3.27Å
357Q94.6Very high94.9Very high7 Ų733 Ų333%0.03318%0.179CC..Hα-helixtrans-65-35.9173.8-70.2174.7-38.500112.2H316 Y353 K354 Q359 Y360 L410 T411 Y532H316-Q357 PolarHBondContact NE2-NE2 2.87Å; Y353-Q357 WeakPolarHBondContact O-CG 3.43Å; Y353-Q357 PolarHBondContact O-N 2.98Å; K354-Q357 PolarHBondContact O-N 3.27Å; Q357-Q359 VanDerWaalsContact C-N 3.34Å; Q357-Y360 VanDerWaalsContact O-CB 3.29Å; Q357-Y360 WeakPolarHBondContact O-CB 3.43Å; Q357-Y360 PolarHBondContact O-N 2.86Å; Q357-L410 HydrophobicContact CG-CG 4.25Å; Q357-L410 PolarHBondContact NE2-O 3.38Å; Q357-T411 HydrophobicContact CB-CG2 4.33Å; Q357-T411 HydrophobicContact CG-CG2 4.29Å; Q357-Y532 HydrophobicContact CB-CD1 4.32Å; Q357-Y532 HydrophobicContact CB-CD2 3.61Å; Q357-Y532 HydrophobicContact CB-CE1 4.3Å; Q357-Y532 HydrophobicContact CB-CE2 3.61Å; Q357-Y532 HydrophobicContact CB-CG 4Å; Q357-Y532 VanDerWaalsContact OE1-CB 3.29Å; Q357-Y532 VanDerWaalsContact OE1-CG 3.27Å
358L93.8Very high95.1Very high57 Ų5732.2 Ų32.230%0.29817%0.173SC..Hα-helixtrans-68.8-33.1173.3-68.9172.3000112K354 Y356 Y360 Y532 L533 N537K354-L358 HydrophobicContact CG-CD1 4.17Å; K354-L358 HydrophobicContact CG-CG 4.46Å; K354-L358 WeakPolarHBondContact O-CG 3.49Å; K354-L358 PolarHBondContact O-N 2.69Å; Y356-L358 VanDerWaalsContact C-N 3.33Å; L358-Y360 VanDerWaalsContact C-N 3.31Å; L358-Y532 HydrophobicContact CD2-CD2 4.14Å; L358-Y532 HydrophobicContact CD2-CE2 4.16Å; L358-Y532 HydrophobicContact CG-CD2 4.39Å; L358-L533 HydrophobicContact CD2-CD1 3.95Å; L358-N537 HydrophobicContact CD2-CB 4.05Å
359Q93.9Very high95.2Very high108 Ų10832.8 Ų32.851%0.50517%0.171SC..THydrogen-bonded Turntrans-88.47.2176.5-66.8176.9-1.700113.6P355 Y356 Q357 G361 D362 L363P355-Q359 WeakPolarHBondContact O-CG 3.29Å; P355-Q359 PolarHBondContact O-N 2.93Å; Y356-Q359 CarbonylContact O-C 3.56Å; Y356-Q359 PolarHBondContact O-N 3.23Å; Q357-Q359 VanDerWaalsContact C-N 3.34Å; Q359-G361 PolarHBondContact O-N 2.92Å; Q359-G361 VanDerWaalsContact O-N 3.17Å; Q359-D362 PolarHBondContact O-N 3.24Å; Q359-D362 VanDerWaalsContact O-N 3.11Å; Q359-L363 PolarHBondContact O-N 3.49Å; Q359-L363 VanDerWaalsContact O-N 3.13Å
360Y95.3Very high95.2Very high0 Ų034.8 Ų34.80%018%0.182CC..Hα-helixtrans-56-38.4-173.7173.4-102.8000112.9L309 Y356 Q357 L358 D362 L363 E364 A403 C407 L410 T411 A415 L419L309-Y360 HydrophobicContact CD1-CD2 4.13Å; L309-Y360 HydrophobicContact CD1-CE2 4Å; L309-Y360 HydrophobicContact CD2-CE2 4.48Å; Y356-Y360 PolarHBondContact O-N 3.27Å; Q357-Y360 VanDerWaalsContact O-CB 3.29Å; Q357-Y360 WeakPolarHBondContact O-CB 3.43Å; Q357-Y360 PolarHBondContact O-N 2.86Å; L358-Y360 VanDerWaalsContact C-N 3.31Å; Y360-D362 VanDerWaalsContact C-N 3.33Å; Y360-D362 PolarHBondContact O-N 3.17Å; Y360-L363 PolarHBondContact O-N 3.37Å; Y360-E364 HydrophobicContact CE1-CB 4.16Å; Y360-E364 HydrophobicContact CE1-CG 4.4Å; Y360-E364 HydrophobicContact CE2-CB 4.11Å; Y360-E364 WeakPolarHBondContact CE2-OE2 3.41Å; Y360-E364 VanDerWaalsContact CZ-OE2 3.28Å; Y360-E364 VanDerWaalsContact O-CB 3.31Å; Y360-E364 WeakPolarHBondContact O-CB 3.32Å; Y360-E364 PolarHBondContact O-N 3.02Å; Y360-E364 VanDerWaalsContact OH-CD 3.29Å; Y360-E364 PolarHBondContact OH-OE2 3.06Å; Y360-A403 PolarHBondContact OH-O 3.25Å; Y360-C407 HydrophobicContact CE1-CB 3.64Å; Y360-C407 WeakPolarHBondContact OH-CA 3.44Å; Y360-C407 WeakPolarHBondContact OH-CB 3.49Å; Y360-C407 PolarHBondContact OH-N 2.84Å; Y360-L410 HydrophobicContact CD2-CD2 3.53Å; Y360-L410 HydrophobicContact CE2-CD2 4.13Å; Y360-L410 HydrophobicContact CG-CD2 4.37Å; Y360-T411 HydrophobicContact CG-CG2 4.31Å; Y360-A415 HydrophobicContact CD1-CB 3.41Å; Y360-A415 VanDerWaalsContact CD1-CB 3.41Å; Y360-A415 HydrophobicContact CE1-CB 4.23Å; Y360-A415 HydrophobicContact CG-CB 4.04Å; Y360-L419 HydrophobicContact CE1-CB 4.42Å
361G94.6Very high95.2Very high8 Ų836.9 Ų36.98%0.08219%0.192CC..Hα-helixtrans-57.2-44.2178.900000113Q359 E365Q359-G361 PolarHBondContact O-N 2.92Å; Q359-G361 VanDerWaalsContact O-N 3.17Å; G361-E365 VanDerWaalsContact O-CB 3.25Å; G361-E365 WeakPolarHBondContact O-CB 3.4Å; G361-E365 PolarHBondContact O-N 3.12Å
362D95.1Very high95.3Very high88 Ų8833.9 Ų33.947%0.47118%0.176SC..Hα-helixtrans-75.8-35.4-179.4-59.2-34.2000111.6Q359 Y360 S366 K421Q359-D362 PolarHBondContact O-N 3.24Å; Q359-D362 VanDerWaalsContact O-N 3.11Å; Y360-D362 VanDerWaalsContact C-N 3.33Å; Y360-D362 PolarHBondContact O-N 3.17Å; D362-S366 WeakPolarHBondContact O-CB 3.48Å; D362-S366 PolarHBondContact O-N 2.89Å; D362-S366 PolarHBondContact O-OG 3.31Å; D362-K421 IonicContact OD1-NZ 3.76Å; D362-K421 PolarHBondContact OD1-NZ 3.28Å
363L95.1Very high95.1Very high23 Ų2336.6 Ų36.612%0.1220%0.196CC..Hα-helixtrans-64.1-48.4174.6-68.5174.5000111.4L309 L312 Q359 Y360 S366 H367L309-L363 HydrophobicContact CD1-CB 4.34Å; L312-L363 HydrophobicContact CD2-CD1 4.07Å; Q359-L363 PolarHBondContact O-N 3.49Å; Q359-L363 VanDerWaalsContact O-N 3.13Å; Y360-L363 PolarHBondContact O-N 3.37Å; L363-S366 PolarHBondContact O-N 2.84Å; L363-S366 PolarHBondContact O-OG 3.38Å; L363-H367 WeakPolarHBondContact O-CB 3.36Å; L363-H367 PolarHBondContact O-N 3.47Å
364E96.7Very high95Very high0 Ų040.2 Ų40.20%023%0.226CC..Hα-helixtrans-64.6-42.6177.3-174.469.3-139.400111.2L309 Y360 S366 H367 L368 A403 R406 L419 A422L309-E364 HydrophobicContact CD2-CB 4.45Å; L309-E364 WeakPolarHBondContact CD2-OE2 3.47Å; Y360-E364 HydrophobicContact CE1-CB 4.16Å; Y360-E364 HydrophobicContact CE1-CG 4.4Å; Y360-E364 HydrophobicContact CE2-CB 4.11Å; Y360-E364 WeakPolarHBondContact CE2-OE2 3.41Å; Y360-E364 VanDerWaalsContact CZ-OE2 3.28Å; Y360-E364 VanDerWaalsContact O-CB 3.31Å; Y360-E364 WeakPolarHBondContact O-CB 3.32Å; Y360-E364 PolarHBondContact O-N 3.02Å; Y360-E364 VanDerWaalsContact OH-CD 3.29Å; Y360-E364 PolarHBondContact OH-OE2 3.06Å; E364-S366 PolarHBondContact O-N 3.22Å; E364-H367 PolarHBondContact O-N 2.78Å; E364-L368 HydrophobicContact CG-CD1 3.95Å; E364-L368 HydrophobicContact CG-CG 4.31Å; E364-L368 WeakPolarHBondContact O-CB 3.39Å; E364-L368 VanDerWaalsContact O-CG 3.3Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.22Å; E364-A403 HydrophobicContact CG-CB 4.27Å; E364-A403 WeakPolarHBondContact OE1-CA 3.44Å; E364-A403 WeakPolarHBondContact OE1-CB 3.31Å; E364-R406 IonicContact OE1-CZ 3.13Å; E364-R406 VanDerWaalsContact OE1-CZ 3.31Å; E364-R406 IonicContact OE1-NE 2.68Å; E364-R406 PolarHBondContact OE1-NE 2.98Å; E364-R406 IonicContact OE1-NH2 2.72Å; E364-R406 PolarHBondContact OE1-NH2 3.1Å; E364-R406 IonicContact OE2-NE 2.77Å; E364-R406 PolarHBondContact OE2-NE 3.28Å; E364-L419 HydrophobicContact CG-CD1 4.33Å; E364-A422 HydrophobicContact CB-CB 4.17Å; E364-A422 HydrophobicContact CG-CB 4.05Å
365E96.7Very high94.8Very high48 Ų4838.8 Ų38.822%0.22422%0.221CC..Hα-helixtrans-56.8-50.9174.1-177.9176.2161.100110.8G361 H367 L368 L369 K421 A422 A425G361-E365 VanDerWaalsContact O-CB 3.25Å; G361-E365 WeakPolarHBondContact O-CB 3.4Å; G361-E365 PolarHBondContact O-N 3.12Å; E365-H367 VanDerWaalsContact C-N 3.35Å; E365-H367 PolarHBondContact O-N 3.41Å; E365-L368 PolarHBondContact O-N 3.09Å; E365-L369 HydrophobicContact CG-CD1 3.86Å; E365-L369 HydrophobicContact CG-CG 4.29Å; E365-L369 WeakPolarHBondContact O-CB 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.33Å; E365-L369 PolarHBondContact O-N 3.27Å; E365-K421 WeakPolarHBondContact OE2-CE 3.33Å; E365-K421 IonicContact OE2-NZ 3.81Å; E365-A422 HydrophobicContact CB-CB 3.9Å; E365-A425 HydrophobicContact CG-CB 3.81Å
366S95.9Very high94.4Very high28 Ų2838.3 Ų38.320%0.19622%0.218CC..Hα-helixtrans-61.2-41.8179.674.60000112.8D362 L363 E364 I370D362-S366 WeakPolarHBondContact O-CB 3.48Å; D362-S366 PolarHBondContact O-N 2.89Å; D362-S366 PolarHBondContact O-OG 3.31Å; L363-S366 PolarHBondContact O-N 2.84Å; L363-S366 PolarHBondContact O-OG 3.38Å; E364-S366 PolarHBondContact O-N 3.22Å; S366-I370 WeakPolarHBondContact O-CD1 3.46Å; S366-I370 VanDerWaalsContact O-CG1 3.28Å; S366-I370 WeakPolarHBondContact O-CG1 3.22Å; S366-I370 PolarHBondContact O-N 3.19Å; S366-I370 VanDerWaalsContact O-N 3.14Å
367H96.1Very high94Very high8 Ų837 Ų374%0.03721%0.213CC..Hα-helixtrans-64.8-47.9178177.386000111.2E306 L309 D310 L363 E364 E365 L369 I370 Q371E306-H367 PolarHBondContact O-CE1 3.31Å; E306-H367 PolarHBondContact O-ND1 2.76Å; L309-H367 HydrophobicContact CB-CB 4.45Å; L309-H367 HydrophobicContact CD2-CB 4.06Å; D310-H367 IonicContact OD2-CE1 2.77Å; D310-H367 PolarHBondContact OD2-CE1 2.99Å; L363-H367 WeakPolarHBondContact O-CB 3.36Å; L363-H367 PolarHBondContact O-N 3.47Å; E364-H367 PolarHBondContact O-N 2.78Å; E365-H367 VanDerWaalsContact C-N 3.35Å; E365-H367 PolarHBondContact O-N 3.41Å; H367-L369 PolarHBondContact O-N 2.9Å; H367-I370 PolarHBondContact O-N 3.15Å; H367-Q371 VanDerWaalsContact O-CG 3.32Å; H367-Q371 WeakPolarHBondContact O-CG 3.3Å; H367-Q371 PolarHBondContact O-N 3.42Å
368L96.9Very high93.3Very high0 Ų041.2 Ų41.20%023%0.233CC..Hα-helixtrans-62.4-42.1178.2-74.6176.6000112.5E364 E365 I370 Q371 I372 L399 A403 A422 L426E364-L368 HydrophobicContact CG-CD1 3.95Å; E364-L368 HydrophobicContact CG-CG 4.31Å; E364-L368 WeakPolarHBondContact O-CB 3.39Å; E364-L368 VanDerWaalsContact O-CG 3.3Å; E364-L368 WeakPolarHBondContact O-CG 3.42Å; E364-L368 PolarHBondContact O-N 3.22Å; E365-L368 PolarHBondContact O-N 3.09Å; L368-I370 VanDerWaalsContact C-N 3.31Å; L368-I370 PolarHBondContact O-N 3.47Å; L368-Q371 PolarHBondContact O-N 2.93Å; L368-I372 WeakPolarHBondContact O-CG2 3.39Å; L368-I372 PolarHBondContact O-N 3.38Å; L368-L399 HydrophobicContact CD2-CB 4.14Å; L368-A403 HydrophobicContact CD1-CB 4.02Å; L368-A403 HydrophobicContact CD2-CB 4.27Å; L368-A422 HydrophobicContact CD1-CB 4.25Å; L368-L426 HydrophobicContact CB-CB 4.47Å; L368-L426 HydrophobicContact CB-CD1 4.33Å; L368-L426 HydrophobicContact CD1-CB 4.33Å; L368-L426 HydrophobicContact CD1-CD2 4.25Å; L368-L426 HydrophobicContact CD2-CD2 4.25Å
369L96.7Very high92.4Very high44 Ų4446.7 Ų46.723%0.2325%0.25CC..Hα-helixtrans-65-35.5178.9-68.2177.6000111.7E365 H367 I372 S373 A425 K429E365-L369 HydrophobicContact CG-CD1 3.86Å; E365-L369 HydrophobicContact CG-CG 4.29Å; E365-L369 WeakPolarHBondContact O-CB 3.3Å; E365-L369 WeakPolarHBondContact O-CG 3.33Å; E365-L369 PolarHBondContact O-N 3.27Å; H367-L369 PolarHBondContact O-N 2.9Å; L369-I372 WeakPolarHBondContact O-CG2 3.34Å; L369-S373 WeakPolarHBondContact O-CB 3.35Å; L369-S373 PolarHBondContact O-N 3.27Å; L369-A425 HydrophobicContact CD2-CB 4.48Å; L369-K429 HydrophobicContact CB-CD 4.37Å; L369-K429 HydrophobicContact CD2-CB 3.81Å; L369-K429 HydrophobicContact CD2-CD 3.44Å; L369-K429 VanDerWaalsContact CD2-CD 3.44Å; L369-K429 HydrophobicContact CD2-CG 4.28Å; L369-K429 HydrophobicContact CG-CD 4.46Å; L369-K429 PolarHBondContact O-NZ 3.38Å
370I95.1Very high91.8Very high43 Ų4344 Ų4422%0.22125%0.251CS..Hα-helixtrans-69.5-47.1175.3-63162000110.4Q305 E306 S366 H367 L368 I372 S373 A374Q305-I370 HydrophobicContact CB-CD1 4.21Å; Q305-I370 HydrophobicContact CG-CD1 3.76Å; E306-I370 HydrophobicContact CG-CD1 4.11Å; E306-I370 HydrophobicContact CG-CG2 3.65Å; E306-I370 WeakPolarHBondContact OE1-CG2 3.31Å; S366-I370 WeakPolarHBondContact O-CD1 3.46Å; S366-I370 VanDerWaalsContact O-CG1 3.28Å; S366-I370 WeakPolarHBondContact O-CG1 3.22Å; S366-I370 PolarHBondContact O-N 3.19Å; S366-I370 VanDerWaalsContact O-N 3.14Å; H367-I370 PolarHBondContact O-N 3.15Å; L368-I370 VanDerWaalsContact C-N 3.31Å; L368-I370 PolarHBondContact O-N 3.47Å; I370-I372 PolarHBondContact O-N 3.4Å; I370-S373 WeakPolarHBondContact O-CB 3.22Å; I370-S373 PolarHBondContact O-N 2.82Å; I370-A374 PolarHBondContact O-N 2.95Å
371Q94.5Very high91.3Very high69 Ų6950.8 Ų50.832%0.32228%0.283SS..Hα-helixtrans-60.9-44-179.5-68.4-66.1-27.800112.6H367 L368 S373 A374 L399H367-Q371 VanDerWaalsContact O-CG 3.32Å; H367-Q371 WeakPolarHBondContact O-CG 3.3Å; H367-Q371 PolarHBondContact O-N 3.42Å; L368-Q371 PolarHBondContact O-N 2.93Å; Q371-S373 VanDerWaalsContact C-N 3.32Å; Q371-S373 PolarHBondContact O-N 3.06Å; Q371-A374 WeakPolarHBondContact O-CB 3.37Å; Q371-A374 PolarHBondContact O-N 3.18Å; Q371-L399 HydrophobicContact CB-CD1 4.06Å; Q371-L399 HydrophobicContact CB-CD2 3.81Å; Q371-L399 HydrophobicContact CG-CD2 4.33Å
372I95.4Very high90.9Very high4 Ų451.4 Ų51.42%0.02129%0.285CS..Hα-helixtrans-69.3-31.3178.4-163.463.6000112.1L368 L369 I370 A374 V375 L396 L399 L426 K429 Y430L368-I372 WeakPolarHBondContact O-CG2 3.39Å; L368-I372 PolarHBondContact O-N 3.38Å; L369-I372 WeakPolarHBondContact O-CG2 3.34Å; I370-I372 PolarHBondContact O-N 3.4Å; I372-A374 PolarHBondContact O-N 3.44Å; I372-V375 HydrophobicContact CD1-CB 4.47Å; I372-V375 HydrophobicContact CD1-CG2 4.17Å; I372-V375 WeakPolarHBondContact O-CB 3.41Å; I372-V375 PolarHBondContact O-N 2.95Å; I372-V375 VanDerWaalsContact O-N 3.07Å; I372-L396 HydrophobicContact CD1-CD1 4.3Å; I372-L399 HydrophobicContact CB-CD1 4.31Å; I372-L399 HydrophobicContact CD1-CD1 4.05Å; I372-L426 HydrophobicContact CB-CD1 3.65Å; I372-L426 HydrophobicContact CD1-CD1 4.19Å; I372-L426 HydrophobicContact CG1-CD1 3.87Å; I372-L426 HydrophobicContact CG2-CD1 3.97Å; I372-K429 HydrophobicContact CG2-CB 4.5Å; I372-K429 HydrophobicContact CG2-CD 3.58Å; I372-K429 HydrophobicContact CG2-CG 4Å; I372-Y430 HydrophobicContact CD1-CD2 4.04Å; I372-Y430 HydrophobicContact CG1-CD2 4.47Å
373S93.1Very high90.5Very high76 Ų7649.8 Ų49.853%0.53128%0.276SS..Hα-helixtrans-64.3-27.7173.9-110.90000113.3L369 I370 Q371 K429L369-S373 WeakPolarHBondContact O-CB 3.35Å; L369-S373 PolarHBondContact O-N 3.27Å; I370-S373 WeakPolarHBondContact O-CB 3.22Å; I370-S373 PolarHBondContact O-N 2.82Å; Q371-S373 VanDerWaalsContact C-N 3.32Å; Q371-S373 PolarHBondContact O-N 3.06Å; S373-K429 WeakPolarHBondContact OG-CE 3.2Å; S373-K429 PolarHBondContact OG-NZ 3.48Å
374A91.8Very high90.2Very high76 Ų7651.8 Ų51.863%0.62829%0.287SS*.THydrogen-bonded Turntrans-78.7-7.8176.400000112.6I370 Q371 I372 P376I370-A374 PolarHBondContact O-N 2.95Å; Q371-A374 WeakPolarHBondContact O-CB 3.37Å; Q371-A374 PolarHBondContact O-N 3.18Å; I372-A374 PolarHBondContact O-N 3.44Å; A374-P376 VanDerWaalsContact O-CD 3.23Å; A374-P376 WeakPolarHBondContact O-CD 3.47Å
375V91Very high89.9Confident19 Ų1951.8 Ų51.812%0.11529%0.287CS..SBendtrans-82.9109.4174.9-178.10000108.9I372 L377 K395I372-V375 HydrophobicContact CD1-CB 4.47Å; I372-V375 HydrophobicContact CD1-CG2 4.17Å; I372-V375 WeakPolarHBondContact O-CB 3.41Å; I372-V375 PolarHBondContact O-N 2.95Å; I372-V375 VanDerWaalsContact O-N 3.07Å; V375-L377 HydrophobicContact CG1-CD2 4.24Å; V375-L377 PolarHBondContact O-N 3.27Å; V375-K395 HydrophobicContact CB-CD 4.45Å; V375-K395 HydrophobicContact CG1-CD 3.66Å; V375-K395 HydrophobicContact CG2-CB 4.27Å; V375-K395 HydrophobicContact CG2-CD 3.97Å
376P86.1Confident89.6Confident59 Ų5949.7 Ų49.738%0.38328%0.277SS..  trans-71.1128.4177.930.4-33.6000109.7A374A374-P376 VanDerWaalsContact O-CD 3.23Å; A374-P376 WeakPolarHBondContact O-CD 3.47Å
377L85.9Confident89.4Confident12 Ų1253.2 Ų53.26%0.06329%0.29CS..  trans-105.4-22.7170.3-57.4-174.5000112.2V375 L389 Y430 D433 F434 T437V375-L377 HydrophobicContact CG1-CD2 4.24Å; V375-L377 PolarHBondContact O-N 3.27Å; L377-L389 HydrophobicContact CB-CD2 4.18Å; L377-L389 HydrophobicContact CD1-CD2 4.45Å; L377-L389 HydrophobicContact CD2-CD2 4.38Å; L377-Y430 HydrophobicContact CD2-CE2 4.3Å; L377-D433 HydrophobicContact CD1-CB 3.58Å; L377-F434 HydrophobicContact CD1-CB 4.35Å; L377-T437 WeakPolarHBondContact CB-OG1 3.3Å; L377-T437 WeakPolarHBondContact O-CG2 3.32Å
378E80Confident89.2Confident96 Ų9654.6 Ų54.645%0.44930%0.297SS..  trans-121.4115.8-177.4-171.8174.7-178.400110.7T437 S440 K444E378-T437 HydrophobicContact CB-CG2 4.45Å; E378-S440 VanDerWaalsContact OE1-CB 3.29Å; E378-S440 WeakPolarHBondContact OE1-CB 3.2Å; E378-S440 PolarHBondContact OE1-OG 3.39Å; E378-K444 IonicContact OE1-NZ 2.72Å
379R75.1Confident89Confident172 Ų17254.6 Ų54.665%0.64930%0.297SS*.  trans-151.5142.2173-169.6176.3-177.7-173.5-0.7108.9D384 C385R379-D384 VanDerWaalsContact O-CB 3.25Å; R379-D384 WeakPolarHBondContact O-CB 3.37Å; R379-C385 PolarHBondContact O-SG 3.43Å
380G80.5Confident88.8Confident52 Ų5255.5 Ų55.554%0.53631%0.307SS..SBendtrans61.8-140.9166.600000115.4D384 K444G380-D384 WeakPolarHBondContact CA-OD2 3.38Å; G380-K444 PolarHBondContact O-NZ 3.39Å
381E85.6Confident88.7Confident141 Ų14159 Ų5966%0.65932%0.322SS*.SBendtrans-80.2177.1-177.4-65-171.1172.900112I383 D384 C385E381-I383 VanDerWaalsContact C-N 3.26Å; E381-I383 HydrophobicContact CB-CG2 4.37Å; E381-I383 PolarHBondContact O-N 2.92Å; E381-D384 PolarHBondContact N-OD2 3.03Å; E381-D384 PolarHBondContact O-N 3.41Å; E381-C385 PolarHBondContact O-N 3.42Å; E381-C385 VanDerWaalsContact O-N 3.15Å; E381-C385 PolarHBondContact O-SG 2.78Å; E381-C385 VanDerWaalsContact O-SG 3.4Å
382V85.8Confident88.7Confident22 Ų2255.7 Ų55.713%0.13331%0.307CS..Hα-helixtrans-59-39.9-179.6173.90000111.3D384 C385 V386 V441 K444 N465V382-D384 PolarHBondContact O-N 3.41Å; V382-C385 WeakPolarHBondContact O-CB 3.37Å; V382-C385 PolarHBondContact O-N 3.22Å; V382-V386 HydrophobicContact CG1-CG2 4.38Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.26Å; V382-V386 PolarHBondContact O-N 3.34Å; V382-V441 HydrophobicContact CG1-CG1 3.83Å; V382-K444 HydrophobicContact CG2-CB 3.55Å; V382-K444 HydrophobicContact CG2-CD 4.07Å; V382-K444 HydrophobicContact CG2-CG 4.46Å; V382-N465 HydrophobicContact CG1-CB 4Å
383I87.3Confident88.7Confident53 Ų5355.7 Ų55.727%0.27231%0.307SS..Hα-helixtrans-64.3-41-179.4-169.964.1000112.2E381 C385 V386 E387 R468E381-I383 VanDerWaalsContact C-N 3.26Å; E381-I383 HydrophobicContact CB-CG2 4.37Å; E381-I383 PolarHBondContact O-N 2.92Å; I383-C385 VanDerWaalsContact C-N 3.33Å; I383-C385 PolarHBondContact O-N 3.41Å; I383-V386 WeakPolarHBondContact O-CB 3.38Å; I383-V386 PolarHBondContact O-N 2.92Å; I383-V386 VanDerWaalsContact O-N 3.15Å; I383-E387 PolarHBondContact O-N 2.96Å; I383-R468 VanDerWaalsContact CD1-NH1 3.32Å
384D88.7Confident88.8Confident65 Ų6554.2 Ų54.235%0.34830%0.304SS..Hα-helixtrans-63-41.8176.3-60-37.8000110.6R379 G380 E381 V382 V386 E387 E388R379-D384 VanDerWaalsContact O-CB 3.25Å; R379-D384 WeakPolarHBondContact O-CB 3.37Å; G380-D384 WeakPolarHBondContact CA-OD2 3.38Å; E381-D384 PolarHBondContact N-OD2 3.03Å; E381-D384 PolarHBondContact O-N 3.41Å; V382-D384 PolarHBondContact O-N 3.41Å; D384-V386 VanDerWaalsContact C-N 3.34Å; D384-V386 PolarHBondContact O-N 3.37Å; D384-E387 PolarHBondContact O-N 3.21Å; D384-E388 WeakPolarHBondContact O-CG 3.5Å; D384-E388 PolarHBondContact O-N 3.42Å
385C89.2Confident88.9Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-59.9-43.4173.5-64.60000111.7R379 E381 V382 I383 E387 E388 L389 T437 V441 K444R379-C385 PolarHBondContact O-SG 3.43Å; E381-C385 PolarHBondContact O-N 3.42Å; E381-C385 VanDerWaalsContact O-N 3.15Å; E381-C385 PolarHBondContact O-SG 2.78Å; E381-C385 VanDerWaalsContact O-SG 3.4Å; V382-C385 WeakPolarHBondContact O-CB 3.37Å; V382-C385 PolarHBondContact O-N 3.22Å; I383-C385 VanDerWaalsContact C-N 3.33Å; I383-C385 PolarHBondContact O-N 3.41Å; C385-E387 PolarHBondContact O-N 3.07Å; C385-E388 PolarHBondContact O-N 3.23Å; C385-L389 WeakPolarHBondContact O-CB 3.34Å; C385-L389 WeakPolarHBondContact O-CG 3.49Å; C385-L389 PolarHBondContact O-N 2.96Å; C385-T437 HydrophobicContact CB-CG2 4.23Å; C385-V441 HydrophobicContact CB-CG2 4.02Å; C385-K444 PolarHBondContact SG-NZ 3.01Å; C385-K444 VanDerWaalsContact SG-NZ 3.43Å
386V91Very high89.2Confident5 Ų554 Ų543%0.0329%0.288CS..Hα-helixtrans-62.5-42.8179.3174.80000111.2V382 I383 D384 L389 S390 N465 R468 I469V382-V386 HydrophobicContact CG1-CG2 4.38Å; V382-V386 VanDerWaalsContact O-CG2 3.26Å; V382-V386 WeakPolarHBondContact O-CG2 3.26Å; V382-V386 PolarHBondContact O-N 3.34Å; I383-V386 WeakPolarHBondContact O-CB 3.38Å; I383-V386 PolarHBondContact O-N 2.92Å; I383-V386 VanDerWaalsContact O-N 3.15Å; D384-V386 VanDerWaalsContact C-N 3.34Å; D384-V386 PolarHBondContact O-N 3.37Å; V386-L389 PolarHBondContact O-N 2.83Å; V386-S390 PolarHBondContact O-N 2.68Å; V386-S390 VanDerWaalsContact O-N 3.08Å; V386-N465 HydrophobicContact CG2-CB 4.05Å; V386-R468 HydrophobicContact CG1-CB 3.55Å; V386-R468 HydrophobicContact CG1-CG 4.48Å; V386-I469 HydrophobicContact CG1-CG1 4.33Å; V386-I469 HydrophobicContact CG2-CD1 3.93Å; V386-I469 HydrophobicContact CG2-CG1 3.87Å
387E90.9Very high89.7Confident101 Ų10152.2 Ų52.247%0.47227%0.274SS..Hα-helixtrans-66.5-44.2177.8-70.4-17417900112.2I383 D384 C385 L389 S390 H391I383-E387 PolarHBondContact O-N 2.96Å; D384-E387 PolarHBondContact O-N 3.21Å; C385-E387 PolarHBondContact O-N 3.07Å; E387-L389 PolarHBondContact O-N 3.4Å; E387-S390 WeakPolarHBondContact O-CB 3.49Å; E387-S390 PolarHBondContact O-N 2.92Å; E387-H391 PolarHBondContact O-N 2.93Å; E387-H391 PolarHBondContact O-ND1 2.98Å
388E91.9Very high90.2Very high38 Ų3853.9 Ų53.918%0.17829%0.293CS..Hα-helixtrans-64.4-39.1176.3-70.5-66.3174.800111.9D384 C385 S390 H391 S392D384-E388 WeakPolarHBondContact O-CG 3.5Å; D384-E388 PolarHBondContact O-N 3.42Å; C385-E388 PolarHBondContact O-N 3.23Å; E388-S390 VanDerWaalsContact C-N 3.32Å; E388-S390 PolarHBondContact O-N 3.35Å; E388-H391 PolarHBondContact O-N 3.44Å; E388-S392 VanDerWaalsContact O-CB 3.27Å; E388-S392 WeakPolarHBondContact O-CB 3.3Å; E388-S392 PolarHBondContact O-N 3.09Å
389L93.6Very high91Very high0 Ų050.6 Ų50.60%028%0.279CS..Hα-helixtrans-59.4-43.3173-71.5174.2000111.1L377 C385 V386 E387 S392 F434 T437 I469L377-L389 HydrophobicContact CB-CD2 4.18Å; L377-L389 HydrophobicContact CD1-CD2 4.45Å; L377-L389 HydrophobicContact CD2-CD2 4.38Å; C385-L389 WeakPolarHBondContact O-CB 3.34Å; C385-L389 WeakPolarHBondContact O-CG 3.49Å; C385-L389 PolarHBondContact O-N 2.96Å; V386-L389 PolarHBondContact O-N 2.83Å; E387-L389 PolarHBondContact O-N 3.4Å; L389-S392 PolarHBondContact O-N 2.81Å; L389-S392 PolarHBondContact O-OG 2.87Å; L389-F434 HydrophobicContact CB-CE2 4.09Å; L389-F434 HydrophobicContact CB-CZ 4.2Å; L389-F434 HydrophobicContact CD1-CE1 4.04Å; L389-F434 HydrophobicContact CD1-CZ 4.01Å; L389-F434 HydrophobicContact CD2-CD1 4.03Å; L389-F434 HydrophobicContact CD2-CD2 3.57Å; L389-F434 HydrophobicContact CD2-CE1 4.12Å; L389-F434 HydrophobicContact CD2-CE2 3.66Å; L389-F434 HydrophobicContact CD2-CG 3.77Å; L389-F434 HydrophobicContact CD2-CZ 3.94Å; L389-F434 HydrophobicContact CG-CE2 4.29Å; L389-F434 HydrophobicContact CG-CZ 4.28Å; L389-T437 HydrophobicContact CD1-CG2 4.06Å; L389-T437 HydrophobicContact CD2-CG2 4.01Å; L389-T437 HydrophobicContact CG-CG2 4.16Å; L389-I469 HydrophobicContact CD1-CG1 4.31Å; L389-I469 HydrophobicContact CD1-CG2 4.47Å
390S92.4Very high92Very high63 Ų6342.4 Ų42.444%0.44125%0.248SC..Hα-helixtrans-62.9-49.1175.9-175.70000112.3V386 E387 E388 S392 V393V386-S390 PolarHBondContact O-N 2.68Å; V386-S390 VanDerWaalsContact O-N 3.08Å; E387-S390 WeakPolarHBondContact O-CB 3.49Å; E387-S390 PolarHBondContact O-N 2.92Å; E388-S390 VanDerWaalsContact C-N 3.32Å; E388-S390 PolarHBondContact O-N 3.35Å; S390-S392 VanDerWaalsContact C-N 3.25Å; S390-S392 PolarHBondContact O-N 3Å; S390-V393 PolarHBondContact O-N 3.2Å
391H92.6Very high92.7Very high115 Ų11541 Ų4153%0.53223%0.234SC..Hα-helixtrans-64-29.2177.8-67.5147.8000113.5E387 E388 V393 G394E387-H391 PolarHBondContact O-N 2.93Å; E387-H391 PolarHBondContact O-ND1 2.98Å; E388-H391 PolarHBondContact O-N 3.44Å; H391-V393 PolarHBondContact O-N 2.97Å; H391-G394 PolarHBondContact O-N 3.32Å
392S94.8Very high93.2Very high0 Ų036 Ų360%022%0.216CC..Hα-helixtrans-65.4-26.3-179.277.70000113.5E388 L389 S390 K395 L396 Y430E388-S392 VanDerWaalsContact O-CB 3.27Å; E388-S392 WeakPolarHBondContact O-CB 3.3Å; E388-S392 PolarHBondContact O-N 3.09Å; L389-S392 PolarHBondContact O-N 2.81Å; L389-S392 PolarHBondContact O-OG 2.87Å; S390-S392 VanDerWaalsContact C-N 3.25Å; S390-S392 PolarHBondContact O-N 3Å; S392-K395 PolarHBondContact O-N 3.27Å; S392-L396 PolarHBondContact O-N 3.29Å; S392-Y430 WeakPolarHBondContact OG-CE2 3.48Å; S392-Y430 PolarHBondContact OG-OH 3.25Å
393V95.4Very high93.7Very high4 Ų434.9 Ų34.92%0.02421%0.209CC..Hα-helixtrans-60.4-50.1179.3-178.40000110.8S390 H391 K395 L396 F397 T472 E475 L476S390-V393 PolarHBondContact O-N 3.2Å; H391-V393 PolarHBondContact O-N 2.97Å; V393-K395 VanDerWaalsContact C-N 3.29Å; V393-K395 PolarHBondContact O-N 2.9Å; V393-L396 WeakPolarHBondContact O-CB 3.38Å; V393-L396 PolarHBondContact O-N 3.03Å; V393-F397 HydrophobicContact CG1-CD2 4.01Å; V393-F397 HydrophobicContact CG1-CE2 4.02Å; V393-F397 WeakPolarHBondContact O-CD2 3.28Å; V393-F397 PolarHBondContact O-N 3.48Å; V393-T472 HydrophobicContact CG2-CG2 3.61Å; V393-E475 HydrophobicContact CG1-CG 4.21Å; V393-L476 HydrophobicContact CB-CD2 4.28Å; V393-L476 HydrophobicContact CG1-CD2 3.87Å; V393-L476 HydrophobicContact CG1-CG 4.17Å; V393-L476 HydrophobicContact CG2-CD1 4.35Å; V393-L476 HydrophobicContact CG2-CD2 3.86Å; V393-L476 HydrophobicContact CG2-CG 3.74Å
394G94.6Very high94Very high46 Ų4632.7 Ų32.747%0.47420%0.198SC..Hα-helixtrans-62-37.117800000112.6H391 G398H391-G394 PolarHBondContact O-N 3.32Å; G394-G398 PolarHBondContact O-N 2.84Å
395K95.3Very high94.3Very high91 Ų9132.9 Ų32.940%0.39620%0.199SC..Hα-helixtrans-66-43.6176.2-66.2176.9-177.5170.20111.6V375 S392 V393 G398 L399V375-K395 HydrophobicContact CB-CD 4.45Å; V375-K395 HydrophobicContact CG1-CD 3.66Å; V375-K395 HydrophobicContact CG2-CB 4.27Å; V375-K395 HydrophobicContact CG2-CD 3.97Å; S392-K395 PolarHBondContact O-N 3.27Å; V393-K395 VanDerWaalsContact C-N 3.29Å; V393-K395 PolarHBondContact O-N 2.9Å; K395-G398 PolarHBondContact O-N 3.21Å; K395-L399 VanDerWaalsContact O-CG 3.31Å; K395-L399 WeakPolarHBondContact O-CG 3.2Å; K395-L399 PolarHBondContact O-N 3.44Å
396L97Very high94.5Very high0 Ų034.3 Ų34.30%021%0.205CC..Hα-helixtrans-57.2-52.8177.6174.166.6000111.8I372 S392 V393 L399 A400 L426 F427 Y430 L476I372-L396 HydrophobicContact CD1-CD1 4.3Å; S392-L396 PolarHBondContact O-N 3.29Å; V393-L396 WeakPolarHBondContact O-CB 3.38Å; V393-L396 PolarHBondContact O-N 3.03Å; L396-L399 PolarHBondContact O-N 3.01Å; L396-A400 WeakPolarHBondContact O-CB 3.37Å; L396-A400 PolarHBondContact O-N 2.59Å; L396-L426 HydrophobicContact CD1-CD1 4.12Å; L396-L426 HydrophobicContact CD1-CD2 4.08Å; L396-L426 HydrophobicContact CD1-CG 3.82Å; L396-F427 HydrophobicContact CD1-CD1 4.35Å; L396-F427 HydrophobicContact CD1-CE1 4.37Å; L396-F427 HydrophobicContact CD2-CD1 3.91Å; L396-F427 HydrophobicContact CD2-CE1 3.69Å; L396-F427 HydrophobicContact CG-CD1 4.46Å; L396-F427 HydrophobicContact CG-CE1 4.09Å; L396-Y430 HydrophobicContact CB-CD2 4.46Å; L396-Y430 HydrophobicContact CB-CE2 4.43Å; L396-Y430 HydrophobicContact CD1-CD1 4.5Å; L396-Y430 HydrophobicContact CD1-CD2 4.33Å; L396-Y430 HydrophobicContact CD1-CG 4Å; L396-Y430 HydrophobicContact CD2-CD1 3.53Å; L396-Y430 HydrophobicContact CD2-CD2 4.3Å; L396-Y430 HydrophobicContact CD2-CE1 3.69Å; L396-Y430 HydrophobicContact CD2-CE2 4.42Å; L396-Y430 HydrophobicContact CD2-CG 3.84Å; L396-Y430 HydrophobicContact CG-CG 4.41Å; L396-L476 HydrophobicContact CD2-CD2 3.92Å
397F96.5Very high94.7Very high21 Ų2134.2 Ų34.29%0.09220%0.204CC..Hα-helixtrans-73.6-28.6-178.5-72.2-74.4000112.9V393 A400 G401 F427 L476 Q479 C480 Y483V393-F397 HydrophobicContact CG1-CD2 4.01Å; V393-F397 HydrophobicContact CG1-CE2 4.02Å; V393-F397 WeakPolarHBondContact O-CD2 3.28Å; V393-F397 PolarHBondContact O-N 3.48Å; F397-A400 PolarHBondContact O-N 3.17Å; F397-G401 PolarHBondContact O-N 3.35Å; F397-F427 HydrophobicContact CD1-CZ 4.34Å; F397-F427 AromaticContact CE1-CE1 3.93Å; F397-F427 HydrophobicContact CE1-CE1 3.93Å; F397-F427 AromaticContact CE1-CZ 3.75Å; F397-F427 HydrophobicContact CE1-CZ 3.75Å; F397-F427 HydrophobicContact CZ-CE1 4.01Å; F397-F427 HydrophobicContact CZ-CZ 4.31Å; F397-L476 HydrophobicContact CE2-CD2 4.12Å; F397-Q479 HydrophobicContact CD1-CB 4.49Å; F397-Q479 HydrophobicContact CD2-CB 3.7Å; F397-Q479 HydrophobicContact CD2-CG 4.43Å; F397-Q479 HydrophobicContact CE1-CB 4.24Å; F397-Q479 HydrophobicContact CE2-CB 3.37Å; F397-Q479 HydrophobicContact CE2-CG 4.41Å; F397-Q479 HydrophobicContact CG-CB 4.25Å; F397-Q479 HydrophobicContact CZ-CB 3.68Å; F397-C480 HydrophobicContact CE1-CB 4.31Å; F397-C480 HydrophobicContact CZ-CB 3.93Å; F397-C480 VanDerWaalsContact CZ-N 3.29Å; F397-Y483 HydrophobicContact CD1-CD1 4.3Å; F397-Y483 HydrophobicContact CD1-CD2 4.32Å; F397-Y483 AromaticContact CD1-CG 3.87Å; F397-Y483 HydrophobicContact CD1-CG 3.87Å; F397-Y483 HydrophobicContact CE1-CD1 4.29Å; F397-Y483 HydrophobicContact CE1-CG 4.13Å
398G96.3Very high94.7Very high46 Ų4631.2 Ų31.247%0.47419%0.193SC..Hα-helixtrans-61-46.2168.800000112.3G394 K395 G401 A402G394-G398 PolarHBondContact O-N 2.84Å; K395-G398 PolarHBondContact O-N 3.21Å; G398-G401 PolarHBondContact O-N 3.44Å; G398-A402 WeakPolarHBondContact O-CB 3.44Å; G398-A402 PolarHBondContact O-N 2.9Å
399L96.6Very high94.7Very high28 Ų2836.5 Ų36.515%0.14722%0.215CC..Hα-helixtrans-63.7-43.9175.4-71.4174.6000111.9L368 Q371 I372 K395 L396 A402 A403 L426L368-L399 HydrophobicContact CD2-CB 4.14Å; Q371-L399 HydrophobicContact CB-CD1 4.06Å; Q371-L399 HydrophobicContact CB-CD2 3.81Å; Q371-L399 HydrophobicContact CG-CD2 4.33Å; I372-L399 HydrophobicContact CB-CD1 4.31Å; I372-L399 HydrophobicContact CD1-CD1 4.05Å; K395-L399 VanDerWaalsContact O-CG 3.31Å; K395-L399 WeakPolarHBondContact O-CG 3.2Å; K395-L399 PolarHBondContact O-N 3.44Å; L396-L399 PolarHBondContact O-N 3.01Å; L399-A402 PolarHBondContact O-N 3.19Å; L399-A403 PolarHBondContact O-N 3.47Å; L399-L426 HydrophobicContact CB-CD2 4.45Å
400A96.6Very high94.6Very high0 Ų036.5 Ų36.50%022%0.215CC..Hα-helixtrans-61.7-46.6177.400000111.7L396 F397 A402 A403 V404 L423 L426 Y483L396-A400 WeakPolarHBondContact O-CB 3.37Å; L396-A400 PolarHBondContact O-N 2.59Å; F397-A400 PolarHBondContact O-N 3.17Å; A400-A402 PolarHBondContact O-N 2.85Å; A400-A403 WeakPolarHBondContact O-CB 3.3Å; A400-A403 PolarHBondContact O-N 3.04Å; A400-V404 PolarHBondContact O-N 3.4Å; A400-L423 HydrophobicContact CB-CD2 3.81Å; A400-L426 HydrophobicContact CB-CD2 4.12Å; A400-Y483 VanDerWaalsContact C-OH 3.3Å; A400-Y483 HydrophobicContact CB-CE1 3.99Å; A400-Y483 HydrophobicContact CB-CE2 4Å; A400-Y483 PolarHBondContact O-OH 3.12Å
401G95.6Very high94.5Very high23 Ų2333.7 Ų33.724%0.23720%0.196CC..Hα-helixtrans-61.1-44.4176.200000113F397 G398 A403 V404 D405F397-G401 PolarHBondContact O-N 3.35Å; G398-G401 PolarHBondContact O-N 3.44Å; G401-A403 VanDerWaalsContact C-N 3.27Å; G401-A403 PolarHBondContact O-N 2.96Å; G401-V404 WeakPolarHBondContact O-CB 3.25Å; G401-V404 PolarHBondContact O-N 3.07Å; G401-V404 VanDerWaalsContact O-N 3.16Å; G401-D405 PolarHBondContact O-N 3.43Å
402A95.4Very high94.2Very high34 Ų3431.3 Ų31.328%0.28119%0.187SC..Hα-helixtrans-62.3-33.9176.500000112.5G398 L399 A400 V404 D405 R406G398-A402 WeakPolarHBondContact O-CB 3.44Å; G398-A402 PolarHBondContact O-N 2.9Å; L399-A402 PolarHBondContact O-N 3.19Å; A400-A402 PolarHBondContact O-N 2.85Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 2.8Å; A402-D405 PolarHBondContact O-N 2.98Å; A402-R406 WeakPolarHBondContact O-CG 3.4Å; A402-R406 PolarHBondContact O-N 3.06Å
403A95.9Very high93.8Very high0 Ų031.6 Ų31.60%019%0.189CC..Hα-helixtrans-61.9-40.317500000112Y360 E364 L368 L399 A400 G401 D405 R406 C407 L419 L423Y360-A403 PolarHBondContact OH-O 3.25Å; E364-A403 HydrophobicContact CG-CB 4.27Å; E364-A403 WeakPolarHBondContact OE1-CA 3.44Å; E364-A403 WeakPolarHBondContact OE1-CB 3.31Å; L368-A403 HydrophobicContact CD1-CB 4.02Å; L368-A403 HydrophobicContact CD2-CB 4.27Å; L399-A403 PolarHBondContact O-N 3.47Å; A400-A403 WeakPolarHBondContact O-CB 3.3Å; A400-A403 PolarHBondContact O-N 3.04Å; G401-A403 VanDerWaalsContact C-N 3.27Å; G401-A403 PolarHBondContact O-N 2.96Å; A403-D405 VanDerWaalsContact C-N 3.34Å; A403-D405 PolarHBondContact O-N 3.39Å; A403-R406 PolarHBondContact O-N 2.84Å; A403-C407 WeakPolarHBondContact O-CB 3.33Å; A403-C407 PolarHBondContact O-N 2.97Å; A403-L419 HydrophobicContact CB-CD1 3.74Å; A403-L423 HydrophobicContact CB-CD2 4.28Å
404V94.3Very high93.4Very high7 Ų731.6 Ų31.64%0.04219%0.189CC..Hα-helixtrans-63.1-42.5175.4-171.80000110.8A400 G401 A402 C407 V408 L419 Y483 L487 K490A400-V404 PolarHBondContact O-N 3.4Å; G401-V404 WeakPolarHBondContact O-CB 3.25Å; G401-V404 PolarHBondContact O-N 3.07Å; G401-V404 VanDerWaalsContact O-N 3.16Å; A402-V404 VanDerWaalsContact C-N 3.33Å; A402-V404 PolarHBondContact O-N 2.8Å; V404-C407 PolarHBondContact O-N 3.17Å; V404-V408 WeakPolarHBondContact O-CG2 3.47Å; V404-V408 PolarHBondContact O-N 3.38Å; V404-L419 HydrophobicContact CB-CD2 4.47Å; V404-L419 HydrophobicContact CG2-CD2 4.21Å; V404-Y483 WeakPolarHBondContact CG2-OH 3.45Å; V404-L487 HydrophobicContact CG1-CD1 4.32Å; V404-L487 HydrophobicContact CG2-CD1 3.6Å; V404-K490 HydrophobicContact CG1-CD 3.65Å; V404-K490 HydrophobicContact CG1-CG 3.99Å
405D93.8Very high93.3Very high69 Ų6929.9 Ų29.937%0.36917%0.171SC..Hα-helixtrans-63.5-43.1177.1-74.7-41.8000112.6G401 A402 A403 C407 V408 K409 K490G401-D405 PolarHBondContact O-N 3.43Å; A402-D405 PolarHBondContact O-N 2.98Å; A403-D405 VanDerWaalsContact C-N 3.34Å; A403-D405 PolarHBondContact O-N 3.39Å; D405-C407 VanDerWaalsContact C-N 3.35Å; D405-V408 PolarHBondContact O-N 3.31Å; D405-K409 WeakPolarHBondContact O-CB 3.32Å; D405-K409 VanDerWaalsContact O-CG 3.28Å; D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3.43Å; D405-K490 WeakPolarHBondContact OD1-CE 3.41Å; D405-K490 IonicContact OD1-NZ 3.61Å; D405-K490 PolarHBondContact OD1-NZ 3.13Å; D405-K490 IonicContact OD2-NZ 2.69Å
406R94.8Very high93Very high29 Ų2925.8 Ų25.811%0.10915%0.153CC..Hα-helixtrans-61.4-43.3174.8-73.1-171.2-69.6-92.7-3.8111.7L313 E364 A402 A403 V408 K409 L410L313-R406 HydrophobicContact CD1-CB 3.96Å; L313-R406 HydrophobicContact CD1-CG 3.55Å; E364-R406 IonicContact OE1-CZ 3.13Å; E364-R406 VanDerWaalsContact OE1-CZ 3.31Å; E364-R406 IonicContact OE1-NE 2.68Å; E364-R406 PolarHBondContact OE1-NE 2.98Å; E364-R406 IonicContact OE1-NH2 2.72Å; E364-R406 PolarHBondContact OE1-NH2 3.1Å; E364-R406 IonicContact OE2-NE 2.77Å; E364-R406 PolarHBondContact OE2-NE 3.28Å; A402-R406 WeakPolarHBondContact O-CG 3.4Å; A402-R406 PolarHBondContact O-N 3.06Å; A403-R406 PolarHBondContact O-N 2.84Å; R406-V408 VanDerWaalsContact C-N 3.34Å; R406-V408 PolarHBondContact O-N 2.98Å; R406-K409 PolarHBondContact O-N 3.13Å; R406-L410 PolarHBondContact O-N 3.38Å
407C94.4Very high92.8Very high3 Ų327.9 Ų27.92%0.0217%0.167CC..Hα-helixtrans-59.2-45.8178.3-177.10000111.4Y360 A403 V404 D405 T411 L419Y360-C407 HydrophobicContact CE1-CB 3.64Å; Y360-C407 WeakPolarHBondContact OH-CA 3.44Å; Y360-C407 WeakPolarHBondContact OH-CB 3.49Å; Y360-C407 PolarHBondContact OH-N 2.84Å; A403-C407 WeakPolarHBondContact O-CB 3.33Å; A403-C407 PolarHBondContact O-N 2.97Å; V404-C407 PolarHBondContact O-N 3.17Å; D405-C407 VanDerWaalsContact C-N 3.35Å; C407-T411 PolarHBondContact O-N 3.3Å; C407-T411 PolarHBondContact O-OG1 3.38Å; C407-L419 HydrophobicContact CB-CD1 4.29Å; C407-L419 HydrophobicContact CB-CD2 3.82Å; C407-L419 HydrophobicContact CB-CG 4.43Å
408V91.9Very high92.6Very high38 Ų3827.9 Ų27.923%0.2317%0.173CC..Hα-helixtrans-64.8-43.9176.8175.30000111.1V404 D405 R406 L410 D412 T494V404-V408 WeakPolarHBondContact O-CG2 3.47Å; V404-V408 PolarHBondContact O-N 3.38Å; D405-V408 PolarHBondContact O-N 3.31Å; R406-V408 VanDerWaalsContact C-N 3.34Å; R406-V408 PolarHBondContact O-N 2.98Å; V408-L410 PolarHBondContact O-N 2.95Å; V408-D412 VanDerWaalsContact O-CA 3.25Å; V408-D412 WeakPolarHBondContact O-CA 3.41Å; V408-D412 PolarHBondContact O-N 2.9Å; V408-T494 HydrophobicContact CG1-CG2 4.08Å; V408-T494 HydrophobicContact CG2-CG2 3.91Å
409K91.3Very high92.5Very high149 Ų14925.8 Ų25.865%0.64815%0.151SC*.Hα-helixtrans-62.4-39.6180-75.3173.9-178179.40113.6L313 D405 R406L313-K409 HydrophobicContact CD2-CB 3.96Å; D405-K409 WeakPolarHBondContact O-CB 3.32Å; D405-K409 VanDerWaalsContact O-CG 3.28Å; D405-K409 WeakPolarHBondContact O-CG 3.49Å; D405-K409 PolarHBondContact O-N 3.43Å; R406-K409 PolarHBondContact O-N 3.13Å
410L91.8Very high92.4Very high1 Ų125.2 Ų25.21%0.00515%0.148CC..Hα-helixtrans-88-35.6-176.8-170.963.9000113.3L309 L312 L313 H316 Q357 Y360 R406 V408L309-L410 HydrophobicContact CD1-CD2 4.45Å; L312-L410 HydrophobicContact CD2-CD1 4.36Å; L312-L410 HydrophobicContact CD2-CD2 3.85Å; L312-L410 HydrophobicContact CG-CD1 4.17Å; L312-L410 HydrophobicContact CG-CD2 4.48Å; L313-L410 HydrophobicContact CD2-CB 3.7Å; L313-L410 HydrophobicContact CD2-CD1 4.43Å; H316-L410 HydrophobicContact CB-CD1 3.64Å; H316-L410 PolarHBondContact CE1-O 3.11Å; H316-L410 VanDerWaalsContact CE1-O 3.31Å; Q357-L410 HydrophobicContact CG-CG 4.25Å; Q357-L410 PolarHBondContact NE2-O 3.38Å; Y360-L410 HydrophobicContact CD2-CD2 3.53Å; Y360-L410 HydrophobicContact CE2-CD2 4.13Å; Y360-L410 HydrophobicContact CG-CD2 4.37Å; R406-L410 PolarHBondContact O-N 3.38Å; V408-L410 PolarHBondContact O-N 2.95Å
411T90.6Very high92.4Very high4 Ų430.2 Ų30.23%0.02517%0.17CC..Hα-helixtrans-127.92.8-165.271.80000114.2Q357 Y360 C407 G413 L414 A415 Y532Q357-T411 HydrophobicContact CB-CG2 4.33Å; Q357-T411 HydrophobicContact CG-CG2 4.29Å; Y360-T411 HydrophobicContact CG-CG2 4.31Å; C407-T411 PolarHBondContact O-N 3.3Å; C407-T411 PolarHBondContact O-OG1 3.38Å; T411-G413 PolarHBondContact O-N 3.42Å; T411-G413 VanDerWaalsContact O-N 3.11Å; T411-L414 WeakPolarHBondContact O-CB 3.34Å; T411-L414 WeakPolarHBondContact O-CG 3.23Å; T411-L414 PolarHBondContact O-N 2.94Å; T411-A415 HydrophobicContact CG2-CB 3.69Å; T411-A415 WeakPolarHBondContact OG1-CB 3.37Å; T411-A415 PolarHBondContact OG1-N 3.37Å; T411-Y532 WeakPolarHBondContact CB-OH 3.48Å; T411-Y532 HydrophobicContact CG2-CE1 4.15Å
412D85.9Confident92.4Very high65 Ų6529.1 Ų29.135%0.34816%0.159SC..THydrogen-bonded Turntrans54.729.2-177.3-156.48.8000112.9V408 K497 Y498V408-D412 VanDerWaalsContact O-CA 3.25Å; V408-D412 WeakPolarHBondContact O-CA 3.41Å; V408-D412 PolarHBondContact O-N 2.9Å; D412-K497 IonicContact OD1-NZ 2.79Å; D412-K497 PolarHBondContact OD1-NZ 3.2Å; D412-K497 WeakPolarHBondContact OD2-CE 3.47Å; D412-K497 IonicContact OD2-NZ 2.9Å; D412-K497 PolarHBondContact OD2-NZ 3.33Å; D412-Y498 PolarHBondContact OD2-OH 3.23Å
413G85.3Confident92.5Very high5 Ų527.5 Ų27.55%0.05215%0.145CC..THydrogen-bonded Turntrans84.80.7-179.100000115.5T411T411-G413 PolarHBondContact O-N 3.42Å; T411-G413 VanDerWaalsContact O-N 3.11Å
414L88.4Confident92.5Very high4 Ų430.5 Ų30.52%0.02116%0.158CC..THydrogen-bonded Turntrans-72.3-27.1-179.5-65.9170.1000113.1T411 L416 Y498 Y532 L533 L544T411-L414 WeakPolarHBondContact O-CB 3.34Å; T411-L414 WeakPolarHBondContact O-CG 3.23Å; T411-L414 PolarHBondContact O-N 2.94Å; L414-L416 PolarHBondContact O-N 3.46Å; L414-L416 VanDerWaalsContact O-N 3.15Å; L414-Y498 HydrophobicContact CD2-CD1 4.5Å; L414-Y498 HydrophobicContact CD2-CD2 3.71Å; L414-Y498 HydrophobicContact CD2-CE1 4.48Å; L414-Y498 HydrophobicContact CD2-CE2 3.7Å; L414-Y498 HydrophobicContact CD2-CG 4.13Å; L414-Y498 HydrophobicContact CG-CD2 4.49Å; L414-Y498 HydrophobicContact CG-CE2 3.99Å; L414-Y532 HydrophobicContact CB-CE1 3.66Å; L414-Y532 HydrophobicContact CD1-CD1 3.98Å; L414-Y532 HydrophobicContact CD1-CE1 3.74Å; L414-Y532 HydrophobicContact CG-CE1 4.32Å; L414-L533 HydrophobicContact CB-CB 4.48Å; L414-L533 HydrophobicContact CB-CD2 4.45Å; L414-L544 HydrophobicContact CB-CD2 4.5Å; L414-L544 HydrophobicContact CD2-CD2 3.93Å; L414-L544 WeakPolarHBondContact O-CD2 3.2Å
415A90.9Very high92.6Very high11 Ų1131.2 Ų31.29%0.09117%0.165CC..THydrogen-bonded Turntrans-83.223.1177.600000114Y360 T411 C417 G418 L419 Y532Y360-A415 HydrophobicContact CD1-CB 3.41Å; Y360-A415 VanDerWaalsContact CD1-CB 3.41Å; Y360-A415 HydrophobicContact CE1-CB 4.23Å; Y360-A415 HydrophobicContact CG-CB 4.04Å; T411-A415 HydrophobicContact CG2-CB 3.69Å; T411-A415 WeakPolarHBondContact OG1-CB 3.37Å; T411-A415 PolarHBondContact OG1-N 3.37Å; A415-C417 VanDerWaalsContact C-N 3.31Å; A415-C417 PolarHBondContact O-N 3.28Å; A415-G418 PolarHBondContact O-N 3.12Å; A415-L419 PolarHBondContact O-N 2.82Å; A415-Y532 WeakPolarHBondContact CA-OH 3.48Å; A415-Y532 WeakPolarHBondContact CB-OH 3.12Å; A415-Y532 PolarHBondContact N-OH 2.74Å; A415-Y532 VanDerWaalsContact N-OH 3.12Å
416L90.8Very high92.8Very high4 Ų428 Ų282%0.02115%0.147CC..Hα-helixtrans-56.7-40.4-176.1173.561.2000113.5L414 G418 L419 L420 I491 L544 L547 L548L414-L416 PolarHBondContact O-N 3.46Å; L414-L416 VanDerWaalsContact O-N 3.15Å; L416-G418 VanDerWaalsContact C-N 3.27Å; L416-G418 PolarHBondContact O-N 3.35Å; L416-L419 HydrophobicContact CD1-CD2 4.2Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 3.46Å; L416-L419 VanDerWaalsContact O-N 3.17Å; L416-L420 HydrophobicContact CD1-CD1 4.23Å; L416-L420 HydrophobicContact CD1-CD2 4.37Å; L416-L420 HydrophobicContact CD1-CG 3.93Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 HydrophobicContact CG-CG 4.33Å; L416-L420 WeakPolarHBondContact O-CG 3.34Å; L416-L420 PolarHBondContact O-N 2.95Å; L416-I491 HydrophobicContact CD1-CD1 3.39Å; L416-I491 HydrophobicContact CD1-CG1 3.58Å; L416-I491 HydrophobicContact CD2-CB 4.2Å; L416-I491 HydrophobicContact CD2-CD1 3.78Å; L416-I491 HydrophobicContact CD2-CG1 3.8Å; L416-I491 HydrophobicContact CD2-CG2 3.36Å; L416-I491 HydrophobicContact CG-CD1 4.19Å; L416-I491 HydrophobicContact CG-CG1 4.32Å; L416-L544 HydrophobicContact CB-CD1 3.72Å; L416-L544 HydrophobicContact CD2-CD1 3.97Å; L416-L544 HydrophobicContact CG-CD1 4.34Å; L416-L547 HydrophobicContact CD2-CD2 3.65Å; L416-L548 HydrophobicContact CD2-CD2 4.27Å
417C90.9Very high92.9Very high44 Ų4426.6 Ų26.630%0.29714%0.142SC..Hα-helixtrans-59.7-41.6177.9-63.60000111.4A415 K421A415-C417 VanDerWaalsContact C-N 3.31Å; A415-C417 PolarHBondContact O-N 3.28Å; C417-K421 PolarHBondContact O-N 3.36Å
418G93.1Very high93.1Very high21 Ų2129.3 Ų29.322%0.21617%0.165CC..Hα-helixtrans-66.9-40.8173.700000112.6A415 L416 L420 K421 A422A415-G418 PolarHBondContact O-N 3.12Å; L416-G418 VanDerWaalsContact C-N 3.27Å; L416-G418 PolarHBondContact O-N 3.35Å; G418-L420 PolarHBondContact O-N 3.01Å; G418-K421 WeakPolarHBondContact O-CB 3.47Å; G418-K421 PolarHBondContact O-N 3.21Å; G418-A422 PolarHBondContact O-N 3.03Å
419L95.1Very high93.3Very high3 Ų330 Ų302%0.01617%0.165CC..Hα-helixtrans-60.1-44.5174.917766.4000111.9Y360 E364 A403 V404 C407 A415 L416 K421 A422 L423Y360-L419 HydrophobicContact CE1-CB 4.42Å; E364-L419 HydrophobicContact CG-CD1 4.33Å; A403-L419 HydrophobicContact CB-CD1 3.74Å; V404-L419 HydrophobicContact CB-CD2 4.47Å; V404-L419 HydrophobicContact CG2-CD2 4.21Å; C407-L419 HydrophobicContact CB-CD1 4.29Å; C407-L419 HydrophobicContact CB-CD2 3.82Å; C407-L419 HydrophobicContact CB-CG 4.43Å; A415-L419 PolarHBondContact O-N 2.82Å; L416-L419 HydrophobicContact CD1-CD2 4.2Å; L416-L419 WeakPolarHBondContact O-CB 3.48Å; L416-L419 PolarHBondContact O-N 3.46Å; L416-L419 VanDerWaalsContact O-N 3.17Å; L419-K421 VanDerWaalsContact C-N 3.31Å; L419-K421 PolarHBondContact O-N 3.02Å; L419-A422 PolarHBondContact O-N 2.93Å; L419-L423 HydrophobicContact CD1-CD1 4.37Å; L419-L423 HydrophobicContact CD1-CG 4.21Å; L419-L423 HydrophobicContact CG-CD1 4.09Å; L419-L423 HydrophobicContact CG-CG 4.34Å; L419-L423 WeakPolarHBondContact O-CB 3.29Å; L419-L423 WeakPolarHBondContact O-CG 3.39Å; L419-L423 PolarHBondContact O-N 2.71Å
420L94.4Very high93.6Very high16 Ų1623 Ų238%0.08413%0.134CC..Hα-helixtrans-63.3-38.6178.4-70.2173.3000111.6L416 G418 K424 L487 L547 L561L416-L420 HydrophobicContact CD1-CD1 4.23Å; L416-L420 HydrophobicContact CD1-CD2 4.37Å; L416-L420 HydrophobicContact CD1-CG 3.93Å; L416-L420 HydrophobicContact CG-CD1 4.17Å; L416-L420 HydrophobicContact CG-CG 4.33Å; L416-L420 WeakPolarHBondContact O-CG 3.34Å; L416-L420 PolarHBondContact O-N 2.95Å; G418-L420 PolarHBondContact O-N 3.01Å; L420-K424 WeakPolarHBondContact O-CB 3.48Å; L420-K424 VanDerWaalsContact O-CG 3.26Å; L420-K424 WeakPolarHBondContact O-CG 3.16Å; L420-K424 PolarHBondContact O-N 3.41Å; L420-L487 HydrophobicContact CD2-CD2 4.01Å; L420-L547 HydrophobicContact CD1-CD1 3.58Å; L420-L561 HydrophobicContact CD1-CD2 3.97Å; L420-L561 HydrophobicContact CD2-CB 4.18Å; L420-L561 HydrophobicContact CD2-CD2 4.45Å
421K94.9Very high93.8Very high105 Ų10523.1 Ų23.146%0.45714%0.135SC..Hα-helixtrans-60.1-49.4171.9-179-167.6167.2-162.50110.9D362 E365 C417 G418 L419 L423 K424 A425D362-K421 IonicContact OD1-NZ 3.76Å; D362-K421 PolarHBondContact OD1-NZ 3.28Å; E365-K421 WeakPolarHBondContact OE2-CE 3.33Å; E365-K421 IonicContact OE2-NZ 3.81Å; C417-K421 PolarHBondContact O-N 3.36Å; G418-K421 WeakPolarHBondContact O-CB 3.47Å; G418-K421 PolarHBondContact O-N 3.21Å; L419-K421 VanDerWaalsContact C-N 3.31Å; L419-K421 PolarHBondContact O-N 3.02Å; K421-L423 PolarHBondContact O-N 3.46Å; K421-K424 PolarHBondContact O-N 2.79Å; K421-A425 PolarHBondContact O-N 3.03Å
422A97Very high94Very high0 Ų026.1 Ų26.10%016%0.157CC..Hα-helixtrans-62.1-42.3179.200000112.8E364 E365 L368 G418 L419 A425 L426E364-A422 HydrophobicContact CB-CB 4.17Å; E364-A422 HydrophobicContact CG-CB 4.05Å; E365-A422 HydrophobicContact CB-CB 3.9Å; L368-A422 HydrophobicContact CD1-CB 4.25Å; G418-A422 PolarHBondContact O-N 3.03Å; L419-A422 PolarHBondContact O-N 2.93Å; A422-A425 PolarHBondContact O-N 2.62Å; A422-L426 PolarHBondContact O-N 2.98Å
423L96.8Very high94.5Very high0 Ų025.6 Ų25.60%015%0.154CC..Hα-helixtrans-62.6-43.4175.5-72.4175.6000111.6A400 A403 L419 K421 A425 L426 F427 Y483 L487A400-L423 HydrophobicContact CB-CD2 3.81Å; A403-L423 HydrophobicContact CB-CD2 4.28Å; L419-L423 HydrophobicContact CD1-CD1 4.37Å; L419-L423 HydrophobicContact CD1-CG 4.21Å; L419-L423 HydrophobicContact CG-CD1 4.09Å; L419-L423 HydrophobicContact CG-CG 4.34Å; L419-L423 WeakPolarHBondContact O-CB 3.29Å; L419-L423 WeakPolarHBondContact O-CG 3.39Å; L419-L423 PolarHBondContact O-N 2.71Å; K421-L423 PolarHBondContact O-N 3.46Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.35Å; L423-L426 HydrophobicContact CD2-CD2 4.4Å; L423-L426 WeakPolarHBondContact O-CB 3.33Å; L423-L426 PolarHBondContact O-N 3.14Å; L423-F427 WeakPolarHBondContact O-CD2 3.33Å; L423-F427 PolarHBondContact O-N 2.91Å; L423-Y483 HydrophobicContact CD1-CE1 4.38Å; L423-L487 HydrophobicContact CD1-CD1 4.48Å; L423-L487 HydrophobicContact CD1-CD2 3.99Å
424K95.9Very high94.9Very high63 Ų6325.4 Ų25.427%0.27415%0.151SC..Hα-helixtrans-59.3-42.9175.1-74.6173.5170.4-152.40111.8L420 K421 F427 A428 E564 P565L420-K424 WeakPolarHBondContact O-CB 3.48Å; L420-K424 VanDerWaalsContact O-CG 3.26Å; L420-K424 WeakPolarHBondContact O-CG 3.16Å; L420-K424 PolarHBondContact O-N 3.41Å; K421-K424 PolarHBondContact O-N 2.79Å; K424-F427 PolarHBondContact O-N 3.5Å; K424-A428 VanDerWaalsContact O-CB 3.3Å; K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.03Å; K424-E564 WeakPolarHBondContact CD-OE2 3.49Å; K424-E564 WeakPolarHBondContact CE-OE2 3.32Å; K424-E564 IonicContact NZ-OE1 3.53Å; K424-E564 PolarHBondContact NZ-OE1 3.35Å; K424-E564 IonicContact NZ-OE2 3.37Å; K424-E564 PolarHBondContact NZ-OE2 3.07Å; K424-P565 HydrophobicContact CG-CG 4.31Å
425A97.4Very high95.2Very high22 Ų2225.9 Ų25.918%0.18216%0.155CC..Hα-helixtrans-63.6-41.917600000112.3E365 L369 K421 A422 L423 A428 K429E365-A425 HydrophobicContact CG-CB 3.81Å; L369-A425 HydrophobicContact CD2-CB 4.48Å; K421-A425 PolarHBondContact O-N 3.03Å; A422-A425 PolarHBondContact O-N 2.62Å; L423-A425 VanDerWaalsContact C-N 3.31Å; L423-A425 PolarHBondContact O-N 3.35Å; A425-A428 PolarHBondContact O-N 3.16Å; A425-K429 WeakPolarHBondContact O-CB 3.48Å; A425-K429 PolarHBondContact O-N 2.77Å
426L97.6Very high95.4Very high0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-56.6-53.3173.9171.767.5000111.6L368 I372 L396 L399 A400 A422 L423 A428 K429 Y430L368-L426 HydrophobicContact CB-CB 4.47Å; L368-L426 HydrophobicContact CB-CD1 4.33Å; L368-L426 HydrophobicContact CD1-CB 4.33Å; L368-L426 HydrophobicContact CD1-CD2 4.25Å; L368-L426 HydrophobicContact CD2-CD2 4.25Å; I372-L426 HydrophobicContact CB-CD1 3.65Å; I372-L426 HydrophobicContact CD1-CD1 4.19Å; I372-L426 HydrophobicContact CG1-CD1 3.87Å; I372-L426 HydrophobicContact CG2-CD1 3.97Å; L396-L426 HydrophobicContact CD1-CD1 4.12Å; L396-L426 HydrophobicContact CD1-CD2 4.08Å; L396-L426 HydrophobicContact CD1-CG 3.82Å; L399-L426 HydrophobicContact CB-CD2 4.45Å; A400-L426 HydrophobicContact CB-CD2 4.12Å; A422-L426 PolarHBondContact O-N 2.98Å; L423-L426 HydrophobicContact CD2-CD2 4.4Å; L423-L426 WeakPolarHBondContact O-CB 3.33Å; L423-L426 PolarHBondContact O-N 3.14Å; L426-A428 PolarHBondContact O-N 3.34Å; L426-K429 PolarHBondContact O-N 3.47Å; L426-Y430 WeakPolarHBondContact O-CB 3.36Å; L426-Y430 PolarHBondContact O-N 3.37Å
427F97.2Very high95.5Very high0 Ų028.8 Ų28.80%017%0.172CC..Hα-helixtrans-63.7-39.8178.8-79.1-75.5000112.1L396 F397 L423 K424 Y430 V431 Y483 L562 P565L396-F427 HydrophobicContact CD1-CD1 4.35Å; L396-F427 HydrophobicContact CD1-CE1 4.37Å; L396-F427 HydrophobicContact CD2-CD1 3.91Å; L396-F427 HydrophobicContact CD2-CE1 3.69Å; L396-F427 HydrophobicContact CG-CD1 4.46Å; L396-F427 HydrophobicContact CG-CE1 4.09Å; F397-F427 HydrophobicContact CD1-CZ 4.34Å; F397-F427 AromaticContact CE1-CE1 3.93Å; F397-F427 HydrophobicContact CE1-CE1 3.93Å; F397-F427 AromaticContact CE1-CZ 3.75Å; F397-F427 HydrophobicContact CE1-CZ 3.75Å; F397-F427 HydrophobicContact CZ-CE1 4.01Å; F397-F427 HydrophobicContact CZ-CZ 4.31Å; L423-F427 WeakPolarHBondContact O-CD2 3.33Å; L423-F427 PolarHBondContact O-N 2.91Å; K424-F427 PolarHBondContact O-N 3.5Å; F427-Y430 PolarHBondContact O-N 3.23Å; F427-V431 WeakPolarHBondContact O-CB 3.19Å; F427-V431 VanDerWaalsContact O-CG2 3.26Å; F427-V431 WeakPolarHBondContact O-CG2 3.41Å; F427-V431 PolarHBondContact O-N 3.5Å; F427-Y483 HydrophobicContact CE2-CE1 4.48Å; F427-Y483 HydrophobicContact CZ-CD1 4.45Å; F427-L562 HydrophobicContact CE2-CD1 4.21Å; F427-L562 HydrophobicContact CE2-CD2 4.47Å; F427-P565 HydrophobicContact CB-CB 3.79Å; F427-P565 HydrophobicContact CB-CG 3.95Å; F427-P565 HydrophobicContact CD1-CB 4.33Å; F427-P565 HydrophobicContact CD2-CB 4.08Å; F427-P565 HydrophobicContact CD2-CG 4.06Å; F427-P565 HydrophobicContact CG-CB 3.82Å; F427-P565 HydrophobicContact CG-CG 4.15Å
428A97Very high95.5Very high61 Ų6127.2 Ų27.250%0.50416%0.161SC..Hα-helixtrans-62.1-44178.300000111.9K424 A425 L426 S432K424-A428 VanDerWaalsContact O-CB 3.3Å; K424-A428 WeakPolarHBondContact O-CB 3.28Å; K424-A428 PolarHBondContact O-N 3.03Å; A425-A428 PolarHBondContact O-N 3.16Å; L426-A428 PolarHBondContact O-N 3.34Å; A428-S432 WeakPolarHBondContact O-CB 3.44Å; A428-S432 PolarHBondContact O-N 3.23Å
429K96.5Very high95.4Very high51 Ų5131.6 Ų31.622%0.22218%0.175CC..Hα-helixtrans-63.5-49175.4178.4164.5177.5176.20111.7L369 I372 S373 A425 L426 V431 S432 D433L369-K429 HydrophobicContact CB-CD 4.37Å; L369-K429 HydrophobicContact CD2-CB 3.81Å; L369-K429 HydrophobicContact CD2-CD 3.44Å; L369-K429 VanDerWaalsContact CD2-CD 3.44Å; L369-K429 HydrophobicContact CD2-CG 4.28Å; L369-K429 HydrophobicContact CG-CD 4.46Å; L369-K429 PolarHBondContact O-NZ 3.38Å; I372-K429 HydrophobicContact CG2-CB 4.5Å; I372-K429 HydrophobicContact CG2-CD 3.58Å; I372-K429 HydrophobicContact CG2-CG 4Å; S373-K429 WeakPolarHBondContact OG-CE 3.2Å; S373-K429 PolarHBondContact OG-NZ 3.48Å; A425-K429 WeakPolarHBondContact O-CB 3.48Å; A425-K429 PolarHBondContact O-N 2.77Å; L426-K429 PolarHBondContact O-N 3.47Å; K429-V431 VanDerWaalsContact C-N 3.34Å; K429-V431 PolarHBondContact O-N 2.93Å; K429-S432 WeakPolarHBondContact O-CB 3.44Å; K429-S432 PolarHBondContact O-N 3.16Å; K429-S432 VanDerWaalsContact O-N 3.08Å; K429-D433 PolarHBondContact O-N 3.21Å
430Y97.2Very high95.2Very high2 Ų232.4 Ų32.41%0.00818%0.182CC..Hα-helixtrans-56.7-46.1177.4177.2-98.2000112.4I372 L377 S392 L396 L426 F427 S432 D433 F434 L476I372-Y430 HydrophobicContact CD1-CD2 4.04Å; I372-Y430 HydrophobicContact CG1-CD2 4.47Å; L377-Y430 HydrophobicContact CD2-CE2 4.3Å; S392-Y430 WeakPolarHBondContact OG-CE2 3.48Å; S392-Y430 PolarHBondContact OG-OH 3.25Å; L396-Y430 HydrophobicContact CB-CD2 4.46Å; L396-Y430 HydrophobicContact CB-CE2 4.43Å; L396-Y430 HydrophobicContact CD1-CD1 4.5Å; L396-Y430 HydrophobicContact CD1-CD2 4.33Å; L396-Y430 HydrophobicContact CD1-CG 4Å; L396-Y430 HydrophobicContact CD2-CD1 3.53Å; L396-Y430 HydrophobicContact CD2-CD2 4.3Å; L396-Y430 HydrophobicContact CD2-CE1 3.69Å; L396-Y430 HydrophobicContact CD2-CE2 4.42Å; L396-Y430 HydrophobicContact CD2-CG 3.84Å; L396-Y430 HydrophobicContact CG-CG 4.41Å; L426-Y430 WeakPolarHBondContact O-CB 3.36Å; L426-Y430 PolarHBondContact O-N 3.37Å; F427-Y430 PolarHBondContact O-N 3.23Å; Y430-S432 VanDerWaalsContact C-N 3.3Å; Y430-S432 PolarHBondContact O-N 3.05Å; Y430-D433 PolarHBondContact O-N 3.02Å; Y430-F434 AromaticContact CE1-CD2 3.89Å; Y430-F434 HydrophobicContact CE1-CD2 3.89Å; Y430-F434 AromaticContact CZ-CD2 3.75Å; Y430-F434 VanDerWaalsContact O-CB 3.31Å; Y430-F434 WeakPolarHBondContact O-CB 3.39Å; Y430-F434 PolarHBondContact O-N 3.28Å; Y430-F434 WeakPolarHBondContact OH-CD2 3.19Å; Y430-L476 HydrophobicContact CE1-CD1 3.91Å; Y430-L476 HydrophobicContact CE1-CD2 3.62Å; Y430-L476 HydrophobicContact CE1-CG 4.46Å
431V96.7Very high95Very high4 Ų431.7 Ų31.72%0.02418%0.178CC..Hα-helixtrans-62.4-38.4177.3170.30000111.4F427 K429 S435 A568 L569F427-V431 WeakPolarHBondContact O-CB 3.19Å; F427-V431 VanDerWaalsContact O-CG2 3.26Å; F427-V431 WeakPolarHBondContact O-CG2 3.41Å; F427-V431 PolarHBondContact O-N 3.5Å; K429-V431 VanDerWaalsContact C-N 3.34Å; K429-V431 PolarHBondContact O-N 2.93Å; V431-S435 VanDerWaalsContact O-CB 3.28Å; V431-S435 WeakPolarHBondContact O-CB 3.38Å; V431-S435 PolarHBondContact O-N 2.99Å; V431-S435 PolarHBondContact O-OG 2.7Å; V431-A568 HydrophobicContact CG1-CB 4.25Å; V431-A568 HydrophobicContact CG2-CB 4.22Å; V431-L569 HydrophobicContact CG2-CD2 3.79Å; V431-L569 HydrophobicContact CG2-CG 4.37Å
432S95.7Very high94.7Very high68 Ų6829.7 Ų29.748%0.47617%0.167SC..Hα-helixtrans-63.5-47.6176-175.80000111.8A428 K429 Y430 S435 T436A428-S432 WeakPolarHBondContact O-CB 3.44Å; A428-S432 PolarHBondContact O-N 3.23Å; K429-S432 WeakPolarHBondContact O-CB 3.44Å; K429-S432 PolarHBondContact O-N 3.16Å; K429-S432 VanDerWaalsContact O-N 3.08Å; Y430-S432 VanDerWaalsContact C-N 3.3Å; Y430-S432 PolarHBondContact O-N 3.05Å; S432-S435 PolarHBondContact O-N 3.42Å; S432-T436 PolarHBondContact O-N 3.07Å; S432-T436 PolarHBondContact O-OG1 3.18Å
433D94.6Very high94.3Very high54 Ų5435.9 Ų35.929%0.28919%0.194SC..Hα-helixtrans-66-44.2-179.5-63-19.3000110.2L377 K429 Y430 S435 T436 T437L377-D433 HydrophobicContact CD1-CB 3.58Å; K429-D433 PolarHBondContact O-N 3.21Å; Y430-D433 PolarHBondContact O-N 3.02Å; D433-S435 PolarHBondContact O-N 3.24Å; D433-T436 WeakPolarHBondContact O-CB 3.14Å; D433-T436 PolarHBondContact O-N 3.26Å; D433-T436 VanDerWaalsContact O-N 3.14Å; D433-T437 PolarHBondContact O-N 2.99Å; D433-T437 PolarHBondContact O-OG1 3.43Å
434F95.6Very high93.7Very high0 Ų039.5 Ų39.50%021%0.21CC..Hα-helixtrans-60.1-44.6174.7-162-59.5000111.6L377 L389 Y430 T436 T437 L438 I469 T472 L476 L572L377-F434 HydrophobicContact CD1-CB 4.35Å; L389-F434 HydrophobicContact CB-CE2 4.09Å; L389-F434 HydrophobicContact CB-CZ 4.2Å; L389-F434 HydrophobicContact CD1-CE1 4.04Å; L389-F434 HydrophobicContact CD1-CZ 4.01Å; L389-F434 HydrophobicContact CD2-CD1 4.03Å; L389-F434 HydrophobicContact CD2-CD2 3.57Å; L389-F434 HydrophobicContact CD2-CE1 4.12Å; L389-F434 HydrophobicContact CD2-CE2 3.66Å; L389-F434 HydrophobicContact CD2-CG 3.77Å; L389-F434 HydrophobicContact CD2-CZ 3.94Å; L389-F434 HydrophobicContact CG-CE2 4.29Å; L389-F434 HydrophobicContact CG-CZ 4.28Å; Y430-F434 AromaticContact CE1-CD2 3.89Å; Y430-F434 HydrophobicContact CE1-CD2 3.89Å; Y430-F434 AromaticContact CZ-CD2 3.75Å; Y430-F434 VanDerWaalsContact O-CB 3.31Å; Y430-F434 WeakPolarHBondContact O-CB 3.39Å; Y430-F434 PolarHBondContact O-N 3.28Å; Y430-F434 WeakPolarHBondContact OH-CD2 3.19Å; F434-T436 PolarHBondContact O-N 3.35Å; F434-T437 WeakPolarHBondContact O-CB 3.46Å; F434-T437 PolarHBondContact O-N 2.88Å; F434-L438 HydrophobicContact CD1-CD1 3.89Å; F434-L438 HydrophobicContact CD1-CG 3.84Å; F434-L438 HydrophobicContact CE1-CD1 3.95Å; F434-L438 HydrophobicContact CE1-CD2 4.16Å; F434-L438 HydrophobicContact CE1-CG 3.87Å; F434-L438 PolarHBondContact O-N 2.95Å; F434-I469 HydrophobicContact CE1-CG2 3.92Å; F434-I469 HydrophobicContact CZ-CG2 4.03Å; F434-T472 HydrophobicContact CE2-CG2 4.15Å; F434-T472 HydrophobicContact CZ-CG2 4.27Å; F434-L476 HydrophobicContact CD2-CD1 4.23Å; F434-L476 HydrophobicContact CE2-CD1 3.77Å; F434-L476 HydrophobicContact CZ-CD1 4.44Å; F434-L572 HydrophobicContact CB-CD1 4.2Å; F434-L572 HydrophobicContact CB-CD2 4.02Å; F434-L572 HydrophobicContact CD1-CD1 3.65Å; F434-L572 HydrophobicContact CD1-CD2 3.63Å; F434-L572 HydrophobicContact CD1-CG 3.88Å; F434-L572 HydrophobicContact CD2-CD2 3.99Å; F434-L572 HydrophobicContact CE1-CD1 4.35Å; F434-L572 HydrophobicContact CE1-CD2 4.02Å; F434-L572 HydrophobicContact CE1-CG 4.2Å; F434-L572 HydrophobicContact CE2-CD2 4.36Å; F434-L572 HydrophobicContact CG-CD1 4.16Å; F434-L572 HydrophobicContact CG-CD2 3.62Å; F434-L572 HydrophobicContact CG-CG 4.34Å; F434-L572 HydrophobicContact CZ-CD2 4.36Å
435S94.8Very high93.1Very high14 Ų1437.8 Ų37.810%0.09821%0.206CC..Hα-helixtrans-60.9-36.6177.2-58.90000111.6V431 S432 D433 L438 Q439 L572 Q575V431-S435 VanDerWaalsContact O-CB 3.28Å; V431-S435 WeakPolarHBondContact O-CB 3.38Å; V431-S435 PolarHBondContact O-N 2.99Å; V431-S435 PolarHBondContact O-OG 2.7Å; S432-S435 PolarHBondContact O-N 3.42Å; D433-S435 PolarHBondContact O-N 3.24Å; S435-L438 WeakPolarHBondContact O-CB 3.48Å; S435-L438 PolarHBondContact O-N 3.07Å; S435-Q439 WeakPolarHBondContact O-CG 3.43Å; S435-Q439 PolarHBondContact O-N 3.48Å; S435-Q439 VanDerWaalsContact O-N 3.09Å; S435-L572 WeakPolarHBondContact OG-CD1 3.35Å; S435-Q575 PolarHBondContact OG-OE1 3.44Å
436T93.6Very high92.2Very high73 Ų7345.1 Ų45.145%0.44823%0.229SC..Hα-helixtrans-67.8-42.2176.3-53.90000110.8S432 D433 F434 L438 Q439 S440S432-T436 PolarHBondContact O-N 3.07Å; S432-T436 PolarHBondContact O-OG1 3.18Å; D433-T436 WeakPolarHBondContact O-CB 3.14Å; D433-T436 PolarHBondContact O-N 3.26Å; D433-T436 VanDerWaalsContact O-N 3.14Å; F434-T436 PolarHBondContact O-N 3.35Å; T436-L438 PolarHBondContact O-N 3.46Å; T436-Q439 WeakPolarHBondContact O-CB 3.34Å; T436-Q439 PolarHBondContact O-N 2.6Å; T436-S440 PolarHBondContact O-N 3.19Å
437T92.9Very high91.1Very high4 Ų446 Ų463%0.02523%0.233CC..Hα-helixtrans-62-41.2173.3-52.40000111.8L377 E378 C385 L389 D433 F434 Q439 S440 V441L377-T437 WeakPolarHBondContact CB-OG1 3.3Å; L377-T437 WeakPolarHBondContact O-CG2 3.32Å; E378-T437 HydrophobicContact CB-CG2 4.45Å; C385-T437 HydrophobicContact CB-CG2 4.23Å; L389-T437 HydrophobicContact CD1-CG2 4.06Å; L389-T437 HydrophobicContact CD2-CG2 4.01Å; L389-T437 HydrophobicContact CG-CG2 4.16Å; D433-T437 PolarHBondContact O-N 2.99Å; D433-T437 PolarHBondContact O-OG1 3.43Å; F434-T437 WeakPolarHBondContact O-CB 3.46Å; F434-T437 PolarHBondContact O-N 2.88Å; T437-Q439 VanDerWaalsContact C-N 3.32Å; T437-Q439 PolarHBondContact O-N 3.19Å; T437-S440 WeakPolarHBondContact O-CB 3.36Å; T437-S440 PolarHBondContact O-N 2.92Å; T437-S440 VanDerWaalsContact O-N 3.12Å; T437-V441 WeakPolarHBondContact O-CG2 3.49Å; T437-V441 PolarHBondContact O-N 3.41Å
438L92.3Very high89.6Confident10 Ų1051.6 Ų51.65%0.05226%0.259CS..Hα-helixtrans-58.3-42.4173.6-78.7175.8000112.2F434 S435 T436 S440 V441 R442 I469 L572 Q575 L579F434-L438 HydrophobicContact CD1-CD1 3.89Å; F434-L438 HydrophobicContact CD1-CG 3.84Å; F434-L438 HydrophobicContact CE1-CD1 3.95Å; F434-L438 HydrophobicContact CE1-CD2 4.16Å; F434-L438 HydrophobicContact CE1-CG 3.87Å; F434-L438 PolarHBondContact O-N 2.95Å; S435-L438 WeakPolarHBondContact O-CB 3.48Å; S435-L438 PolarHBondContact O-N 3.07Å; T436-L438 PolarHBondContact O-N 3.46Å; L438-S440 VanDerWaalsContact C-N 3.35Å; L438-V441 PolarHBondContact O-N 3.26Å; L438-R442 WeakPolarHBondContact O-CB 3.3Å; L438-R442 PolarHBondContact O-N 3.45Å; L438-I469 HydrophobicContact CD2-CD1 4.26Å; L438-I469 HydrophobicContact CD2-CG2 3.69Å; L438-L572 HydrophobicContact CD1-CD1 3.65Å; L438-L572 HydrophobicContact CD1-CG 4.3Å; L438-Q575 HydrophobicContact CD1-CB 4.08Å; L438-L579 HydrophobicContact CD2-CD2 4.09Å
439Q91.1Very high88.2Confident113 Ų11353 Ų5353%0.52826%0.259SS..Hα-helixtrans-65.5-37.7175.2-69.6174.910.700112S435 T436 T437 R442 K443S435-Q439 WeakPolarHBondContact O-CG 3.43Å; S435-Q439 PolarHBondContact O-N 3.48Å; S435-Q439 VanDerWaalsContact O-N 3.09Å; T436-Q439 WeakPolarHBondContact O-CB 3.34Å; T436-Q439 PolarHBondContact O-N 2.6Å; T437-Q439 VanDerWaalsContact C-N 3.32Å; T437-Q439 PolarHBondContact O-N 3.19Å; Q439-R442 WeakPolarHBondContact O-CB 3.45Å; Q439-R442 PolarHBondContact O-N 2.92Å; Q439-K443 WeakPolarHBondContact O-CG 3.4Å; Q439-K443 PolarHBondContact O-N 3.28Å; Q439-K443 VanDerWaalsContact O-N 3.13Å
440S90.2Very high86.4Confident21 Ų2158.3 Ų58.315%0.14729%0.286CS..Hα-helixtrans-64.4-45.9173.7-177.30000111.6E378 T436 T437 L438 R442 K443 K444E378-S440 VanDerWaalsContact OE1-CB 3.29Å; E378-S440 WeakPolarHBondContact OE1-CB 3.2Å; E378-S440 PolarHBondContact OE1-OG 3.39Å; T436-S440 PolarHBondContact O-N 3.19Å; T437-S440 WeakPolarHBondContact O-CB 3.36Å; T437-S440 PolarHBondContact O-N 2.92Å; T437-S440 VanDerWaalsContact O-N 3.12Å; L438-S440 VanDerWaalsContact C-N 3.35Å; S440-R442 VanDerWaalsContact C-N 3.32Å; S440-R442 PolarHBondContact O-N 3.47Å; S440-K443 PolarHBondContact O-N 2.93Å; S440-K443 VanDerWaalsContact O-N 3.15Å; S440-K444 WeakPolarHBondContact O-CG 3.45Å; S440-K444 PolarHBondContact O-N 2.95Å; S440-K444 WeakPolarHBondContact OG-CE 3.48Å
441V89.8Confident84.6Confident0 Ų060.2 Ų60.20%030%0.299CS..Hα-helixtrans-58.2-44.5174.9171.40000110.7V382 C385 T437 L438 K443 K444 C445 I469 L579V382-V441 HydrophobicContact CG1-CG1 3.83Å; C385-V441 HydrophobicContact CB-CG2 4.02Å; T437-V441 WeakPolarHBondContact O-CG2 3.49Å; T437-V441 PolarHBondContact O-N 3.41Å; L438-V441 PolarHBondContact O-N 3.26Å; V441-K443 VanDerWaalsContact C-N 3.31Å; V441-K443 PolarHBondContact O-N 2.91Å; V441-K444 PolarHBondContact O-N 3.39Å; V441-C445 WeakPolarHBondContact O-CB 3.23Å; V441-C445 PolarHBondContact O-N 2.98Å; V441-C445 PolarHBondContact O-SG 3.35Å; V441-C445 VanDerWaalsContact O-SG 3.37Å; V441-I469 HydrophobicContact CG1-CD1 4.3Å; V441-L579 HydrophobicContact CG1-CD2 4Å
442R89.2Confident82.5Confident63 Ų6364.7 Ų64.724%0.23833%0.33CS..Hα-helixtrans-54.7-44.8175.5-170-179.9-176.9101.56112.5L438 Q439 S440 R446 L447 E448 L579 D582L438-R442 WeakPolarHBondContact O-CB 3.3Å; L438-R442 PolarHBondContact O-N 3.45Å; Q439-R442 WeakPolarHBondContact O-CB 3.45Å; Q439-R442 PolarHBondContact O-N 2.92Å; S440-R442 VanDerWaalsContact C-N 3.32Å; S440-R442 PolarHBondContact O-N 3.47Å; R442-R446 PolarHBondContact O-N 3.47Å; R442-L447 HydrophobicContact CG-CB 4.07Å; R442-L447 HydrophobicContact CG-CD1 4.16Å; R442-L447 PolarHBondContact O-N 2.96Å; R442-E448 IonicContact NE-OE1 3.68Å; R442-L579 HydrophobicContact CB-CD1 3.63Å; R442-L579 HydrophobicContact CG-CD1 3.82Å; R442-D582 IonicContact CZ-OD2 3.82Å; R442-D582 IonicContact NH1-OD2 3.54Å; R442-D582 PolarHBondContact NH1-OD2 2.93Å; R442-D582 IonicContact NH2-OD2 2.58Å; R442-D582 PolarHBondContact NH2-OD2 3.35Å
443K87.4Confident80.4Confident130 Ų13066.5 Ų66.557%0.56535%0.349SS*.Hα-helixtrans-67.6-43.9176.4-71.1175.7-179.4177.50112.2Q439 S440 V441 C445 R446Q439-K443 WeakPolarHBondContact O-CG 3.4Å; Q439-K443 PolarHBondContact O-N 3.28Å; Q439-K443 VanDerWaalsContact O-N 3.13Å; S440-K443 PolarHBondContact O-N 2.93Å; S440-K443 VanDerWaalsContact O-N 3.15Å; V441-K443 VanDerWaalsContact C-N 3.31Å; V441-K443 PolarHBondContact O-N 2.91Å; K443-C445 VanDerWaalsContact C-N 3.28Å; K443-C445 PolarHBondContact O-N 3.33Å; K443-R446 PolarHBondContact O-N 2.9Å
444K85.2Confident78.4Confident77 Ų7767.6 Ų67.634%0.33537%0.366SS..Hα-helixtrans-62.6-35177.5-70.3179-173.3-179.90112.1E378 G380 V382 C385 S440 V441 R446E378-K444 IonicContact OE1-NZ 2.72Å; G380-K444 PolarHBondContact O-NZ 3.39Å; V382-K444 HydrophobicContact CG2-CB 3.55Å; V382-K444 HydrophobicContact CG2-CD 4.07Å; V382-K444 HydrophobicContact CG2-CG 4.46Å; C385-K444 PolarHBondContact SG-NZ 3.01Å; C385-K444 VanDerWaalsContact SG-NZ 3.43Å; S440-K444 WeakPolarHBondContact O-CG 3.45Å; S440-K444 PolarHBondContact O-N 2.95Å; S440-K444 WeakPolarHBondContact OG-CE 3.48Å; V441-K444 PolarHBondContact O-N 3.39Å; K444-R446 PolarHBondContact O-N 3.35Å
445C82.6Confident76.7Confident27 Ų2773.1 Ų73.118%0.18240%0.399CS..THydrogen-bonded Turntrans-76.71.8173.4-68.10000114.1V441 K443 L447 A462V441-C445 WeakPolarHBondContact O-CB 3.23Å; V441-C445 PolarHBondContact O-N 2.98Å; V441-C445 PolarHBondContact O-SG 3.35Å; V441-C445 VanDerWaalsContact O-SG 3.37Å; K443-C445 VanDerWaalsContact C-N 3.28Å; K443-C445 PolarHBondContact O-N 3.33Å; C445-L447 HydrophobicContact CB-CD1 4.12Å; C445-L447 HydrophobicContact CB-CD2 4.35Å; C445-L447 HydrophobicContact CB-CG 3.82Å; C445-L447 PolarHBondContact O-N 2.99Å; C445-A462 HydrophobicContact CB-CB 4.3Å
446R79.4Confident75.5Confident176 Ų17674.3 Ų74.366%0.66440%0.403SS*.THydrogen-bonded Turntrans5729.4177.9-62-176.8-172.5176.22.6114.5R442 K443 K444 E448 D449R442-R446 PolarHBondContact O-N 3.47Å; K443-R446 PolarHBondContact O-N 2.9Å; K444-R446 PolarHBondContact O-N 3.35Å; R446-E448 PolarHBondContact O-N 3.48Å; R446-E448 VanDerWaalsContact O-N 3.14Å; R446-D449 HydrophobicContact CB-CB 4.48Å; R446-D449 WeakPolarHBondContact CB-OD2 3.4Å; R446-D449 WeakPolarHBondContact CD-OD2 3.29Å; R446-D449 WeakPolarHBondContact CG-OD2 3.29Å; R446-D449 PolarHBondContact O-N 2.88Å
447L73.3Confident74.2Confident18 Ų1877 Ų779%0.09441%0.41CS..THydrogen-bonded Turntrans-73.3-4-178.6-57.4178.6000113.8R442 C445 L579 D582 L586R442-L447 HydrophobicContact CG-CB 4.07Å; R442-L447 HydrophobicContact CG-CD1 4.16Å; R442-L447 PolarHBondContact O-N 2.96Å; C445-L447 HydrophobicContact CB-CD1 4.12Å; C445-L447 HydrophobicContact CB-CD2 4.35Å; C445-L447 HydrophobicContact CB-CG 3.82Å; C445-L447 PolarHBondContact O-N 2.99Å; L447-L579 HydrophobicContact CD1-CD1 3.6Å; L447-L579 HydrophobicContact CD1-CG 4.46Å; L447-D582 HydrophobicContact CD1-CB 4.47Å; L447-L586 HydrophobicContact CD2-CD2 3.84Å
448E67.1Low73.1Confident117 Ų11782 Ų8255%0.54743%0.433SS..THydrogen-bonded Turntrans-107.6-4178.3-62.4-178.9173.500112.8R442 R446R442-E448 IonicContact NE-OE1 3.68Å; R446-E448 PolarHBondContact O-N 3.48Å; R446-E448 VanDerWaalsContact O-N 3.14Å
449D66.6Low72.4Confident92 Ų9285.7 Ų85.749%0.49245%0.453SS..  trans-71.2139.2-178.8-75-11.3000110.9R446R446-D449 HydrophobicContact CB-CB 4.48Å; R446-D449 WeakPolarHBondContact CB-OD2 3.4Å; R446-D449 WeakPolarHBondContact CD-OD2 3.29Å; R446-D449 WeakPolarHBondContact CG-OD2 3.29Å; R446-D449 PolarHBondContact O-N 2.88Å
450M59.8Low72.2Confident161 Ų16181.2 Ų81.279%0.79343%0.431SS*.  trans-67.4151174.6-72.3-65.5-72.900110.7S452M450-S452 VanDerWaalsContact C-N 3.34Å; M450-S452 PolarHBondContact O-N 2.82Å
451P58.1Low72.1Confident43 Ų4383.6 Ų83.628%0.27945%0.445SS..  trans-60.993.6177.622.1-31.6000110.7
452S52.8Low71.9Confident97 Ų9784.3 Ų84.368%0.67845%0.451SS*.  trans-74.8150.4161.8-174.40000107.8M450 A454M450-S452 VanDerWaalsContact C-N 3.34Å; M450-S452 PolarHBondContact O-N 2.82Å; S452-A454 PolarHBondContact O-N 3.37Å
453A51.3Low71.9Confident106 Ų10681.5 Ų81.588%0.87644%0.441SS*.SBendtrans-70.244.8177.300000112.2
454A53.2Low72Confident77 Ų7779.6 Ų79.664%0.63643%0.434SS*.PPolyproline II helixtrans-78.5142.2174.200000109.3S452S452-A454 PolarHBondContact O-N 3.37Å
455V60.8Low72.2Confident117 Ų11777 Ų7771%0.70942%0.423SS*.PPolyproline II helixtrans-48.8137.7176.3-179.90000110.3Q457V455-Q457 PolarHBondContact O-N 2.86Å; V455-Q457 VanDerWaalsContact O-N 3.14Å
456F69.7Low72.5Confident38 Ų3875.7 Ų75.717%0.16742%0.415CS..PPolyproline II helixtrans-56.4116.8172-174.3-104.6000109.4E458 Q587 Q591 N627 Y631F456-E458 HydrophobicContact CE1-CG 3.98Å; F456-Q587 HydrophobicContact CE2-CB 4.05Å; F456-Q591 HydrophobicContact CD2-CG 3.6Å; F456-Q591 HydrophobicContact CE2-CG 3.85Å; F456-N627 HydrophobicContact CD1-CB 4.1Å; F456-N627 HydrophobicContact CD2-CB 4.48Å; F456-N627 HydrophobicContact CE1-CB 4.16Å; F456-N627 HydrophobicContact CG-CB 4.27Å; F456-N627 HydrophobicContact CZ-CB 4.37Å; F456-Y631 AromaticContact CZ-CD2 4Å; F456-Y631 HydrophobicContact CZ-CD2 4Å; F456-Y631 AromaticContact CZ-CG 3.86Å; F456-Y631 HydrophobicContact CZ-CG 3.86Å
457Q66.3Low72.9Confident131 Ų13168.4 Ų68.461%0.61239%0.39SS*.  trans-120.8124.6-178.8-79.2-178-15.700109.9V455 D459V455-Q457 PolarHBondContact O-N 2.86Å; V455-Q457 VanDerWaalsContact O-N 3.14Å; Q457-D459 VanDerWaalsContact C-N 3.28Å; Q457-D459 PolarHBondContact O-N 3.18Å
458E68.9Low73.7Confident108 Ų10873.7 Ų73.751%0.50541%0.408SS..  trans-81.172173.3-62.6-175.1167.700110.2F456 Y631F456-E458 HydrophobicContact CE1-CG 3.98Å; E458-Y631 HydrophobicContact CG-CD2 4.27Å
459D78.3Confident74.9Confident87 Ų8768.1 Ų68.147%0.46538%0.382SS..  trans-97.6106.1173.3-172.51.6000111Q457 T461Q457-D459 VanDerWaalsContact C-N 3.28Å; Q457-D459 PolarHBondContact O-N 3.18Å; D459-T461 VanDerWaalsContact CG-OG1 3.28Å; D459-T461 VanDerWaalsContact OD1-CB 3.26Å; D459-T461 WeakPolarHBondContact OD1-CB 3.45Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.25Å; D459-T461 PolarHBondContact OD1-N 3.06Å; D459-T461 PolarHBondContact OD1-OG1 2.93Å; D459-T461 PolarHBondContact OD2-OG1 3.38Å
460W86.4Confident76.1Confident19 Ų1963.7 Ų63.77%0.07236%0.359CS..  trans-91.9-1.6179.3-67.498.6000113.7A462 F463 Q464 V584 Y631 L635 H638W460-A462 VanDerWaalsContact C-N 3.34Å; W460-A462 PolarHBondContact O-N 3.27Å; W460-F463 HydrophobicContact CE3-CB 4.12Å; W460-F463 AromaticContact CE3-CD1 3.91Å; W460-F463 HydrophobicContact CE3-CD1 3.91Å; W460-F463 HydrophobicContact CE3-CG 4.22Å; W460-F463 HydrophobicContact CZ3-CD1 4.22Å; W460-F463 PolarHBondContact O-N 3.33Å; W460-Q464 WeakPolarHBondContact O-CG 3.12Å; W460-Q464 PolarHBondContact O-N 2.95Å; W460-V584 HydrophobicContact CH2-CG1 4.37Å; W460-V584 HydrophobicContact CZ3-CG1 4.21Å; W460-V584 HydrophobicContact CZ3-CG2 4Å; W460-Y631 HydrophobicContact CD2-CE2 4.46Å; W460-Y631 AromaticContact CE2-CE2 3.64Å; W460-Y631 HydrophobicContact CH2-CD2 4.33Å; W460-Y631 HydrophobicContact CH2-CE1 4.21Å; W460-Y631 AromaticContact CH2-CE2 3.63Å; W460-Y631 HydrophobicContact CH2-CE2 3.63Å; W460-Y631 AromaticContact CH2-CZ 3.55Å; W460-Y631 AromaticContact CZ2-CD2 3.71Å; W460-Y631 HydrophobicContact CZ2-CD2 3.71Å; W460-Y631 AromaticContact CZ2-CE2 3.18Å; W460-Y631 HydrophobicContact CZ2-CE2 3.18Å; W460-Y631 AromaticContact CZ2-CZ 3.65Å; W460-Y631 HydrophobicContact CZ3-CE2 4.42Å; W460-L635 HydrophobicContact CH2-CB 4.02Å; W460-L635 HydrophobicContact CH2-CD1 3.64Å; W460-L635 HydrophobicContact CH2-CG 4.44Å; W460-L635 HydrophobicContact CZ3-CD1 3.59Å; W460-H638 AromaticContact CD1-CD2 3.9Å; W460-H638 AromaticContact CD1-CE1 3.75Å; W460-H638 AromaticContact CD1-NE2 3.33Å; W460-H638 VanDerWaalsContact CD1-NE2 3.33Å; W460-H638 HydrophobicContact CD2-CB 4.45Å; W460-H638 AromaticContact CD2-CD2 3.4Å; W460-H638 AromaticContact CD2-CG 3.77Å; W460-H638 AromaticContact CD2-NE2 3.68Å; W460-H638 AromaticContact CE2-CD2 3.22Å; W460-H638 AromaticContact CE2-NE2 3.46Å; W460-H638 HydrophobicContact CE3-CB 4.11Å; W460-H638 AromaticContact CE3-CD2 3.88Å; W460-H638 AromaticContact CE3-CG 3.93Å; W460-H638 AromaticContact CG-CD2 3.82Å; W460-H638 AromaticContact CG-CE1 3.76Å; W460-H638 AromaticContact CG-NE2 3.59Å; W460-H638 AromaticContact CZ2-CD2 3.55Å; W460-H638 HydrophobicContact CZ3-CB 4.24Å; W460-H638 AromaticContact NE1-CD2 3.55Å; W460-H638 AromaticContact NE1-NE2 3.22Å; W460-H638 PolarHBondContact NE1-NE2 2.98Å
461T87.2Confident77.6Confident71 Ų7157 Ų5744%0.43633%0.329SS..Hα-helixtrans-62.7-40.3-174.960.20000112.2D459 F463 Q464 N465D459-T461 VanDerWaalsContact CG-OG1 3.28Å; D459-T461 VanDerWaalsContact OD1-CB 3.26Å; D459-T461 WeakPolarHBondContact OD1-CB 3.45Å; D459-T461 WeakPolarHBondContact OD1-CG2 3.25Å; D459-T461 PolarHBondContact OD1-N 3.06Å; D459-T461 PolarHBondContact OD1-OG1 2.93Å; D459-T461 PolarHBondContact OD2-OG1 3.38Å; T461-F463 VanDerWaalsContact C-N 3.34Å; T461-F463 PolarHBondContact O-N 2.92Å; T461-Q464 PolarHBondContact O-N 3.43Å; T461-N465 WeakPolarHBondContact O-CB 3.3Å; T461-N465 VanDerWaalsContact O-CG 3.28Å; T461-N465 PolarHBondContact O-N 3.15Å; T461-N465 PolarHBondContact O-ND2 3.09Å; T461-N465 VanDerWaalsContact O-ND2 3.07Å
462A86Confident79.3Confident16 Ų1655.4 Ų55.413%0.13232%0.318CS..Hα-helixtrans-63-40.1176.500000112.1C445 W460 S466C445-A462 HydrophobicContact CB-CB 4.3Å; W460-A462 VanDerWaalsContact C-N 3.34Å; W460-A462 PolarHBondContact O-N 3.27Å; A462-S466 WeakPolarHBondContact O-CB 3.35Å; A462-S466 PolarHBondContact O-N 3.29Å; A462-S466 PolarHBondContact O-OG 3.26Å
463F89.2Confident81.2Confident3 Ų350.9 Ų50.91%0.01329%0.287CS..Hα-helixtrans-66.1-49.1175.4-180-113000111.1W460 T461 N465 S466 V467 A580 S583 V584 H638 L639 F642 W679W460-F463 HydrophobicContact CE3-CB 4.12Å; W460-F463 AromaticContact CE3-CD1 3.91Å; W460-F463 HydrophobicContact CE3-CD1 3.91Å; W460-F463 HydrophobicContact CE3-CG 4.22Å; W460-F463 HydrophobicContact CZ3-CD1 4.22Å; W460-F463 PolarHBondContact O-N 3.33Å; T461-F463 VanDerWaalsContact C-N 3.34Å; T461-F463 PolarHBondContact O-N 2.92Å; F463-N465 VanDerWaalsContact C-N 3.33Å; F463-N465 PolarHBondContact O-N 2.95Å; F463-S466 CarbonylContact O-C 3.58Å; F463-S466 WeakPolarHBondContact O-CA 3.41Å; F463-S466 WeakPolarHBondContact O-CB 3.32Å; F463-S466 PolarHBondContact O-N 3.24Å; F463-V467 HydrophobicContact CD1-CG2 4.36Å; F463-V467 HydrophobicContact CE1-CG2 4Å; F463-V467 HydrophobicContact CE2-CG2 4.21Å; F463-V467 HydrophobicContact CZ-CG2 3.91Å; F463-V467 WeakPolarHBondContact O-CG2 3.49Å; F463-V467 PolarHBondContact O-N 3.25Å; F463-A580 HydrophobicContact CD2-CB 4.24Å; F463-A580 HydrophobicContact CE2-CB 4.21Å; F463-S583 WeakPolarHBondContact CA-OG 3.37Å; F463-V584 HydrophobicContact CB-CG2 4.09Å; F463-V584 HydrophobicContact CD1-CG2 4.49Å; F463-V584 HydrophobicContact CD2-CG2 3.27Å; F463-V584 HydrophobicContact CE2-CG2 3.75Å; F463-V584 HydrophobicContact CG-CG2 3.7Å; F463-H638 HydrophobicContact CD1-CB 4.41Å; F463-H638 HydrophobicContact CE1-CB 4.23Å; F463-L639 HydrophobicContact CE1-CD2 4.28Å; F463-L639 HydrophobicContact CZ-CD2 3.71Å; F463-F642 HydrophobicContact CZ-CE2 4.32Å; F463-F642 HydrophobicContact CZ-CZ 4.05Å; F463-W679 HydrophobicContact CE2-CZ3 4.35Å
464Q88.9Confident83.2Confident90 Ų9045.8 Ų45.842%0.42125%0.245SC..Hα-helixtrans-59.4-40.2178.2-70.4174.2-1.300112.8W460 T461 V467 R468W460-Q464 WeakPolarHBondContact O-CG 3.12Å; W460-Q464 PolarHBondContact O-N 2.95Å; T461-Q464 PolarHBondContact O-N 3.43Å; Q464-V467 PolarHBondContact O-N 3.43Å; Q464-R468 WeakPolarHBondContact O-CG 3.38Å; Q464-R468 PolarHBondContact O-N 3.43Å
465N89.4Confident85.1Confident22 Ų2244.3 Ų44.312%0.11823%0.225CC..Hα-helixtrans-65.5-40.8174.1-74.2-35.7000111.6V382 V386 T461 F463 V467 R468 I469V382-N465 HydrophobicContact CG1-CB 4Å; V386-N465 HydrophobicContact CG2-CB 4.05Å; T461-N465 WeakPolarHBondContact O-CB 3.3Å; T461-N465 VanDerWaalsContact O-CG 3.28Å; T461-N465 PolarHBondContact O-N 3.15Å; T461-N465 PolarHBondContact O-ND2 3.09Å; T461-N465 VanDerWaalsContact O-ND2 3.07Å; F463-N465 VanDerWaalsContact C-N 3.33Å; F463-N465 PolarHBondContact O-N 2.95Å; N465-V467 VanDerWaalsContact C-N 3.35Å; N465-V467 PolarHBondContact O-N 3.09Å; N465-R468 PolarHBondContact O-N 3.27Å; N465-I469 WeakPolarHBondContact O-CG1 3.42Å; N465-I469 PolarHBondContact O-N 3.17Å; N465-I469 VanDerWaalsContact O-N 3.1Å
466S90.1Very high86.7Confident1 Ų138.8 Ų38.81%0.00719%0.191CC..Hα-helixtrans-65.6-37.4176.9-55.20000112.1A462 F463 R468 I469 I470A462-S466 WeakPolarHBondContact O-CB 3.35Å; A462-S466 PolarHBondContact O-N 3.29Å; A462-S466 PolarHBondContact O-OG 3.26Å; F463-S466 CarbonylContact O-C 3.58Å; F463-S466 WeakPolarHBondContact O-CA 3.41Å; F463-S466 WeakPolarHBondContact O-CB 3.32Å; F463-S466 PolarHBondContact O-N 3.24Å; S466-R468 PolarHBondContact O-N 3.14Å; S466-I469 PolarHBondContact O-N 3.09Å; S466-I469 VanDerWaalsContact O-N 3.16Å; S466-I470 WeakPolarHBondContact O-CG1 3.37Å; S466-I470 PolarHBondContact O-N 3.38Å
467V88.6Confident87.8Confident22 Ų2237.9 Ų37.913%0.13319%0.188CC..Hα-helixtrans-57.9-46.6171.81660000111.7F463 Q464 N465 I469 I470 A471 F642F463-V467 HydrophobicContact CD1-CG2 4.36Å; F463-V467 HydrophobicContact CE1-CG2 4Å; F463-V467 HydrophobicContact CE2-CG2 4.21Å; F463-V467 HydrophobicContact CZ-CG2 3.91Å; F463-V467 WeakPolarHBondContact O-CG2 3.49Å; F463-V467 PolarHBondContact O-N 3.25Å; Q464-V467 PolarHBondContact O-N 3.43Å; N465-V467 VanDerWaalsContact C-N 3.35Å; N465-V467 PolarHBondContact O-N 3.09Å; V467-I469 VanDerWaalsContact C-N 3.26Å; V467-I469 PolarHBondContact O-N 2.91Å; V467-I470 WeakPolarHBondContact O-CB 3.42Å; V467-I470 PolarHBondContact O-N 3.38Å; V467-I470 VanDerWaalsContact O-N 3.12Å; V467-A471 PolarHBondContact O-N 3.45Å; V467-F642 HydrophobicContact CB-CE1 4.21Å; V467-F642 HydrophobicContact CG1-CE1 3.63Å; V467-F642 HydrophobicContact CG1-CZ 4.45Å; V467-F642 HydrophobicContact CG2-CE1 3.58Å; V467-F642 HydrophobicContact CG2-CZ 3.57Å
468R89.7Confident89Confident129 Ų12937.1 Ų37.149%0.48718%0.18SC..Hα-helixtrans-61.2-37176.4-68.4176.2-175.1-167.63.2111.8I383 V386 Q464 N465 S466 A471 T472I383-R468 VanDerWaalsContact CD1-NH1 3.32Å; V386-R468 HydrophobicContact CG1-CB 3.55Å; V386-R468 HydrophobicContact CG1-CG 4.48Å; Q464-R468 WeakPolarHBondContact O-CG 3.38Å; Q464-R468 PolarHBondContact O-N 3.43Å; N465-R468 PolarHBondContact O-N 3.27Å; S466-R468 PolarHBondContact O-N 3.14Å; R468-A471 PolarHBondContact O-N 3.45Å; R468-T472 PolarHBondContact O-N 3.4Å; R468-T472 PolarHBondContact O-OG1 3.11Å; R468-T472 VanDerWaalsContact O-OG1 3.09Å
469I92.7Very high90.2Very high0 Ų034.2 Ų34.20%017%0.166CC..Hα-helixtrans-68.1-37.5175.3-60.8163.5000111.5V386 L389 F434 L438 V441 N465 S466 V467 T472 C473 A576 L579V386-I469 HydrophobicContact CG1-CG1 4.33Å; V386-I469 HydrophobicContact CG2-CD1 3.93Å; V386-I469 HydrophobicContact CG2-CG1 3.87Å; L389-I469 HydrophobicContact CD1-CG1 4.31Å; L389-I469 HydrophobicContact CD1-CG2 4.47Å; F434-I469 HydrophobicContact CE1-CG2 3.92Å; F434-I469 HydrophobicContact CZ-CG2 4.03Å; L438-I469 HydrophobicContact CD2-CD1 4.26Å; L438-I469 HydrophobicContact CD2-CG2 3.69Å; V441-I469 HydrophobicContact CG1-CD1 4.3Å; N465-I469 WeakPolarHBondContact O-CG1 3.42Å; N465-I469 PolarHBondContact O-N 3.17Å; N465-I469 VanDerWaalsContact O-N 3.1Å; S466-I469 PolarHBondContact O-N 3.09Å; S466-I469 VanDerWaalsContact O-N 3.16Å; V467-I469 VanDerWaalsContact C-N 3.26Å; V467-I469 PolarHBondContact O-N 2.91Å; I469-T472 WeakPolarHBondContact O-CB 3.38Å; I469-T472 PolarHBondContact O-N 2.9Å; I469-C473 PolarHBondContact O-N 3.45Å; I469-C473 PolarHBondContact O-SG 3.04Å; I469-A576 HydrophobicContact CG2-CB 4.03Å; I469-L579 HydrophobicContact CD1-CD2 4.22Å
470I91.5Very high91Very high0 Ų030.1 Ų30.10%014%0.144CC..Hα-helixtrans-62.4-44.1173.5-66.4165.7000110.2S466 V467 T472 C473 G474 A576 A580 L650 A653 L654 W679S466-I470 WeakPolarHBondContact O-CG1 3.37Å; S466-I470 PolarHBondContact O-N 3.38Å; V467-I470 WeakPolarHBondContact O-CB 3.42Å; V467-I470 PolarHBondContact O-N 3.38Å; V467-I470 VanDerWaalsContact O-N 3.12Å; I470-T472 VanDerWaalsContact C-N 3.33Å; I470-T472 PolarHBondContact O-N 2.86Å; I470-C473 WeakPolarHBondContact O-CB 3.5Å; I470-C473 PolarHBondContact O-N 3.02Å; I470-C473 VanDerWaalsContact O-N 3.1Å; I470-G474 PolarHBondContact O-N 3.49Å; I470-A576 HydrophobicContact CG1-CB 3.92Å; I470-A580 HydrophobicContact CD1-CB 3.73Å; I470-L650 HydrophobicContact CB-CD1 4.45Å; I470-L650 HydrophobicContact CG2-CD1 3.91Å; I470-A653 HydrophobicContact CG2-CB 3.66Å; I470-A653 WeakPolarHBondContact O-CB 3.5Å; I470-L654 HydrophobicContact CG2-CD2 4.32Å; I470-W679 HydrophobicContact CD1-CZ2 4.14Å
471A90.3Very high91.2Very high20 Ų2030.8 Ų30.817%0.16516%0.157CC..Hα-helixtrans-58.3-44.217400000111.7V467 R468 C473 G474 E475 L650V467-A471 PolarHBondContact O-N 3.45Å; R468-A471 PolarHBondContact O-N 3.45Å; A471-C473 VanDerWaalsContact C-N 3.33Å; A471-C473 PolarHBondContact O-N 2.91Å; A471-G474 WeakPolarHBondContact O-CA 3.36Å; A471-G474 PolarHBondContact O-N 2.84Å; A471-G474 VanDerWaalsContact O-N 3.09Å; A471-E475 PolarHBondContact O-N 2.92Å; A471-L650 HydrophobicContact CB-CB 4.39Å; A471-L650 HydrophobicContact CB-CD1 4.19Å
472T93.3Very high91.5Very high9 Ų929.5 Ų29.56%0.05515%0.154CC..Hα-helixtrans-59.4-40.3173.2-58.40000112.5V393 F434 R468 I469 I470 G474 E475 L476V393-T472 HydrophobicContact CG2-CG2 3.61Å; F434-T472 HydrophobicContact CE2-CG2 4.15Å; F434-T472 HydrophobicContact CZ-CG2 4.27Å; R468-T472 PolarHBondContact O-N 3.4Å; R468-T472 PolarHBondContact O-OG1 3.11Å; R468-T472 VanDerWaalsContact O-OG1 3.09Å; I469-T472 WeakPolarHBondContact O-CB 3.38Å; I469-T472 PolarHBondContact O-N 2.9Å; I470-T472 VanDerWaalsContact C-N 3.33Å; I470-T472 PolarHBondContact O-N 2.86Å; T472-G474 VanDerWaalsContact C-N 3.32Å; T472-E475 PolarHBondContact O-N 3.38Å; T472-L476 WeakPolarHBondContact O-CG 3.4Å; T472-L476 PolarHBondContact O-N 3.18Å
473C94.4Very high91.8Very high2 Ų229.4 Ų29.41%0.01415%0.15CC..Hα-helixtrans-65-36.6174.4-66.70000112.2I469 I470 A471 L476 L477 N573I469-C473 PolarHBondContact O-N 3.45Å; I469-C473 PolarHBondContact O-SG 3.04Å; I470-C473 WeakPolarHBondContact O-CB 3.5Å; I470-C473 PolarHBondContact O-N 3.02Å; I470-C473 VanDerWaalsContact O-N 3.1Å; A471-C473 VanDerWaalsContact C-N 3.33Å; A471-C473 PolarHBondContact O-N 2.91Å; C473-L476 WeakPolarHBondContact O-CB 3.26Å; C473-L476 PolarHBondContact O-N 2.87Å; C473-L477 WeakPolarHBondContact O-CG 3.41Å; C473-L477 PolarHBondContact O-N 3.34Å; C473-N573 HydrophobicContact CB-CB 3.89Å
474G91.9Very high92Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-59.4-47.3170.900000113I470 A471 T472 L476 L477 R478 A649I470-G474 PolarHBondContact O-N 3.49Å; A471-G474 WeakPolarHBondContact O-CA 3.36Å; A471-G474 PolarHBondContact O-N 2.84Å; A471-G474 VanDerWaalsContact O-N 3.09Å; T472-G474 VanDerWaalsContact C-N 3.32Å; G474-L476 VanDerWaalsContact C-N 3.32Å; G474-L476 PolarHBondContact O-N 3.45Å; G474-L477 PolarHBondContact O-N 2.97Å; G474-R478 WeakPolarHBondContact O-CB 3.44Å; G474-R478 PolarHBondContact O-N 2.99Å; G474-A649 WeakPolarHBondContact CA-O 3.49Å
475E92.8Very high92.1Very high45 Ų4529.1 Ų29.121%0.2115%0.151CC..Hα-helixtrans-65.1-38.3178.8-176.459.2-169.500111.1V393 A471 T472 R478 Q479 A649V393-E475 HydrophobicContact CG1-CG 4.21Å; A471-E475 PolarHBondContact O-N 2.92Å; T472-E475 PolarHBondContact O-N 3.38Å; E475-R478 VanDerWaalsContact CD-NH2 3.29Å; E475-R478 PolarHBondContact O-N 3.42Å; E475-R478 IonicContact OE1-CZ 2.82Å; E475-R478 IonicContact OE1-NE 2.93Å; E475-R478 IonicContact OE1-NH2 3.75Å; E475-R478 PolarHBondContact OE1-NH2 3.15Å; E475-R478 IonicContact OE2-CZ 2.68Å; E475-R478 IonicContact OE2-NE 2.87Å; E475-R478 PolarHBondContact OE2-NE 2.93Å; E475-R478 IonicContact OE2-NH2 2.76Å; E475-R478 PolarHBondContact OE2-NH2 3.17Å; E475-Q479 HydrophobicContact CG-CG 4.31Å; E475-Q479 WeakPolarHBondContact O-CB 3.48Å; E475-Q479 WeakPolarHBondContact O-CG 3.45Å; E475-Q479 PolarHBondContact O-N 3.07Å; E475-Q479 VanDerWaalsContact OE1-CG 3.31Å; E475-Q479 WeakPolarHBondContact OE1-CG 3.49Å; E475-Q479 PolarHBondContact OE1-NE2 3.23Å; E475-A649 HydrophobicContact CB-CB 4.14Å
476L95.2Very high92.2Very high1 Ų134.1 Ų34.11%0.00517%0.174CC..Hα-helixtrans-58.4-46.8171.1-79.5165.8000112.4V393 L396 F397 Y430 F434 T472 C473 G474 C480 L569 L572V393-L476 HydrophobicContact CB-CD2 4.28Å; V393-L476 HydrophobicContact CG1-CD2 3.87Å; V393-L476 HydrophobicContact CG1-CG 4.17Å; V393-L476 HydrophobicContact CG2-CD1 4.35Å; V393-L476 HydrophobicContact CG2-CD2 3.86Å; V393-L476 HydrophobicContact CG2-CG 3.74Å; L396-L476 HydrophobicContact CD2-CD2 3.92Å; F397-L476 HydrophobicContact CE2-CD2 4.12Å; Y430-L476 HydrophobicContact CE1-CD1 3.91Å; Y430-L476 HydrophobicContact CE1-CD2 3.62Å; Y430-L476 HydrophobicContact CE1-CG 4.46Å; F434-L476 HydrophobicContact CD2-CD1 4.23Å; F434-L476 HydrophobicContact CE2-CD1 3.77Å; F434-L476 HydrophobicContact CZ-CD1 4.44Å; T472-L476 WeakPolarHBondContact O-CG 3.4Å; T472-L476 PolarHBondContact O-N 3.18Å; C473-L476 WeakPolarHBondContact O-CB 3.26Å; C473-L476 PolarHBondContact O-N 2.87Å; G474-L476 VanDerWaalsContact C-N 3.32Å; G474-L476 PolarHBondContact O-N 3.45Å; L476-C480 WeakPolarHBondContact O-CB 3.35Å; L476-C480 PolarHBondContact O-N 3.47Å; L476-L569 HydrophobicContact CB-CD2 4.26Å; L476-L569 HydrophobicContact CD1-CD2 4.29Å; L476-L569 HydrophobicContact CD2-CD2 4.38Å; L476-L572 HydrophobicContact CD1-CD2 4.31Å
477L92.9Very high92.3Very high20 Ų2034.2 Ų34.211%0.10517%0.174CC..Hα-helixtrans-64.7-43.2178.8-72.3171.1000111.6C473 G474 C480 G481 L569 N573 L652 A656C473-L477 WeakPolarHBondContact O-CG 3.41Å; C473-L477 PolarHBondContact O-N 3.34Å; G474-L477 PolarHBondContact O-N 2.97Å; L477-C480 PolarHBondContact O-N 3.32Å; L477-G481 PolarHBondContact O-N 3.39Å; L477-G481 VanDerWaalsContact O-N 3.14Å; L477-L569 HydrophobicContact CD2-CB 3.82Å; L477-N573 HydrophobicContact CD1-CB 4.33Å; L477-L652 HydrophobicContact CB-CD2 3.95Å; L477-A656 HydrophobicContact CD1-CB 3.94Å
478R92.3Very high92.4Very high114 Ų11433.1 Ų33.143%0.4317%0.167SC..Hα-helixtrans-64.9-50.7179.3-166.6-17371.482.21.4111.6G474 E475 C480 G481 A482 L652G474-R478 WeakPolarHBondContact O-CB 3.44Å; G474-R478 PolarHBondContact O-N 2.99Å; E475-R478 VanDerWaalsContact CD-NH2 3.29Å; E475-R478 PolarHBondContact O-N 3.42Å; E475-R478 IonicContact OE1-CZ 2.82Å; E475-R478 IonicContact OE1-NE 2.93Å; E475-R478 IonicContact OE1-NH2 3.75Å; E475-R478 PolarHBondContact OE1-NH2 3.15Å; E475-R478 IonicContact OE2-CZ 2.68Å; E475-R478 IonicContact OE2-NE 2.87Å; E475-R478 PolarHBondContact OE2-NE 2.93Å; E475-R478 IonicContact OE2-NH2 2.76Å; E475-R478 PolarHBondContact OE2-NH2 3.17Å; R478-C480 VanDerWaalsContact C-N 3.32Å; R478-C480 PolarHBondContact O-N 3.05Å; R478-G481 PolarHBondContact O-N 3.22Å; R478-A482 PolarHBondContact O-N 2.92Å; R478-L652 HydrophobicContact CB-CD2 3.84Å; R478-L652 HydrophobicContact CG-CD2 4.46Å
479Q94.3Very high92.5Very high48 Ų4830.6 Ų30.622%0.22416%0.164CC..Hα-helixtrans-65-34.8177.3-71.3-165.221.200111.9F397 E475 A482 Y483F397-Q479 HydrophobicContact CD1-CB 4.49Å; F397-Q479 HydrophobicContact CD2-CB 3.7Å; F397-Q479 HydrophobicContact CD2-CG 4.43Å; F397-Q479 HydrophobicContact CE1-CB 4.24Å; F397-Q479 HydrophobicContact CE2-CB 3.37Å; F397-Q479 HydrophobicContact CE2-CG 4.41Å; F397-Q479 HydrophobicContact CG-CB 4.25Å; F397-Q479 HydrophobicContact CZ-CB 3.68Å; E475-Q479 HydrophobicContact CG-CG 4.31Å; E475-Q479 WeakPolarHBondContact O-CB 3.48Å; E475-Q479 WeakPolarHBondContact O-CG 3.45Å; E475-Q479 PolarHBondContact O-N 3.07Å; E475-Q479 VanDerWaalsContact OE1-CG 3.31Å; E475-Q479 WeakPolarHBondContact OE1-CG 3.49Å; E475-Q479 PolarHBondContact OE1-NE2 3.23Å; Q479-A482 PolarHBondContact O-N 3.24Å; Q479-Y483 WeakPolarHBondContact O-CB 3.35Å; Q479-Y483 PolarHBondContact O-N 3.06Å
480C93.9Very high92.4Very high1 Ų134.1 Ų34.11%0.00718%0.179CC..Hα-helixtrans-61.2-45.8175.6-1720000111.8F397 L476 L477 R478 Y483 E484 L569F397-C480 HydrophobicContact CE1-CB 4.31Å; F397-C480 HydrophobicContact CZ-CB 3.93Å; F397-C480 VanDerWaalsContact CZ-N 3.29Å; L476-C480 WeakPolarHBondContact O-CB 3.35Å; L476-C480 PolarHBondContact O-N 3.47Å; L477-C480 PolarHBondContact O-N 3.32Å; R478-C480 VanDerWaalsContact C-N 3.32Å; R478-C480 PolarHBondContact O-N 3.05Å; C480-Y483 PolarHBondContact O-N 3.07Å; C480-E484 WeakPolarHBondContact O-CB 3.32Å; C480-E484 PolarHBondContact O-N 3.04Å; C480-L569 HydrophobicContact CB-CD1 3.81Å
481G90.9Very high92.3Very high33 Ų3334.4 Ų34.434%0.3418%0.18SC..Hα-helixtrans-63.6-43.7175.400000113L477 R478 E484 L485L477-G481 PolarHBondContact O-N 3.39Å; L477-G481 VanDerWaalsContact O-N 3.14Å; R478-G481 PolarHBondContact O-N 3.22Å; G481-E484 PolarHBondContact O-N 2.98Å; G481-L485 PolarHBondContact O-N 3.36Å
482A92.3Very high92.1Very high44 Ų4435.5 Ų35.536%0.36418%0.183SC..Hα-helixtrans-63.7-42.1176.500000112.1R478 Q479 L485 Q486R478-A482 PolarHBondContact O-N 2.92Å; Q479-A482 PolarHBondContact O-N 3.24Å; A482-L485 PolarHBondContact O-N 2.9Å; A482-Q486 WeakPolarHBondContact O-CG 3.19Å; A482-Q486 PolarHBondContact O-N 2.91Å
483Y94Very high91.9Very high13 Ų1338.9 Ų38.95%0.05121%0.212CC..Hα-helixtrans-66-41.7178.2177.4-105.9000111.9F397 A400 V404 L423 F427 Q479 C480 L485 Q486 L487 L562F397-Y483 HydrophobicContact CD1-CD1 4.3Å; F397-Y483 HydrophobicContact CD1-CD2 4.32Å; F397-Y483 AromaticContact CD1-CG 3.87Å; F397-Y483 HydrophobicContact CD1-CG 3.87Å; F397-Y483 HydrophobicContact CE1-CD1 4.29Å; F397-Y483 HydrophobicContact CE1-CG 4.13Å; A400-Y483 VanDerWaalsContact C-OH 3.3Å; A400-Y483 HydrophobicContact CB-CE1 3.99Å; A400-Y483 HydrophobicContact CB-CE2 4Å; A400-Y483 PolarHBondContact O-OH 3.12Å; V404-Y483 WeakPolarHBondContact CG2-OH 3.45Å; L423-Y483 HydrophobicContact CD1-CE1 4.38Å; F427-Y483 HydrophobicContact CE2-CE1 4.48Å; F427-Y483 HydrophobicContact CZ-CD1 4.45Å; Q479-Y483 WeakPolarHBondContact O-CB 3.35Å; Q479-Y483 PolarHBondContact O-N 3.06Å; C480-Y483 PolarHBondContact O-N 3.07Å; Y483-L485 VanDerWaalsContact C-N 3.31Å; Y483-L485 PolarHBondContact O-N 3.41Å; Y483-Q486 PolarHBondContact O-N 3.36Å; Y483-L487 HydrophobicContact CE1-CD2 4.2Å; Y483-L487 VanDerWaalsContact O-CB 3.22Å; Y483-L487 WeakPolarHBondContact O-CB 3.41Å; Y483-L487 PolarHBondContact O-N 3.45Å; Y483-L562 HydrophobicContact CD1-CD1 3.59Å; Y483-L562 HydrophobicContact CE1-CD1 3.8Å
484E92.6Very high91.5Very high11 Ų1140.1 Ų40.15%0.05122%0.22CC..Hα-helixtrans-59.5-42.3176.2-176.5163.8-149.600111.8C480 G481 L487 S488 S559 S560 L561 L562C480-E484 WeakPolarHBondContact O-CB 3.32Å; C480-E484 PolarHBondContact O-N 3.04Å; G481-E484 PolarHBondContact O-N 2.98Å; E484-L487 PolarHBondContact O-N 3.4Å; E484-S488 WeakPolarHBondContact O-CB 3.28Å; E484-S488 PolarHBondContact O-N 3.08Å; E484-S488 PolarHBondContact O-OG 3.47Å; E484-S559 VanDerWaalsContact CD-O 3.32Å; E484-S560 VanDerWaalsContact OE1-C 3.3Å; E484-S560 WeakPolarHBondContact OE1-CA 3.48Å; E484-L561 PolarHBondContact OE1-N 2.86Å; E484-L562 HydrophobicContact CB-CD1 4.25Å; E484-L562 PolarHBondContact OE1-N 3.01Å
485L91.1Very high91.2Very high76 Ų7640.2 Ų40.240%0.39822%0.22SC..Hα-helixtrans-63.4-45.8174.5-178.864.8000111.9G481 A482 Y483 L487 S488 N489 T556G481-L485 PolarHBondContact O-N 3.36Å; A482-L485 PolarHBondContact O-N 2.9Å; Y483-L485 VanDerWaalsContact C-N 3.31Å; Y483-L485 PolarHBondContact O-N 3.41Å; L485-L487 VanDerWaalsContact C-N 3.35Å; L485-S488 PolarHBondContact O-N 2.99Å; L485-N489 VanDerWaalsContact O-CG 3.29Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 3.39Å; L485-T556 WeakPolarHBondContact CD1-O 3.5Å
486Q92.1Very high90.6Very high128 Ų12839 Ų3960%0.59822%0.22SC*.Hα-helixtrans-62-42.5177.1-72.9176.55.700111.9A482 Y483 N489 K490A482-Q486 WeakPolarHBondContact O-CG 3.19Å; A482-Q486 PolarHBondContact O-N 2.91Å; Y483-Q486 PolarHBondContact O-N 3.36Å; Q486-N489 PolarHBondContact O-N 3.06Å; Q486-K490 VanDerWaalsContact O-CB 3.31Å; Q486-K490 WeakPolarHBondContact O-CB 3.46Å; Q486-K490 PolarHBondContact O-N 2.9Å
487L92Very high90Very high2 Ų244.7 Ų44.71%0.0125%0.245CC..Hα-helixtrans-60.4-50.8177.2177.861.6000110.5V404 L420 L423 Y483 E484 L485 N489 K490 I491 L561 L562V404-L487 HydrophobicContact CG1-CD1 4.32Å; V404-L487 HydrophobicContact CG2-CD1 3.6Å; L420-L487 HydrophobicContact CD2-CD2 4.01Å; L423-L487 HydrophobicContact CD1-CD1 4.48Å; L423-L487 HydrophobicContact CD1-CD2 3.99Å; Y483-L487 HydrophobicContact CE1-CD2 4.2Å; Y483-L487 VanDerWaalsContact O-CB 3.22Å; Y483-L487 WeakPolarHBondContact O-CB 3.41Å; Y483-L487 PolarHBondContact O-N 3.45Å; E484-L487 PolarHBondContact O-N 3.4Å; L485-L487 VanDerWaalsContact C-N 3.35Å; L487-N489 PolarHBondContact O-N 3.29Å; L487-K490 PolarHBondContact O-N 2.91Å; L487-I491 HydrophobicContact CD1-CD1 3.77Å; L487-I491 HydrophobicContact CD1-CG1 4.17Å; L487-I491 HydrophobicContact CG-CD1 3.66Å; L487-I491 HydrophobicContact CG-CG1 4.48Å; L487-I491 WeakPolarHBondContact O-CB 3.28Å; L487-I491 WeakPolarHBondContact O-CD1 3.45Å; L487-I491 WeakPolarHBondContact O-CG1 3.39Å; L487-I491 PolarHBondContact O-N 3.43Å; L487-L561 HydrophobicContact CD2-CD1 4.29Å; L487-L561 HydrophobicContact CG-CD1 4.31Å; L487-L562 HydrophobicContact CD2-CD1 4.39Å; L487-L562 HydrophobicContact CD2-CG 4.48Å
488S91.3Very high89.4Confident0 Ų046 Ų460%025%0.249CC..Hα-helixtrans-57.9-44.3177.1-71.70000112.8E484 L485 L492 S559 L561E484-S488 WeakPolarHBondContact O-CB 3.28Å; E484-S488 PolarHBondContact O-N 3.08Å; E484-S488 PolarHBondContact O-OG 3.47Å; L485-S488 PolarHBondContact O-N 2.99Å; S488-L492 WeakPolarHBondContact O-CG 3.14Å; S488-L492 PolarHBondContact O-N 3.3Å; S488-L492 VanDerWaalsContact O-N 3.09Å; S488-S559 WeakPolarHBondContact OG-CB 3.44Å; S488-S559 PolarHBondContact OG-OG 3.09Å; S488-L561 VanDerWaalsContact OG-CD1 3.29Å; S488-L561 WeakPolarHBondContact OG-CD1 3.29Å
489N90.3Very high88.7Confident76 Ų7641.6 Ų41.641%0.40623%0.233SC..Hα-helixtrans-63.4-45176.7-72.1-26.5000111.6L485 Q486 L487 L492 A493 T556L485-N489 VanDerWaalsContact O-CG 3.29Å; L485-N489 PolarHBondContact O-N 2.92Å; L485-N489 PolarHBondContact O-ND2 3.39Å; Q486-N489 PolarHBondContact O-N 3.06Å; L487-N489 PolarHBondContact O-N 3.29Å; N489-L492 PolarHBondContact O-N 3.44Å; N489-A493 WeakPolarHBondContact O-CB 2.99Å; N489-A493 PolarHBondContact O-N 3.46Å; N489-T556 WeakPolarHBondContact OD1-CB 3.29Å; N489-T556 WeakPolarHBondContact OD1-CG2 3.28Å; N489-T556 PolarHBondContact OD1-OG1 3.04Å; N489-T556 VanDerWaalsContact OD1-OG1 3.05Å
490K90.6Very high87.4Confident73 Ų7342.2 Ų42.232%0.31724%0.243SC..Hα-helixtrans-67.4-38.7-178.6-167.5159.6179.1178.80112V404 D405 Q486 L487 A493 T494V404-K490 HydrophobicContact CG1-CD 3.65Å; V404-K490 HydrophobicContact CG1-CG 3.99Å; D405-K490 WeakPolarHBondContact OD1-CE 3.41Å; D405-K490 IonicContact OD1-NZ 3.61Å; D405-K490 PolarHBondContact OD1-NZ 3.13Å; D405-K490 IonicContact OD2-NZ 2.69Å; Q486-K490 VanDerWaalsContact O-CB 3.31Å; Q486-K490 WeakPolarHBondContact O-CB 3.46Å; Q486-K490 PolarHBondContact O-N 2.9Å; L487-K490 PolarHBondContact O-N 2.91Å; K490-A493 PolarHBondContact O-N 3.03Å; K490-T494 PolarHBondContact O-N 2.71Å; K490-T494 VanDerWaalsContact O-N 3.09Å; K490-T494 PolarHBondContact O-OG1 3.14Å
491I88.9Confident85.4Confident6 Ų651.6 Ų51.63%0.03129%0.287CS..Hα-helixtrans-59.1-50172.8-74.3163000111.3L416 L487 A493 T494 A495 G496 L548 L551 L561L416-I491 HydrophobicContact CD1-CD1 3.39Å; L416-I491 HydrophobicContact CD1-CG1 3.58Å; L416-I491 HydrophobicContact CD2-CB 4.2Å; L416-I491 HydrophobicContact CD2-CD1 3.78Å; L416-I491 HydrophobicContact CD2-CG1 3.8Å; L416-I491 HydrophobicContact CD2-CG2 3.36Å; L416-I491 HydrophobicContact CG-CD1 4.19Å; L416-I491 HydrophobicContact CG-CG1 4.32Å; L487-I491 HydrophobicContact CD1-CD1 3.77Å; L487-I491 HydrophobicContact CD1-CG1 4.17Å; L487-I491 HydrophobicContact CG-CD1 3.66Å; L487-I491 HydrophobicContact CG-CG1 4.48Å; L487-I491 WeakPolarHBondContact O-CB 3.28Å; L487-I491 WeakPolarHBondContact O-CD1 3.45Å; L487-I491 WeakPolarHBondContact O-CG1 3.39Å; L487-I491 PolarHBondContact O-N 3.43Å; I491-A493 VanDerWaalsContact C-N 3.32Å; I491-A493 PolarHBondContact O-N 3.14Å; I491-T494 PolarHBondContact O-N 2.69Å; I491-T494 PolarHBondContact O-OG1 3.05Å; I491-A495 WeakPolarHBondContact O-CA 3.41Å; I491-A495 WeakPolarHBondContact O-CB 3.37Å; I491-A495 PolarHBondContact O-N 3.06Å; I491-G496 PolarHBondContact O-N 3.01Å; I491-L548 HydrophobicContact CG2-CD2 3.44Å; I491-L548 VanDerWaalsContact CG2-CD2 3.44Å; I491-L551 HydrophobicContact CG2-CD1 3.81Å; I491-L561 HydrophobicContact CD1-CD1 3.74Å
492L87.8Confident83.3Confident43 Ų4355 Ų5523%0.22531%0.305CS..Hα-helixtrans-67.3-35.4-179.2-73.7175.3000111.7S488 N489 T494 G496 L551 K552 T556S488-L492 WeakPolarHBondContact O-CG 3.14Å; S488-L492 PolarHBondContact O-N 3.3Å; S488-L492 VanDerWaalsContact O-N 3.09Å; N489-L492 PolarHBondContact O-N 3.44Å; L492-T494 PolarHBondContact O-N 2.62Å; L492-G496 WeakPolarHBondContact O-CA 3.33Å; L492-G496 PolarHBondContact O-N 3.39Å; L492-G496 VanDerWaalsContact O-N 3.08Å; L492-L551 HydrophobicContact CD1-CB 4.5Å; L492-L551 HydrophobicContact CD2-CB 4.15Å; L492-L551 HydrophobicContact CG-CB 4.45Å; L492-K552 HydrophobicContact CD2-CB 4.45Å; L492-T556 HydrophobicContact CD1-CG2 3.5Å; L492-T556 VanDerWaalsContact CD1-CG2 3.5Å
493A88.4Confident81.7Confident81 Ų8155.9 Ų55.967%0.66930%0.3SS*.Hα-helixtrans-65.2-36.9176.600000113N489 K490 I491N489-A493 WeakPolarHBondContact O-CB 2.99Å; N489-A493 PolarHBondContact O-N 3.46Å; K490-A493 PolarHBondContact O-N 3.03Å; I491-A493 VanDerWaalsContact C-N 3.32Å; I491-A493 PolarHBondContact O-N 3.14Å
494T86.2Confident79.8Confident28 Ų2857.6 Ų57.617%0.17231%0.314CS..Hα-helixtrans-93.9-56.9-176.555.80000112.6V408 K490 I491 L492 K497V408-T494 HydrophobicContact CG1-CG2 4.08Å; V408-T494 HydrophobicContact CG2-CG2 3.91Å; K490-T494 PolarHBondContact O-N 2.71Å; K490-T494 VanDerWaalsContact O-N 3.09Å; K490-T494 PolarHBondContact O-OG1 3.14Å; I491-T494 PolarHBondContact O-N 2.69Å; I491-T494 PolarHBondContact O-OG1 3.05Å; L492-T494 PolarHBondContact O-N 2.62Å; T494-K497 WeakPolarHBondContact O-CD 3.41Å; T494-K497 VanDerWaalsContact O-CE 3.24Å; T494-K497 WeakPolarHBondContact O-CE 3.44Å; T494-K497 VanDerWaalsContact O-CG 3.25Å; T494-K497 WeakPolarHBondContact O-CG 3.36Å
495A84.4Confident77.9Confident1 Ų160.5 Ų60.51%0.00833%0.334CS..Hα-helixtrans-86.7-18.3-175.400000112.9I491 K497 Y498 L548I491-A495 WeakPolarHBondContact O-CA 3.41Å; I491-A495 WeakPolarHBondContact O-CB 3.37Å; I491-A495 PolarHBondContact O-N 3.06Å; A495-K497 PolarHBondContact O-N 3.4Å; A495-Y498 WeakPolarHBondContact O-CB 3.39Å; A495-Y498 WeakPolarHBondContact O-CD2 3.31Å; A495-Y498 PolarHBondContact O-N 2.98Å; A495-Y498 VanDerWaalsContact O-N 3.08Å; A495-L548 HydrophobicContact CB-CD1 3.97Å; A495-L548 HydrophobicContact CB-CD2 3.88Å
496G81.6Confident75.9Confident20 Ų2068 Ų6821%0.20636%0.356CS..G310 helixtrans-62.3-23.617800000113.8I491 L492 Y498 L499I491-G496 PolarHBondContact O-N 3.01Å; L492-G496 WeakPolarHBondContact O-CA 3.33Å; L492-G496 PolarHBondContact O-N 3.39Å; L492-G496 VanDerWaalsContact O-N 3.08Å; G496-Y498 PolarHBondContact O-N 3.17Å; G496-L499 WeakPolarHBondContact O-CB 3.28Å; G496-L499 PolarHBondContact O-N 3.32Å
497K82.6Confident73.7Confident121 Ų12165.8 Ų65.853%0.52636%0.355SS..G310 helixtrans-61.6-21.4173.973.8-166.8177.6-176.80113.7D412 T494 A495D412-K497 IonicContact OD1-NZ 2.79Å; D412-K497 PolarHBondContact OD1-NZ 3.2Å; D412-K497 WeakPolarHBondContact OD2-CE 3.47Å; D412-K497 IonicContact OD2-NZ 2.9Å; D412-K497 PolarHBondContact OD2-NZ 3.33Å; T494-K497 WeakPolarHBondContact O-CD 3.41Å; T494-K497 VanDerWaalsContact O-CE 3.24Å; T494-K497 WeakPolarHBondContact O-CE 3.44Å; T494-K497 VanDerWaalsContact O-CG 3.25Å; T494-K497 WeakPolarHBondContact O-CG 3.36Å; A495-K497 PolarHBondContact O-N 3.4Å
498Y78.9Confident71.3Confident48 Ų4873.7 Ų73.719%0.18840%0.397CS..G310 helixtrans-85.2-14.4177.3-60.6-71.4000113.2D412 L414 A495 G496 S500D412-Y498 PolarHBondContact OD2-OH 3.23Å; L414-Y498 HydrophobicContact CD2-CD1 4.5Å; L414-Y498 HydrophobicContact CD2-CD2 3.71Å; L414-Y498 HydrophobicContact CD2-CE1 4.48Å; L414-Y498 HydrophobicContact CD2-CE2 3.7Å; L414-Y498 HydrophobicContact CD2-CG 4.13Å; L414-Y498 HydrophobicContact CG-CD2 4.49Å; L414-Y498 HydrophobicContact CG-CE2 3.99Å; A495-Y498 WeakPolarHBondContact O-CB 3.39Å; A495-Y498 WeakPolarHBondContact O-CD2 3.31Å; A495-Y498 PolarHBondContact O-N 2.98Å; A495-Y498 VanDerWaalsContact O-N 3.08Å; G496-Y498 PolarHBondContact O-N 3.17Å; Y498-S500 PolarHBondContact O-N 3.43Å
499L78.3Confident68.8Low21 Ų2177.1 Ų77.111%0.1143%0.425CS..SBendtrans-75.5114.8171.9-75.7172.9000109.5G496 Y503 M545 L548 K552G496-L499 WeakPolarHBondContact O-CB 3.28Å; G496-L499 PolarHBondContact O-N 3.32Å; L499-Y503 HydrophobicContact CD2-CD1 3.96Å; L499-Y503 HydrophobicContact CD2-CE1 4.49Å; L499-Y503 HydrophobicContact CD2-CG 4.29Å; L499-M545 HydrophobicContact CD2-SD 4.07Å; L499-L548 HydrophobicContact CD1-CB 3.59Å; L499-L548 HydrophobicContact CD2-CB 3.95Å; L499-L548 HydrophobicContact CG-CB 3.81Å; L499-L548 HydrophobicContact CG-CD1 4.27Å; L499-K552 HydrophobicContact CD1-CD 4.34Å
500S67.4Low66.2Low61 Ų6177.5 Ų77.543%0.42745%0.447SS..  trans-64.4144167.361.70000110.4Y498 S502 Y503Y498-S500 PolarHBondContact O-N 3.43Å; S500-S502 PolarHBondContact O-N 3.19Å; S500-S502 PolarHBondContact OG-OG 2.98Å; S500-Y503 WeakPolarHBondContact O-CB 3.46Å; S500-Y503 PolarHBondContact O-N 3.38Å; S500-Y503 WeakPolarHBondContact OG-CB 3.48Å; S500-Y503 PolarHBondContact OG-N 3.14Å
501E52.5Low63.8Low197 Ų19781.6 Ų81.692%0.92147%0.471SS*.THydrogen-bonded Turntrans-54.6-24.3174.2-69.9-178.7163.800113.2
502S45.1Very low61.1Low104 Ų10489.5 Ų89.573%0.72751%0.507SS*.THydrogen-bonded Turntrans-94.65.2178.857.50000115.4S500 S504S500-S502 PolarHBondContact O-N 3.19Å; S500-S502 PolarHBondContact OG-OG 2.98Å; S502-S504 PolarHBondContact O-N 3.07Å
503Y58.8Low58.6Low63 Ų6396 Ų9625%0.24754%0.537CS..  trans-69.6119.1-176.6-178.4-97.6000110.6L499 S500 P505 M545 Y549L499-Y503 HydrophobicContact CD2-CD1 3.96Å; L499-Y503 HydrophobicContact CD2-CE1 4.49Å; L499-Y503 HydrophobicContact CD2-CG 4.29Å; S500-Y503 WeakPolarHBondContact O-CB 3.46Å; S500-Y503 PolarHBondContact O-N 3.38Å; S500-Y503 WeakPolarHBondContact OG-CB 3.48Å; S500-Y503 PolarHBondContact OG-N 3.14Å; Y503-P505 HydrophobicContact CE1-CG 4.23Å; Y503-M545 HydrophobicContact CE1-CB 4.01Å; Y503-M545 HydrophobicContact CE2-CB 3.78Å; Y503-M545 HydrophobicContact CE2-CG 4.38Å; Y503-M545 VanDerWaalsContact CZ-CB 3.45Å; Y503-M545 WeakPolarHBondContact OH-CB 3.42Å; Y503-Y549 AromaticContact CD1-CD2 3.88Å; Y503-Y549 HydrophobicContact CD1-CD2 3.88Å; Y503-Y549 HydrophobicContact CD1-CG 4.2Å; Y503-Y549 HydrophobicContact CE1-CD2 4.42Å; Y503-Y549 HydrophobicContact CE1-CG 4.3Å; Y503-Y549 WeakPolarHBondContact O-CE2 3.4Å
504S54.8Low55.9Low50 Ų5095.3 Ų95.335%0.3553%0.53SS..  trans-124.6129.6170.982.90000109.6S502 R506 S507S502-S504 PolarHBondContact O-N 3.07Å; S504-R506 PolarHBondContact O-N 2.68Å; S504-R506 VanDerWaalsContact O-N 3.09Å; S504-S507 PolarHBondContact O-N 3.05Å; S504-S507 PolarHBondContact O-OG 3.01Å; S504-S507 PolarHBondContact OG-N 2.76Å
505P53.7Low53.1Low72 Ų7298.1 Ų98.147%0.46855%0.551SS.*THydrogen-bonded Turntrans-63.5-16.3178.5-20.630.3000113.8Y503 Y549Y503-P505 HydrophobicContact CE1-CG 4.23Å; P505-Y549 HydrophobicContact CG-CD1 3.48Å; P505-Y549 VanDerWaalsContact CG-CD1 3.48Å; P505-Y549 HydrophobicContact CG-CD2 4.36Å; P505-Y549 HydrophobicContact CG-CE1 3.74Å; P505-Y549 HydrophobicContact CG-CG 3.84Å
506R47.8Very low50.7Low232 Ų232103.9 Ų103.988%0.87559%0.592SS**THydrogen-bonded Turntrans-94-3.1-175-71-173.8176.6172.20.6114.7S504 L508S504-R506 PolarHBondContact O-N 2.68Å; S504-R506 VanDerWaalsContact O-N 3.09Å; R506-L508 PolarHBondContact O-N 3.32Å
507S47.2Very low48.3Very low82 Ų82108.5 Ų108.557%0.57362%0.616SS**  trans-73.684.3167.350.50000109.1S504 A509S504-S507 PolarHBondContact O-N 3.05Å; S504-S507 PolarHBondContact O-OG 3.01Å; S504-S507 PolarHBondContact OG-N 2.76Å; S507-A509 PolarHBondContact O-N 2.89Å
508L41.7Very low45.8Very low168 Ų168111.1 Ų111.188%0.8863%0.63SS**  trans-53.9127.6165.5-83.7152.7000108.9R506R506-L508 PolarHBondContact O-N 3.32Å
509A38.2Very low43.8Very low73 Ų73119 Ų11960%0.60366%0.66SS**  trans67.389.6172.400000117.1S507 I511S507-A509 PolarHBondContact O-N 2.89Å; A509-I511 PolarHBondContact O-N 3.03Å; A509-I511 VanDerWaalsContact O-N 3.09Å
510G34.9Very low41.7Very low83 Ų83127.7 Ų127.786%0.85670%0.696SS**  trans-7436.8148.900000113.2Q512G510-Q512 VanDerWaalsContact C-N 3.29Å
511I40.2Very low40.2Very low160 Ų160129.5 Ų129.582%0.82172%0.715SS**  trans-103.940.8154.7-45.7177000107.4A509A509-I511 PolarHBondContact O-N 3.03Å; A509-I511 VanDerWaalsContact O-N 3.09Å
512Q32.5Very low39.6Very low172 Ų172124.8 Ų124.880%0.80470%0.704SS**SBendtrans-87.3112.6141.2-85.2174.2-8.900104.1G510 A514G510-Q512 VanDerWaalsContact C-N 3.29Å; Q512-A514 PolarHBondContact O-N 3.25Å
513E35.5Very low39.7Very low180 Ų180122.2 Ų122.284%0.84169%0.694SS**  trans-28.1111.2146.8-71.5173.6151.200106.5S515E513-S515 PolarHBondContact O-N 3.38Å
514A31.3Very low40Very low65 Ų65127.8 Ų127.854%0.53772%0.715SS.*  trans-54.3101.7158.400000103Q512 S516Q512-A514 PolarHBondContact O-N 3.25Å; A514-S516 PolarHBondContact O-N 2.89Å
515S27.9Very low40.9Very low87 Ų87126.1 Ų126.161%0.60870%0.702SS**  trans-43115.4170.941.20000105.1E513 T517E513-S515 PolarHBondContact O-N 3.38Å; S515-T517 PolarHBondContact O-N 3.13Å
516S33.6Very low42.3Very low123 Ų123123.1 Ų123.186%0.8668%0.683SS**THydrogen-bonded Turntrans-69.329.8-165.938.80000112.5A514A514-S516 PolarHBondContact O-N 2.89Å
517T31.6Very low44Very low116 Ų116113.3 Ų113.371%0.71265%0.645SS**THydrogen-bonded Turntrans-137.7-10.3-165.844.90000115.3S515S515-T517 PolarHBondContact O-N 3.13Å
518E29.6Very low45.5Very low177 Ų177116.5 Ų116.583%0.82765%0.651SS**SBendtrans-135.214.7-179.3-71.8-169.2164.200116.9K520E518-K520 PolarHBondContact O-N 3.44Å
519R37.1Very low47.1Very low213 Ų213113.5 Ų113.580%0.80463%0.633SS**  trans-83.292.2148.2-74.3-174.6-172.8175.34.2106.9A521R519-A521 PolarHBondContact O-N 2.96Å
520K33.5Very low49.3Very low203 Ų203111.3 Ų111.388%0.88361%0.609SS**  trans-51.6104.1153-82.2-179.4176.7175.60106.1E518 S522E518-K520 PolarHBondContact O-N 3.44Å; K520-S522 PolarHBondContact O-N 3.18Å
521A36Very low51.7Low100 Ų100107.7 Ų107.783%0.82657%0.57SS**  trans-63.378.7171.800000107.7R519 G523R519-A521 PolarHBondContact O-N 2.96Å; A521-G523 PolarHBondContact O-N 2.92Å
522S39.7Very low54.1Low97 Ų97100.4 Ų100.468%0.67853%0.532SS*.  trans-61114.4154.6-179.90000104.9K520 R524K520-S522 PolarHBondContact O-N 3.18Å; S522-R524 WeakPolarHBondContact O-CG 3.12Å; S522-R524 PolarHBondContact O-N 3.3Å
523G48.3Very low56.7Low51 Ų5192.4 Ų92.453%0.52650%0.495SS..  trans-47.898.9-177.600000111.8A521A521-G523 PolarHBondContact O-N 2.92Å
524R65Low59.1Low179 Ų17988.3 Ų88.368%0.67548%0.476SS*.  trans-84.8141.3175.2-70.4-176.7179.9-173.4-2.8108.4S522 P526 E529S522-R524 WeakPolarHBondContact O-CG 3.12Å; S522-R524 PolarHBondContact O-N 3.3Å; R524-P526 VanDerWaalsContact O-CD 3.3Å; R524-P526 WeakPolarHBondContact O-CD 3.45Å; R524-E529 HydrophobicContact CB-CG 4.39Å; R524-E529 WeakPolarHBondContact CB-OE1 3.45Å; R524-E529 WeakPolarHBondContact CD-OE1 3.38Å
525N74.6Confident61.6Low15 Ų1589.9 Ų89.98%0.0847%0.468CS..  trans-74.4116-171.3-175.3-10.8000110.6L334 W527 Q528 E529L334-N525 HydrophobicContact CD2-CB 4.39Å; N525-W527 PolarHBondContact O-N 2.68Å; N525-W527 VanDerWaalsContact O-N 3.08Å; N525-W527 WeakPolarHBondContact OD1-CB 3.42Å; N525-W527 PolarHBondContact OD1-N 3.47Å; N525-W527 VanDerWaalsContact OD1-N 3.11Å; N525-Q528 HydrophobicContact CB-CB 4.38Å; N525-Q528 HydrophobicContact CB-CG 4.21Å; N525-Q528 PolarHBondContact O-N 2.93Å; N525-E529 PolarHBondContact O-N 2.75Å
526P82.2Confident64.3Low10 Ų1087.4 Ų87.47%0.06546%0.457CS..Hα-helixtrans-57.5-27.2-179.3-25.535.4000113.8L339 V342 N343 V346 R524 Q528 E529 Y530L339-P526 HydrophobicContact CB-CG 4.44Å; L339-P526 HydrophobicContact CD2-CG 4.22Å; V342-P526 HydrophobicContact CB-CG 4.18Å; V342-P526 HydrophobicContact CG1-CB 4.06Å; V342-P526 HydrophobicContact CG1-CG 4Å; N343-P526 HydrophobicContact CB-CB 4.25Å; V346-P526 HydrophobicContact CG2-CB 4.44Å; R524-P526 VanDerWaalsContact O-CD 3.3Å; R524-P526 WeakPolarHBondContact O-CD 3.45Å; P526-Q528 VanDerWaalsContact C-N 3.28Å; P526-Q528 PolarHBondContact O-N 3.4Å; P526-E529 PolarHBondContact O-N 3.08Å; P526-Y530 PolarHBondContact O-N 2.81Å
527W84Confident66.8Low25 Ų2583.6 Ų83.610%0.09543%0.426CS..Hα-helixtrans-67.1-27.3175.9-63.699.1000113.2G323 L326 A327 M330 L345 V346 L349 Y350 N525G323-W527 WeakPolarHBondContact O-CZ3 3.2Å; L326-W527 HydrophobicContact CB-CH2 3.75Å; L326-W527 HydrophobicContact CB-CZ2 3.75Å; L326-W527 HydrophobicContact CD1-CH2 3.85Å; L326-W527 HydrophobicContact CD1-CZ2 4.32Å; L326-W527 HydrophobicContact CG-CH2 4.5Å; A327-W527 HydrophobicContact CB-CB 3.76Å; A327-W527 HydrophobicContact CB-CD2 3.67Å; A327-W527 HydrophobicContact CB-CE3 4.21Å; A327-W527 HydrophobicContact CB-CG 3.44Å; A327-W527 VanDerWaalsContact CB-CG 3.44Å; M330-W527 HydrophobicContact SD-CZ2 4.09Å; L345-W527 HydrophobicContact CD2-CH2 4.31Å; L345-W527 HydrophobicContact CD2-CZ2 4.09Å; L345-W527 HydrophobicContact CG-CH2 4.32Å; L345-W527 HydrophobicContact CG-CZ2 4.46Å; V346-W527 HydrophobicContact CG2-CD2 3.53Å; V346-W527 HydrophobicContact CG2-CE3 3.59Å; V346-W527 HydrophobicContact CG2-CG 4.03Å; V346-W527 HydrophobicContact CG2-CH2 4.16Å; V346-W527 HydrophobicContact CG2-CZ2 4.15Å; V346-W527 HydrophobicContact CG2-CZ3 3.89Å; L349-W527 HydrophobicContact CD2-CZ3 4.12Å; Y350-W527 HydrophobicContact CE2-CE3 4.27Å; Y350-W527 HydrophobicContact CE2-CZ3 4.23Å; N525-W527 PolarHBondContact O-N 2.68Å; N525-W527 VanDerWaalsContact O-N 3.08Å; N525-W527 WeakPolarHBondContact OD1-CB 3.42Å; N525-W527 PolarHBondContact OD1-N 3.47Å; N525-W527 VanDerWaalsContact OD1-N 3.11Å
528Q78.4Confident69.4Low149 Ų14982.5 Ų82.570%0.69641%0.414SS*.Hα-helixtrans-93.9-21.9179.5-66177.7-900112.7N525 P526N525-Q528 HydrophobicContact CB-CB 4.38Å; N525-Q528 HydrophobicContact CB-CG 4.21Å; N525-Q528 PolarHBondContact O-N 2.93Å; P526-Q528 VanDerWaalsContact C-N 3.28Å; P526-Q528 PolarHBondContact O-N 3.4Å
529E75.4Confident72.1Confident106 Ų10677.9 Ų77.950%0.49540%0.401SS..Hα-helixtrans-86.5-8-179.2-67.6-167.1154.500113.8R524 N525 P526 N531R524-E529 HydrophobicContact CB-CG 4.39Å; R524-E529 WeakPolarHBondContact CB-OE1 3.45Å; R524-E529 WeakPolarHBondContact CD-OE1 3.38Å; N525-E529 PolarHBondContact O-N 2.75Å; P526-E529 PolarHBondContact O-N 3.08Å; E529-N531 PolarHBondContact O-N 2.91Å
530Y83.6Confident74.4Confident26 Ų2671.7 Ų71.710%0.10238%0.382CS..  trans-62.7111.1179.5-175.9-94.2000110.8V346 Y350 D351 P526V346-Y530 HydrophobicContact CG1-CD2 3.77Å; V346-Y530 HydrophobicContact CG1-CG 3.96Å; Y350-Y530 VanDerWaalsContact CB-CE1 3.43Å; Y350-Y530 HydrophobicContact CD2-CD1 4.33Å; Y350-Y530 HydrophobicContact CD2-CG 4.36Å; Y350-Y530 HydrophobicContact CG-CD1 4.23Å; Y350-Y530 HydrophobicContact CG-CE1 4.13Å; Y350-Y530 PolarHBondContact O-OH 2.89Å; D351-Y530 PolarHBondContact N-OH 3.42Å; D351-Y530 PolarHBondContact OD1-OH 3.1Å; P526-Y530 PolarHBondContact O-N 2.81Å
531N86.5Confident77Confident8 Ų863.7 Ų63.74%0.04335%0.346CS..  trans-124.8101.7177.7-169.2-48.5000109.2E529 L533 Q534 R535E529-N531 PolarHBondContact O-N 2.91Å; N531-L533 PolarHBondContact O-N 2.96Å; N531-L533 WeakPolarHBondContact OD1-CB 3.31Å; N531-L533 PolarHBondContact OD1-N 3.5Å; N531-L533 VanDerWaalsContact OD1-N 3.1Å; N531-Q534 HydrophobicContact CB-CB 4.07Å; N531-Q534 PolarHBondContact OD1-N 3.24Å; N531-R535 WeakPolarHBondContact O-CG 3.38Å; N531-R535 PolarHBondContact O-N 3.36Å
532Y90Very high79.4Confident6 Ų663 Ų632%0.02433%0.328CS..Hα-helixtrans-62.8-33.7-178.277-90.9000111.9Q357 L358 T411 L414 A415 R535 G536Q357-Y532 HydrophobicContact CB-CD1 4.32Å; Q357-Y532 HydrophobicContact CB-CD2 3.61Å; Q357-Y532 HydrophobicContact CB-CE1 4.3Å; Q357-Y532 HydrophobicContact CB-CE2 3.61Å; Q357-Y532 HydrophobicContact CB-CG 4Å; Q357-Y532 VanDerWaalsContact OE1-CB 3.29Å; Q357-Y532 VanDerWaalsContact OE1-CG 3.27Å; L358-Y532 HydrophobicContact CD2-CD2 4.14Å; L358-Y532 HydrophobicContact CD2-CE2 4.16Å; L358-Y532 HydrophobicContact CG-CD2 4.39Å; T411-Y532 WeakPolarHBondContact CB-OH 3.48Å; T411-Y532 HydrophobicContact CG2-CE1 4.15Å; L414-Y532 HydrophobicContact CB-CE1 3.66Å; L414-Y532 HydrophobicContact CD1-CD1 3.98Å; L414-Y532 HydrophobicContact CD1-CE1 3.74Å; L414-Y532 HydrophobicContact CG-CE1 4.32Å; A415-Y532 WeakPolarHBondContact CA-OH 3.48Å; A415-Y532 WeakPolarHBondContact CB-OH 3.12Å; A415-Y532 PolarHBondContact N-OH 2.74Å; A415-Y532 VanDerWaalsContact N-OH 3.12Å; Y532-R535 PolarHBondContact O-N 3.31Å; Y532-G536 PolarHBondContact O-N 3.45Å
533L87.5Confident81.7Confident5 Ų561.9 Ų61.93%0.02632%0.321CS..Hα-helixtrans-72.5-44.8-175.9-168.865.7000110.9L358 L414 N531 R535 G536 N537 E540 Y541 L544L358-L533 HydrophobicContact CD2-CD1 3.95Å; L414-L533 HydrophobicContact CB-CB 4.48Å; L414-L533 HydrophobicContact CB-CD2 4.45Å; N531-L533 PolarHBondContact O-N 2.96Å; N531-L533 WeakPolarHBondContact OD1-CB 3.31Å; N531-L533 PolarHBondContact OD1-N 3.5Å; N531-L533 VanDerWaalsContact OD1-N 3.1Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.32Å; L533-G536 PolarHBondContact O-N 3.42Å; L533-G536 VanDerWaalsContact O-N 3.16Å; L533-N537 HydrophobicContact CD1-CB 4.31Å; L533-N537 CarbonylContact O-C 3.45Å; L533-N537 VanDerWaalsContact O-C 3.28Å; L533-N537 PolarHBondContact O-N 3.42Å; L533-E540 HydrophobicContact CD1-CB 3.94Å; L533-Y541 HydrophobicContact CD2-CD2 4.28Å; L533-Y541 HydrophobicContact CG-CD2 4.5Å; L533-L544 HydrophobicContact CD2-CD2 3.99Å
534Q86Confident83.7Confident94 Ų9459.4 Ų59.444%0.43930%0.296SS..Hα-helixtrans-62-36.2175.4-169.3-179.56.400112N531 M538 Y541N531-Q534 HydrophobicContact CB-CB 4.07Å; N531-Q534 PolarHBondContact OD1-N 3.24Å; Q534-M538 HydrophobicContact CG-CE 3.7Å; Q534-M538 HydrophobicContact CG-SD 4.11Å; Q534-M538 WeakPolarHBondContact O-CE 3.31Å; Q534-Y541 HydrophobicContact CB-CD2 4.22Å; Q534-Y541 HydrophobicContact CB-CE2 4.42Å; Q534-Y541 HydrophobicContact CB-CG 4.42Å
535R82.6Confident84.9Confident98 Ų9851 Ų5137%0.3726%0.264SS..Hα-helixtrans-78.6-19.8177.1-67.1179.4179.4-159.20.7113.7N343 S347 K354 N531 Y532 L533N343-R535 PolarHBondContact OD1-NH2 3.42Å; S347-R535 PolarHBondContact OG-NH1 3.14Å; K354-R535 VanDerWaalsContact NZ-C 3.32Å; K354-R535 PolarHBondContact NZ-O 3.25Å; N531-R535 WeakPolarHBondContact O-CG 3.38Å; N531-R535 PolarHBondContact O-N 3.36Å; Y532-R535 PolarHBondContact O-N 3.31Å; L533-R535 VanDerWaalsContact C-N 3.27Å; L533-R535 PolarHBondContact O-N 3.32Å
536G84.2Confident85.5Confident35 Ų3551.6 Ų51.636%0.36127%0.273SS..Hα-helixtrans-109.9-43.9-170.400000114.4Y532 L533Y532-G536 PolarHBondContact O-N 3.45Å; L533-G536 PolarHBondContact O-N 3.42Å; L533-G536 VanDerWaalsContact O-N 3.16Å
537N87Confident85.7Confident42 Ų4252.8 Ų52.823%0.22528%0.279CS..  trans-149.290.3-174.9-169.6-24.7000110.9L358 L533 S539 E540 Y541L358-N537 HydrophobicContact CD2-CB 4.05Å; L533-N537 HydrophobicContact CD1-CB 4.31Å; L533-N537 CarbonylContact O-C 3.45Å; L533-N537 VanDerWaalsContact O-C 3.28Å; L533-N537 PolarHBondContact O-N 3.42Å; N537-S539 VanDerWaalsContact C-N 3.3Å; N537-S539 PolarHBondContact O-N 3.37Å; N537-S539 PolarHBondContact OD1-N 2.9Å; N537-S539 PolarHBondContact OD1-OG 3.38Å; N537-E540 HydrophobicContact CB-CB 4.21Å; N537-E540 WeakPolarHBondContact ND2-CG 3.28Å; N537-E540 PolarHBondContact ND2-OE1 3.41Å; N537-E540 PolarHBondContact ND2-OE2 2.99Å; N537-E540 PolarHBondContact O-N 2.93Å; N537-E540 PolarHBondContact OD1-N 3.25Å; N537-E540 VanDerWaalsContact OD1-N 3.08Å; N537-Y541 PolarHBondContact O-N 3.01Å; N537-Y541 VanDerWaalsContact O-N 3.11Å
538M86.2Confident85.9Confident93 Ų9351.6 Ų51.646%0.45828%0.275SS..Hα-helixtrans-64.7-31.5-178.1-168.264.369.800113Q534 Y541 N542Q534-M538 HydrophobicContact CG-CE 3.7Å; Q534-M538 HydrophobicContact CG-SD 4.11Å; Q534-M538 WeakPolarHBondContact O-CE 3.31Å; M538-Y541 PolarHBondContact O-N 3.35Å; M538-Y541 HydrophobicContact SD-CD1 4.18Å; M538-N542 VanDerWaalsContact O-CG 3.23Å; M538-N542 PolarHBondContact O-N 3.45Å; M538-N542 PolarHBondContact O-ND2 3.38Å
539S85.4Confident86.3Confident80 Ų8048 Ų4856%0.55926%0.255SS*.Hα-helixtrans-67-42.9177.534.30000112.8N537 Y541 N542 S543N537-S539 VanDerWaalsContact C-N 3.3Å; N537-S539 PolarHBondContact O-N 3.37Å; N537-S539 PolarHBondContact OD1-N 2.9Å; N537-S539 PolarHBondContact OD1-OG 3.38Å; S539-Y541 VanDerWaalsContact C-N 3.35Å; S539-N542 PolarHBondContact O-N 3.45Å; S539-S543 PolarHBondContact O-N 2.72Å; S539-S543 PolarHBondContact O-OG 2.86Å
540E86.5Confident86.8Confident83 Ų8344.9 Ų44.939%0.38825%0.245SC..Hα-helixtrans-67.3-38.6175-79.7176.5-169.800111.4L533 N537 N542 S543 L544L533-E540 HydrophobicContact CD1-CB 3.94Å; N537-E540 HydrophobicContact CB-CB 4.21Å; N537-E540 WeakPolarHBondContact ND2-CG 3.28Å; N537-E540 PolarHBondContact ND2-OE1 3.41Å; N537-E540 PolarHBondContact ND2-OE2 2.99Å; N537-E540 PolarHBondContact O-N 2.93Å; N537-E540 PolarHBondContact OD1-N 3.25Å; N537-E540 VanDerWaalsContact OD1-N 3.08Å; E540-N542 PolarHBondContact O-N 3.09Å; E540-S543 WeakPolarHBondContact O-CB 3.5Å; E540-S543 PolarHBondContact O-N 2.92Å; E540-L544 WeakPolarHBondContact O-CB 3.4Å; E540-L544 PolarHBondContact O-N 3.21Å
541Y88.2Confident86.9Confident36 Ų3643.9 Ų43.914%0.14124%0.241CC..Hα-helixtrans-57.7-47172.6-178.1-97.6000111.8L533 Q534 N537 M538 S539 S543 L544 M545L533-Y541 HydrophobicContact CD2-CD2 4.28Å; L533-Y541 HydrophobicContact CG-CD2 4.5Å; Q534-Y541 HydrophobicContact CB-CD2 4.22Å; Q534-Y541 HydrophobicContact CB-CE2 4.42Å; Q534-Y541 HydrophobicContact CB-CG 4.42Å; N537-Y541 PolarHBondContact O-N 3.01Å; N537-Y541 VanDerWaalsContact O-N 3.11Å; M538-Y541 PolarHBondContact O-N 3.35Å; M538-Y541 HydrophobicContact SD-CD1 4.18Å; S539-Y541 VanDerWaalsContact C-N 3.35Å; Y541-S543 VanDerWaalsContact C-N 3.32Å; Y541-S543 PolarHBondContact O-N 3.28Å; Y541-L544 WeakPolarHBondContact O-CB 3.37Å; Y541-L544 PolarHBondContact O-N 2.93Å; Y541-M545 HydrophobicContact CD1-CG 4.19Å; Y541-M545 HydrophobicContact CD2-CE 4.31Å; Y541-M545 HydrophobicContact CE1-CG 3.77Å; Y541-M545 HydrophobicContact CE1-SD 4.46Å; Y541-M545 HydrophobicContact CE2-CE 3.74Å; Y541-M545 HydrophobicContact CE2-CG 4.46Å; Y541-M545 HydrophobicContact CE2-SD 4.44Å; Y541-M545 WeakPolarHBondContact O-CG 3.32Å; Y541-M545 PolarHBondContact O-N 3.49Å
542N86.9Confident86.8Confident84 Ų8449.5 Ų49.545%0.44927%0.265SS..Hα-helixtrans-63.5-38.9177.1-70.4-26.5000112.4M538 S539 E540 M545 G546M538-N542 VanDerWaalsContact O-CG 3.23Å; M538-N542 PolarHBondContact O-N 3.45Å; M538-N542 PolarHBondContact O-ND2 3.38Å; S539-N542 PolarHBondContact O-N 3.45Å; E540-N542 PolarHBondContact O-N 3.09Å; N542-M545 PolarHBondContact O-N 2.66Å; N542-G546 PolarHBondContact O-N 2.9Å
543S88.2Confident86.5Confident74 Ų7455.7 Ų55.752%0.51729%0.294SS..Hα-helixtrans-63.8-42.4176.2-56.80000111.5S539 E540 Y541 G546 L547S539-S543 PolarHBondContact O-N 2.72Å; S539-S543 PolarHBondContact O-OG 2.86Å; E540-S543 WeakPolarHBondContact O-CB 3.5Å; E540-S543 PolarHBondContact O-N 2.92Å; Y541-S543 VanDerWaalsContact C-N 3.32Å; Y541-S543 PolarHBondContact O-N 3.28Å; S543-G546 PolarHBondContact O-N 3.35Å; S543-L547 PolarHBondContact O-N 3.15Å
544L89.4Confident86Confident0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-60.3-48.5173.8176.168.7000111.2L414 L416 L533 E540 Y541 G546 L547 L548L414-L544 HydrophobicContact CB-CD2 4.5Å; L414-L544 HydrophobicContact CD2-CD2 3.93Å; L414-L544 WeakPolarHBondContact O-CD2 3.2Å; L416-L544 HydrophobicContact CB-CD1 3.72Å; L416-L544 HydrophobicContact CD2-CD1 3.97Å; L416-L544 HydrophobicContact CG-CD1 4.34Å; L533-L544 HydrophobicContact CD2-CD2 3.99Å; E540-L544 WeakPolarHBondContact O-CB 3.4Å; E540-L544 PolarHBondContact O-N 3.21Å; Y541-L544 WeakPolarHBondContact O-CB 3.37Å; Y541-L544 PolarHBondContact O-N 2.93Å; L544-G546 VanDerWaalsContact C-N 3.3Å; L544-G546 PolarHBondContact O-N 2.87Å; L544-L547 PolarHBondContact O-N 2.96Å; L544-L547 VanDerWaalsContact O-N 3.15Å; L544-L548 HydrophobicContact CD1-CD1 4.24Å; L544-L548 HydrophobicContact CD1-CG 4.2Å; L544-L548 HydrophobicContact CG-CD1 3.98Å; L544-L548 HydrophobicContact CG-CG 4.33Å; L544-L548 WeakPolarHBondContact O-CG 3.31Å; L544-L548 PolarHBondContact O-N 3.14Å
545M89.3Confident85.4Confident3 Ų358 Ų582%0.01531%0.312CS..Hα-helixtrans-61.5-39.7179.4-66.8-58.6111.600111.9L499 Y503 Y541 N542 L548 Y549L499-M545 HydrophobicContact CD2-SD 4.07Å; Y503-M545 HydrophobicContact CE1-CB 4.01Å; Y503-M545 HydrophobicContact CE2-CB 3.78Å; Y503-M545 HydrophobicContact CE2-CG 4.38Å; Y503-M545 VanDerWaalsContact CZ-CB 3.45Å; Y503-M545 WeakPolarHBondContact OH-CB 3.42Å; Y541-M545 HydrophobicContact CD1-CG 4.19Å; Y541-M545 HydrophobicContact CD2-CE 4.31Å; Y541-M545 HydrophobicContact CE1-CG 3.77Å; Y541-M545 HydrophobicContact CE1-SD 4.46Å; Y541-M545 HydrophobicContact CE2-CE 3.74Å; Y541-M545 HydrophobicContact CE2-CG 4.46Å; Y541-M545 HydrophobicContact CE2-SD 4.44Å; Y541-M545 WeakPolarHBondContact O-CG 3.32Å; Y541-M545 PolarHBondContact O-N 3.49Å; N542-M545 PolarHBondContact O-N 2.66Å; M545-L548 HydrophobicContact CE-CD1 3.76Å; M545-L548 PolarHBondContact O-N 3.44Å; M545-L548 HydrophobicContact SD-CD1 4.46Å; M545-Y549 WeakPolarHBondContact O-CB 3.37Å; M545-Y549 PolarHBondContact O-N 3.31Å
546G87Confident84.9Confident26 Ų2655.1 Ų55.127%0.26831%0.305SS..Hα-helixtrans-61.3-42.917300000112.9N542 S543 L544 S550N542-G546 PolarHBondContact O-N 2.9Å; S543-G546 PolarHBondContact O-N 3.35Å; L544-G546 VanDerWaalsContact C-N 3.3Å; L544-G546 PolarHBondContact O-N 2.87Å; G546-S550 PolarHBondContact O-N 3.22Å
547L87.4Confident83.9Confident36 Ų3656.4 Ų56.419%0.18832%0.318CS..Hα-helixtrans-63.7-49176.4-175.2150.6000111.5L416 L420 S543 L544 Y549 S550 L551 L561L416-L547 HydrophobicContact CD2-CD2 3.65Å; L420-L547 HydrophobicContact CD1-CD1 3.58Å; S543-L547 PolarHBondContact O-N 3.15Å; L544-L547 PolarHBondContact O-N 2.96Å; L544-L547 VanDerWaalsContact O-N 3.15Å; L547-Y549 VanDerWaalsContact C-N 3.33Å; L547-Y549 PolarHBondContact O-N 3.33Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 PolarHBondContact O-OG 3.47Å; L547-L551 HydrophobicContact CD2-CD1 3.56Å; L547-L551 HydrophobicContact CD2-CG 4.16Å; L547-L551 PolarHBondContact O-N 3.07Å; L547-L561 HydrophobicContact CD1-CD2 4.31Å; L547-L561 HydrophobicContact CD2-CD2 4.3Å; L547-L561 HydrophobicContact CG-CD2 4.47Å
548L87.9Confident82.7Confident0 Ų060.4 Ų60.40%034%0.34CS..Hα-helixtrans-61.4-41.2179-67.3173.8000111.9L416 I491 A495 L499 L544 M545 L551 K552L416-L548 HydrophobicContact CD2-CD2 4.27Å; I491-L548 HydrophobicContact CG2-CD2 3.44Å; I491-L548 VanDerWaalsContact CG2-CD2 3.44Å; A495-L548 HydrophobicContact CB-CD1 3.97Å; A495-L548 HydrophobicContact CB-CD2 3.88Å; L499-L548 HydrophobicContact CD1-CB 3.59Å; L499-L548 HydrophobicContact CD2-CB 3.95Å; L499-L548 HydrophobicContact CG-CB 3.81Å; L499-L548 HydrophobicContact CG-CD1 4.27Å; L544-L548 HydrophobicContact CD1-CD1 4.24Å; L544-L548 HydrophobicContact CD1-CG 4.2Å; L544-L548 HydrophobicContact CG-CD1 3.98Å; L544-L548 HydrophobicContact CG-CG 4.33Å; L544-L548 WeakPolarHBondContact O-CG 3.31Å; L544-L548 PolarHBondContact O-N 3.14Å; M545-L548 HydrophobicContact CE-CD1 3.76Å; M545-L548 PolarHBondContact O-N 3.44Å; M545-L548 HydrophobicContact SD-CD1 4.46Å; L548-L551 PolarHBondContact O-N 3.43Å; L548-K552 PolarHBondContact O-N 2.71Å
549Y86.1Confident82Confident73 Ų7356.6 Ų56.629%0.28632%0.322SS..Hα-helixtrans-60.2-46.5174.6178.7-89.2000111.2Y503 P505 M545 L547 L551 K552 E553Y503-Y549 AromaticContact CD1-CD2 3.88Å; Y503-Y549 HydrophobicContact CD1-CD2 3.88Å; Y503-Y549 HydrophobicContact CD1-CG 4.2Å; Y503-Y549 HydrophobicContact CE1-CD2 4.42Å; Y503-Y549 HydrophobicContact CE1-CG 4.3Å; Y503-Y549 WeakPolarHBondContact O-CE2 3.4Å; P505-Y549 HydrophobicContact CG-CD1 3.48Å; P505-Y549 VanDerWaalsContact CG-CD1 3.48Å; P505-Y549 HydrophobicContact CG-CD2 4.36Å; P505-Y549 HydrophobicContact CG-CE1 3.74Å; P505-Y549 HydrophobicContact CG-CG 3.84Å; M545-Y549 WeakPolarHBondContact O-CB 3.37Å; M545-Y549 PolarHBondContact O-N 3.31Å; L547-Y549 VanDerWaalsContact C-N 3.33Å; L547-Y549 PolarHBondContact O-N 3.33Å; Y549-L551 VanDerWaalsContact C-N 3.3Å; Y549-L551 PolarHBondContact O-N 3.23Å; Y549-K552 PolarHBondContact O-N 3.22Å; Y549-K552 VanDerWaalsContact O-N 3.16Å; Y549-E553 HydrophobicContact CE1-CB 4.48Å; Y549-E553 VanDerWaalsContact CE1-OE2 3.29Å; Y549-E553 WeakPolarHBondContact CE1-OE2 3.37Å; Y549-E553 PolarHBondContact O-N 3.38Å
550S86Confident81.8Confident40 Ų4056.7 Ų56.728%0.2832%0.323SS..Hα-helixtrans-62.6-35.7179.178.50000113.1G546 L547 K554G546-S550 PolarHBondContact O-N 3.22Å; L547-S550 PolarHBondContact O-N 3.18Å; L547-S550 PolarHBondContact O-OG 3.47Å; S550-K554 WeakPolarHBondContact O-CB 3.49Å; S550-K554 WeakPolarHBondContact O-CG 3.15Å; S550-K554 PolarHBondContact O-N 3.07Å
551L86Confident81.9Confident5 Ų553.7 Ų53.73%0.02631%0.309CS..Hα-helixtrans-68.3-40.5174.7-73.5177.4000111.8I491 L492 L547 L548 Y549 G555 S559 L561I491-L551 HydrophobicContact CG2-CD1 3.81Å; L492-L551 HydrophobicContact CD1-CB 4.5Å; L492-L551 HydrophobicContact CD2-CB 4.15Å; L492-L551 HydrophobicContact CG-CB 4.45Å; L547-L551 HydrophobicContact CD2-CD1 3.56Å; L547-L551 HydrophobicContact CD2-CG 4.16Å; L547-L551 PolarHBondContact O-N 3.07Å; L548-L551 PolarHBondContact O-N 3.43Å; Y549-L551 VanDerWaalsContact C-N 3.3Å; Y549-L551 PolarHBondContact O-N 3.23Å; L551-G555 PolarHBondContact O-N 3.41Å; L551-S559 VanDerWaalsContact CD2-CB 3.48Å; L551-L561 HydrophobicContact CD1-CD1 4.24Å; L551-L561 HydrophobicContact CD1-CD2 4.34Å; L551-L561 HydrophobicContact CD2-CD1 4.08Å; L551-L561 HydrophobicContact CD2-CD2 4.05Å; L551-L561 HydrophobicContact CD2-CG 4.05Å
552K84.9Confident82Confident127 Ų12752 Ų5255%0.55230%0.302SS*.Hα-helixtrans-65.4-40.2176.9-171.1179.4179.6-178.60111.8L492 L499 L548 Y549L492-K552 HydrophobicContact CD2-CB 4.45Å; L499-K552 HydrophobicContact CD1-CD 4.34Å; L548-K552 PolarHBondContact O-N 2.71Å; Y549-K552 PolarHBondContact O-N 3.22Å; Y549-K552 VanDerWaalsContact O-N 3.16Å
553E83.5Confident82.2Confident135 Ų13550.1 Ų50.163%0.63130%0.299SS*.Hα-helixtrans-74-45.4-178.5-172.4-179.8-164.500112.8Y549 G555Y549-E553 HydrophobicContact CE1-CB 4.48Å; Y549-E553 VanDerWaalsContact CE1-OE2 3.29Å; Y549-E553 WeakPolarHBondContact CE1-OE2 3.37Å; Y549-E553 PolarHBondContact O-N 3.38Å; E553-G555 VanDerWaalsContact C-N 3.3Å; E553-G555 PolarHBondContact O-N 3.44Å
554K77.2Confident82.4Confident118 Ų11852.5 Ų52.551%0.51330%0.302SS..Hα-helixtrans-76.8-16.8-177-68.1178.9178.6-1790113.7S550 N558S550-K554 WeakPolarHBondContact O-CB 3.49Å; S550-K554 WeakPolarHBondContact O-CG 3.15Å; S550-K554 PolarHBondContact O-N 3.07Å; K554-N558 HydrophobicContact CB-CB 4.49Å
555G73.3Confident82.6Confident31 Ų3152.8 Ų52.832%0.3230%0.304SS..  trans74.6156.2-17000000112.4L551 E553 G557 N558L551-G555 PolarHBondContact O-N 3.41Å; E553-G555 VanDerWaalsContact C-N 3.3Å; E553-G555 PolarHBondContact O-N 3.44Å; G555-G557 VanDerWaalsContact C-N 3.25Å; G555-G557 PolarHBondContact O-N 3.02Å; G555-N558 PolarHBondContact O-N 2.84Å
556T72.8Confident82.8Confident36 Ų3659.5 Ų59.522%0.22133%0.329CS..G310 helixtrans-69.8-19.9-171.6530000113.8L485 N489 L492 S559L485-T556 WeakPolarHBondContact CD1-O 3.5Å; N489-T556 WeakPolarHBondContact OD1-CB 3.29Å; N489-T556 WeakPolarHBondContact OD1-CG2 3.28Å; N489-T556 PolarHBondContact OD1-OG1 3.04Å; N489-T556 VanDerWaalsContact OD1-OG1 3.05Å; L492-T556 HydrophobicContact CD1-CG2 3.5Å; L492-T556 VanDerWaalsContact CD1-CG2 3.5Å; T556-S559 PolarHBondContact O-OG 2.98Å
557G61.8Low83Confident63 Ų6363.2 Ų63.265%0.64935%0.346SS*.G310 helixtrans-77.1-18176.400000115.3G555G555-G557 VanDerWaalsContact C-N 3.25Å; G555-G557 PolarHBondContact O-N 3.02Å
558N62.4Low83.4Confident126 Ų12662.5 Ų62.567%0.67435%0.346SS*.G310 helixtrans-114.615.5-178.1-68.4-27.2000112.7K554 G555 S560K554-N558 HydrophobicContact CB-CB 4.49Å; G555-N558 PolarHBondContact O-N 2.84Å; N558-S560 PolarHBondContact O-N 2.99Å
559S72.6Confident83.7Confident13 Ų1362.7 Ų62.79%0.09135%0.346CS..  trans-67132.6176.159.30000110.2E484 S488 L551 T556E484-S559 VanDerWaalsContact CD-O 3.32Å; S488-S559 WeakPolarHBondContact OG-CB 3.44Å; S488-S559 PolarHBondContact OG-OG 3.09Å; L551-S559 VanDerWaalsContact CD2-CB 3.48Å; T556-S559 PolarHBondContact O-OG 2.98Å
560S81.3Confident84Confident81 Ų8161 Ų6157%0.56634%0.344SS*.  trans-108.242.8176.966.90000111.3E484 N558E484-S560 VanDerWaalsContact OE1-C 3.3Å; E484-S560 WeakPolarHBondContact OE1-CA 3.48Å; N558-S560 PolarHBondContact O-N 2.99Å
561L88Confident84.4Confident20 Ų2065.8 Ų65.811%0.10536%0.356CS..THydrogen-bonded Turntrans-68.6-35.5-177-66.1178.5000111.8L420 E484 L487 S488 I491 L547 L551L420-L561 HydrophobicContact CD1-CD2 3.97Å; L420-L561 HydrophobicContact CD2-CB 4.18Å; L420-L561 HydrophobicContact CD2-CD2 4.45Å; E484-L561 PolarHBondContact OE1-N 2.86Å; L487-L561 HydrophobicContact CD2-CD1 4.29Å; L487-L561 HydrophobicContact CG-CD1 4.31Å; S488-L561 VanDerWaalsContact OG-CD1 3.29Å; S488-L561 WeakPolarHBondContact OG-CD1 3.29Å; I491-L561 HydrophobicContact CD1-CD1 3.74Å; L547-L561 HydrophobicContact CD1-CD2 4.31Å; L547-L561 HydrophobicContact CD2-CD2 4.3Å; L547-L561 HydrophobicContact CG-CD2 4.47Å; L551-L561 HydrophobicContact CD1-CD1 4.24Å; L551-L561 HydrophobicContact CD1-CD2 4.34Å; L551-L561 HydrophobicContact CD2-CD1 4.08Å; L551-L561 HydrophobicContact CD2-CD2 4.05Å; L551-L561 HydrophobicContact CD2-CG 4.05Å
562L90.5Very high84.7Confident0 Ų065.6 Ų65.60%036%0.355CS..THydrogen-bonded Turntrans-115.529.4-177.1-59.2179.2000112.6F427 Y483 E484 L487 E564 P565 R566F427-L562 HydrophobicContact CE2-CD1 4.21Å; F427-L562 HydrophobicContact CE2-CD2 4.47Å; Y483-L562 HydrophobicContact CD1-CD1 3.59Å; Y483-L562 HydrophobicContact CE1-CD1 3.8Å; E484-L562 HydrophobicContact CB-CD1 4.25Å; E484-L562 PolarHBondContact OE1-N 3.01Å; L487-L562 HydrophobicContact CD2-CD1 4.39Å; L487-L562 HydrophobicContact CD2-CG 4.48Å; L562-E564 PolarHBondContact O-N 2.83Å; L562-P565 HydrophobicContact CB-CB 4.38Å; L562-P565 HydrophobicContact CB-CG 4.25Å; L562-P565 HydrophobicContact CD2-CG 4.24Å; L562-P565 VanDerWaalsContact O-CD 3.3Å; L562-P565 WeakPolarHBondContact O-CD 3.42Å; L562-R566 WeakPolarHBondContact O-CB 3.5Å; L562-R566 PolarHBondContact O-N 2.83Å
563A90.9Very high85.2Confident46 Ų4659.6 Ų59.638%0.3833%0.329SS..Hα-helixtrans-57.2-44.7-179.700000113.3R566 V567A563-R566 PolarHBondContact O-N 3.35Å; A563-V567 WeakPolarHBondContact O-CG2 3.33Å; A563-V567 PolarHBondContact O-N 2.8Å
564E92.3Very high85.6Confident123 Ų12356.2 Ų56.258%0.57531%0.313SS*.Hα-helixtrans-60.6-53.9176.4-79.4161.8-147.400112.2K424 L562 R566 V567 A568K424-E564 WeakPolarHBondContact CD-OE2 3.49Å; K424-E564 WeakPolarHBondContact CE-OE2 3.32Å; K424-E564 IonicContact NZ-OE1 3.53Å; K424-E564 PolarHBondContact NZ-OE1 3.35Å; K424-E564 IonicContact NZ-OE2 3.37Å; K424-E564 PolarHBondContact NZ-OE2 3.07Å; L562-E564 PolarHBondContact O-N 2.83Å; E564-R566 VanDerWaalsContact C-N 3.31Å; E564-R566 PolarHBondContact O-N 3.46Å; E564-V567 PolarHBondContact O-N 3.5Å; E564-A568 PolarHBondContact O-N 3.28Å
565P93.6Very high86.3Confident6 Ų653.8 Ų53.84%0.03930%0.303CS..Hα-helixtrans-51.8-44170.2-31.334.2000114.3K424 F427 L562 V567 A568 L569K424-P565 HydrophobicContact CG-CG 4.31Å; F427-P565 HydrophobicContact CB-CB 3.79Å; F427-P565 HydrophobicContact CB-CG 3.95Å; F427-P565 HydrophobicContact CD1-CB 4.33Å; F427-P565 HydrophobicContact CD2-CB 4.08Å; F427-P565 HydrophobicContact CD2-CG 4.06Å; F427-P565 HydrophobicContact CG-CB 3.82Å; F427-P565 HydrophobicContact CG-CG 4.15Å; L562-P565 HydrophobicContact CB-CB 4.38Å; L562-P565 HydrophobicContact CB-CG 4.25Å; L562-P565 HydrophobicContact CD2-CG 4.24Å; L562-P565 VanDerWaalsContact O-CD 3.3Å; L562-P565 WeakPolarHBondContact O-CD 3.42Å; P565-V567 PolarHBondContact O-N 3.35Å; P565-A568 WeakPolarHBondContact O-CB 3.46Å; P565-A568 PolarHBondContact O-N 3.06Å; P565-A568 VanDerWaalsContact O-N 3.16Å; P565-L569 WeakPolarHBondContact O-CG 3.37Å; P565-L569 PolarHBondContact O-N 3.12Å
566R92.3Very high87.2Confident145 Ų14552.3 Ų52.355%0.54729%0.288SS..Hα-helixtrans-62.4-41.4-179.2-174.1174.7176.9177.8-0.9112.3L562 A563 E564 L569 T570L562-R566 WeakPolarHBondContact O-CB 3.5Å; L562-R566 PolarHBondContact O-N 2.83Å; A563-R566 PolarHBondContact O-N 3.35Å; E564-R566 VanDerWaalsContact C-N 3.31Å; E564-R566 PolarHBondContact O-N 3.46Å; R566-L569 PolarHBondContact O-N 2.94Å; R566-T570 PolarHBondContact O-N 2.83Å; R566-T570 PolarHBondContact O-OG1 3.07Å
567V92.9Very high88.1Confident104 Ų10450.6 Ų50.663%0.6328%0.278SS*.Hα-helixtrans-64.3-42.4174.2172.60000110.7A563 E564 P565 T570 R571A563-V567 WeakPolarHBondContact O-CG2 3.33Å; A563-V567 PolarHBondContact O-N 2.8Å; E564-V567 PolarHBondContact O-N 3.5Å; P565-V567 PolarHBondContact O-N 3.35Å; V567-T570 PolarHBondContact O-N 3.45Å; V567-R571 PolarHBondContact O-N 2.9Å
568A94.6Very high89.5Confident21 Ų2152 Ų5217%0.17427%0.268CS..Hα-helixtrans-63.3-42.1178.400000112.6V431 E564 P565 R571 L572V431-A568 HydrophobicContact CG1-CB 4.25Å; V431-A568 HydrophobicContact CG2-CB 4.22Å; E564-A568 PolarHBondContact O-N 3.28Å; P565-A568 WeakPolarHBondContact O-CB 3.46Å; P565-A568 PolarHBondContact O-N 3.06Å; P565-A568 VanDerWaalsContact O-N 3.16Å; A568-R571 WeakPolarHBondContact O-CB 3.42Å; A568-R571 PolarHBondContact O-N 3.07Å; A568-L572 PolarHBondContact O-N 3.49Å
569L94.9Very high90.8Very high3 Ų346.3 Ų46.32%0.01624%0.237CC..Hα-helixtrans-65.7-37.2174.1-68.5173.4000112.2V431 L476 L477 C480 P565 R566 R571 L572 N573V431-L569 HydrophobicContact CG2-CD2 3.79Å; V431-L569 HydrophobicContact CG2-CG 4.37Å; L476-L569 HydrophobicContact CB-CD2 4.26Å; L476-L569 HydrophobicContact CD1-CD2 4.29Å; L476-L569 HydrophobicContact CD2-CD2 4.38Å; L477-L569 HydrophobicContact CD2-CB 3.82Å; C480-L569 HydrophobicContact CB-CD1 3.81Å; P565-L569 WeakPolarHBondContact O-CG 3.37Å; P565-L569 PolarHBondContact O-N 3.12Å; R566-L569 PolarHBondContact O-N 2.94Å; L569-R571 VanDerWaalsContact C-N 3.32Å; L569-R571 PolarHBondContact O-N 3.25Å; L569-L572 HydrophobicContact CD2-CD2 4.43Å; L569-L572 WeakPolarHBondContact O-CB 3.5Å; L569-L572 PolarHBondContact O-N 2.89Å; L569-N573 PolarHBondContact O-N 3.09Å
570T92.6Very high91.7Very high38 Ų3845.7 Ų45.723%0.23323%0.232CC..Hα-helixtrans-64.4-39.4175.2-53.80000111.1R566 V567 N573 Q574R566-T570 PolarHBondContact O-N 2.83Å; R566-T570 PolarHBondContact O-OG1 3.07Å; V567-T570 PolarHBondContact O-N 3.45Å; T570-N573 WeakPolarHBondContact O-CB 3.46Å; T570-N573 PolarHBondContact O-N 3.4Å; T570-Q574 WeakPolarHBondContact O-CG 3.36Å; T570-Q574 PolarHBondContact O-N 3.28Å
571R93.1Very high92.1Very high141 Ų14142 Ų4253%0.53221%0.206SC..Hα-helixtrans-65.4-38.7173.5-175.6-179.265.4-174-0.4112V567 A568 L569 N573 Q574 Q575V567-R571 PolarHBondContact O-N 2.9Å; A568-R571 WeakPolarHBondContact O-CB 3.42Å; A568-R571 PolarHBondContact O-N 3.07Å; L569-R571 VanDerWaalsContact C-N 3.32Å; L569-R571 PolarHBondContact O-N 3.25Å; R571-N573 VanDerWaalsContact C-N 3.35Å; R571-Q574 WeakPolarHBondContact O-CB 3.43Å; R571-Q574 PolarHBondContact O-N 3.27Å; R571-Q575 PolarHBondContact O-N 3.48Å; R571-Q575 VanDerWaalsContact O-N 3.07Å
572L94.1Very high92.3Very high1 Ų142.5 Ų42.51%0.00521%0.209CC..Hα-helixtrans-61.7-44.5175-171.670.9000111.3F434 S435 L438 L476 A568 L569 Q574 Q575 A576F434-L572 HydrophobicContact CB-CD1 4.2Å; F434-L572 HydrophobicContact CB-CD2 4.02Å; F434-L572 HydrophobicContact CD1-CD1 3.65Å; F434-L572 HydrophobicContact CD1-CD2 3.63Å; F434-L572 HydrophobicContact CD1-CG 3.88Å; F434-L572 HydrophobicContact CD2-CD2 3.99Å; F434-L572 HydrophobicContact CE1-CD1 4.35Å; F434-L572 HydrophobicContact CE1-CD2 4.02Å; F434-L572 HydrophobicContact CE1-CG 4.2Å; F434-L572 HydrophobicContact CE2-CD2 4.36Å; F434-L572 HydrophobicContact CG-CD1 4.16Å; F434-L572 HydrophobicContact CG-CD2 3.62Å; F434-L572 HydrophobicContact CG-CG 4.34Å; F434-L572 HydrophobicContact CZ-CD2 4.36Å; S435-L572 WeakPolarHBondContact OG-CD1 3.35Å; L438-L572 HydrophobicContact CD1-CD1 3.65Å; L438-L572 HydrophobicContact CD1-CG 4.3Å; L476-L572 HydrophobicContact CD1-CD2 4.31Å; A568-L572 PolarHBondContact O-N 3.49Å; L569-L572 HydrophobicContact CD2-CD2 4.43Å; L569-L572 WeakPolarHBondContact O-CB 3.5Å; L569-L572 PolarHBondContact O-N 2.89Å; L572-Q574 VanDerWaalsContact C-N 3.29Å; L572-Q574 PolarHBondContact O-N 2.94Å; L572-Q575 WeakPolarHBondContact O-CB 3.4Å; L572-Q575 PolarHBondContact O-N 3.29Å; L572-Q575 VanDerWaalsContact O-N 3.09Å; L572-A576 PolarHBondContact O-N 2.93Å
573N94Very high92.2Very high0 Ų043 Ų430%021%0.212CC..Hα-helixtrans-58.8-40.4173.8-176.937.6000111.9C473 L477 L569 T570 R571 Q575 A576 N577 A653 G657C473-N573 HydrophobicContact CB-CB 3.89Å; L477-N573 HydrophobicContact CD1-CB 4.33Å; L569-N573 PolarHBondContact O-N 3.09Å; T570-N573 WeakPolarHBondContact O-CB 3.46Å; T570-N573 PolarHBondContact O-N 3.4Å; R571-N573 VanDerWaalsContact C-N 3.35Å; N573-Q575 VanDerWaalsContact C-N 3.33Å; N573-Q575 PolarHBondContact O-N 3.49Å; N573-A576 PolarHBondContact O-N 3.37Å; N573-N577 PolarHBondContact O-N 3.11Å; N573-N577 PolarHBondContact O-ND2 3.25Å; N573-N577 PolarHBondContact OD1-ND2 2.63Å; N573-N577 VanDerWaalsContact OD1-ND2 3.08Å; N573-A653 PolarHBondContact ND2-O 2.85Å; N573-G657 PolarHBondContact ND2-N 3.47Å
574Q92Very high92.1Very high64 Ų6440.9 Ų40.930%0.29920%0.195SC..Hα-helixtrans-61.9-39.4174.2-71.1167.74.800112.4T570 R571 L572 N577 Q578 K658T570-Q574 WeakPolarHBondContact O-CG 3.36Å; T570-Q574 PolarHBondContact O-N 3.28Å; R571-Q574 WeakPolarHBondContact O-CB 3.43Å; R571-Q574 PolarHBondContact O-N 3.27Å; L572-Q574 VanDerWaalsContact C-N 3.29Å; L572-Q574 PolarHBondContact O-N 2.94Å; Q574-N577 PolarHBondContact O-N 3.45Å; Q574-Q578 WeakPolarHBondContact O-CB 3.45Å; Q574-Q578 PolarHBondContact O-N 3.16Å; Q574-K658 HydrophobicContact CG-CB 4.42Å
575Q92.4Very high92Very high67 Ų6735.9 Ų35.931%0.31317%0.171SC..Hα-helixtrans-65.4-38.7175.3-68.3175.2-11.400112.1S435 L438 R571 L572 N573 Q578 L579S435-Q575 PolarHBondContact OG-OE1 3.44Å; L438-Q575 HydrophobicContact CD1-CB 4.08Å; R571-Q575 PolarHBondContact O-N 3.48Å; R571-Q575 VanDerWaalsContact O-N 3.07Å; L572-Q575 WeakPolarHBondContact O-CB 3.4Å; L572-Q575 PolarHBondContact O-N 3.29Å; L572-Q575 VanDerWaalsContact O-N 3.09Å; N573-Q575 VanDerWaalsContact C-N 3.33Å; N573-Q575 PolarHBondContact O-N 3.49Å; Q575-Q578 PolarHBondContact O-N 3.49Å; Q575-L579 WeakPolarHBondContact O-CB 3.45Å; Q575-L579 PolarHBondContact O-N 2.92Å
576A92.8Very high91.7Very high0 Ų036.9 Ų36.90%018%0.176CC..Hα-helixtrans-65.5-41.7174.600000112.2I469 I470 L572 N573 Q578 L579 A580I469-A576 HydrophobicContact CG2-CB 4.03Å; I470-A576 HydrophobicContact CG1-CB 3.92Å; L572-A576 PolarHBondContact O-N 2.93Å; N573-A576 PolarHBondContact O-N 3.37Å; A576-Q578 VanDerWaalsContact C-N 3.35Å; A576-L579 WeakPolarHBondContact O-CB 3.48Å; A576-L579 PolarHBondContact O-N 3.42Å; A576-A580 PolarHBondContact O-N 3.37Å
577N90.6Very high91.3Very high1 Ų131.8 Ų31.81%0.00516%0.159CC..Hα-helixtrans-62.3-41.4173.2-81-88.1000111.7N573 Q574 L579 A580 F581 L659 W679N573-N577 PolarHBondContact O-N 3.11Å; N573-N577 PolarHBondContact O-ND2 3.25Å; N573-N577 PolarHBondContact OD1-ND2 2.63Å; N573-N577 VanDerWaalsContact OD1-ND2 3.08Å; Q574-N577 PolarHBondContact O-N 3.45Å; N577-L579 PolarHBondContact O-N 3.29Å; N577-A580 PolarHBondContact O-N 2.93Å; N577-F581 WeakPolarHBondContact O-CB 3.3Å; N577-F581 PolarHBondContact O-N 3.24Å; N577-L659 HydrophobicContact CB-CD2 4.06Å; N577-W679 HydrophobicContact CB-CZ2 4.42Å; N577-W679 WeakPolarHBondContact O-CH2 3.45Å; N577-W679 WeakPolarHBondContact OD1-CZ2 3.46Å
578Q90.9Very high91Very high93 Ų9326.9 Ų26.944%0.43513%0.129SC..Hα-helixtrans-64.5-39.2175.2-174174.17.700112.2Q574 Q575 A576 F581 D582Q574-Q578 WeakPolarHBondContact O-CB 3.45Å; Q574-Q578 PolarHBondContact O-N 3.16Å; Q575-Q578 PolarHBondContact O-N 3.49Å; A576-Q578 VanDerWaalsContact C-N 3.35Å; Q578-F581 PolarHBondContact O-N 3.09Å; Q578-D582 WeakPolarHBondContact O-CB 3.31Å; Q578-D582 PolarHBondContact O-N 3.2Å
579L90.8Very high90.6Very high5 Ų531 Ų313%0.02614%0.143CC..Hα-helixtrans-60-47.6175-177.473.5000111.7L438 V441 R442 L447 I469 Q575 A576 N577 D582 S583L438-L579 HydrophobicContact CD2-CD2 4.09Å; V441-L579 HydrophobicContact CG1-CD2 4Å; R442-L579 HydrophobicContact CB-CD1 3.63Å; R442-L579 HydrophobicContact CG-CD1 3.82Å; L447-L579 HydrophobicContact CD1-CD1 3.6Å; L447-L579 HydrophobicContact CD1-CG 4.46Å; I469-L579 HydrophobicContact CD1-CD2 4.22Å; Q575-L579 WeakPolarHBondContact O-CB 3.45Å; Q575-L579 PolarHBondContact O-N 2.92Å; A576-L579 WeakPolarHBondContact O-CB 3.48Å; A576-L579 PolarHBondContact O-N 3.42Å; N577-L579 PolarHBondContact O-N 3.29Å; L579-D582 PolarHBondContact O-N 3.43Å; L579-S583 PolarHBondContact O-N 3Å
580A90.7Very high90.1Very high0 Ų032.8 Ų32.80%015%0.151CC..Hα-helixtrans-60.9-45.2176.100000111.6F463 I470 A576 N577 S583 V584 W679F463-A580 HydrophobicContact CD2-CB 4.24Å; F463-A580 HydrophobicContact CE2-CB 4.21Å; I470-A580 HydrophobicContact CD1-CB 3.73Å; A576-A580 PolarHBondContact O-N 3.37Å; N577-A580 PolarHBondContact O-N 2.93Å; A580-S583 PolarHBondContact O-N 3.12Å; A580-S583 PolarHBondContact O-OG 3.28Å; A580-V584 PolarHBondContact O-N 3.12Å; A580-W679 HydrophobicContact CB-CH2 3.57Å; A580-W679 HydrophobicContact CB-CZ2 4.3Å; A580-W679 HydrophobicContact CB-CZ3 4.33Å
581F91.1Very high89.7Confident5 Ų531.8 Ų31.82%0.02214%0.143CC..Hα-helixtrans-58.7-50.6176178.6-86.1000112N577 Q578 S583 V584 F585 P660 F661 W679 S682 I683 A686N577-F581 WeakPolarHBondContact O-CB 3.3Å; N577-F581 PolarHBondContact O-N 3.24Å; Q578-F581 PolarHBondContact O-N 3.09Å; F581-S583 PolarHBondContact O-N 3.36Å; F581-V584 PolarHBondContact O-N 3.08Å; F581-F585 HydrophobicContact CD1-CB 4.21Å; F581-F585 HydrophobicContact CE1-CB 3.85Å; F581-F585 HydrophobicContact CE1-CD1 4.15Å; F581-F585 AromaticContact CE1-CG 3.91Å; F581-F585 HydrophobicContact CE1-CG 3.91Å; F581-F585 HydrophobicContact CZ-CB 4.25Å; F581-F585 HydrophobicContact CZ-CD2 4.28Å; F581-F585 HydrophobicContact CZ-CG 4.11Å; F581-F585 VanDerWaalsContact O-CB 3.28Å; F581-F585 WeakPolarHBondContact O-CB 3.5Å; F581-F585 PolarHBondContact O-N 3.11Å; F581-P660 HydrophobicContact CB-CG 4.5Å; F581-P660 HydrophobicContact CD1-CB 4.4Å; F581-P660 HydrophobicContact CD1-CG 3.81Å; F581-P660 HydrophobicContact CD2-CG 4.26Å; F581-P660 HydrophobicContact CE1-CB 4.16Å; F581-P660 HydrophobicContact CE1-CG 4.07Å; F581-P660 HydrophobicContact CE2-CB 4.4Å; F581-P660 HydrophobicContact CE2-CG 4.48Å; F581-P660 HydrophobicContact CG-CG 3.92Å; F581-P660 HydrophobicContact CZ-CB 4.16Å; F581-P660 HydrophobicContact CZ-CG 4.39Å; F581-F661 AromaticContact CZ-CD2 3.97Å; F581-F661 HydrophobicContact CZ-CD2 3.97Å; F581-F661 HydrophobicContact CZ-CE2 4.17Å; F581-W679 HydrophobicContact CB-CH2 4.22Å; F581-W679 HydrophobicContact CB-CZ3 4.01Å; F581-S682 WeakPolarHBondContact CE2-OG 3.22Å; F581-I683 HydrophobicContact CD2-CG1 3.99Å; F581-I683 HydrophobicContact CE2-CG1 3.87Å; F581-A686 HydrophobicContact CE2-CB 4.23Å; F581-A686 HydrophobicContact CZ-CB 3.56Å
582D90.2Very high89.4Confident30 Ų3025.1 Ų25.116%0.1612%0.118CC..Hα-helixtrans-62.1-32.9-179.1-69.4-28.8000111.6R442 L447 Q578 L579 V584 F585 L586R442-D582 IonicContact CZ-OD2 3.82Å; R442-D582 IonicContact NH1-OD2 3.54Å; R442-D582 PolarHBondContact NH1-OD2 2.93Å; R442-D582 IonicContact NH2-OD2 2.58Å; R442-D582 PolarHBondContact NH2-OD2 3.35Å; L447-D582 HydrophobicContact CD1-CB 4.47Å; Q578-D582 WeakPolarHBondContact O-CB 3.31Å; Q578-D582 PolarHBondContact O-N 3.2Å; L579-D582 PolarHBondContact O-N 3.43Å; D582-V584 PolarHBondContact O-N 2.98Å; D582-F585 PolarHBondContact O-N 3.37Å; D582-L586 VanDerWaalsContact O-CB 3.31Å; D582-L586 WeakPolarHBondContact O-CB 3.26Å; D582-L586 PolarHBondContact O-N 3.06Å
583S88.8Confident88.8Confident10 Ų1026.9 Ų26.97%0.0713%0.131CC..Hα-helixtrans-64-38.617876.30000113.8F463 L579 A580 F581F463-S583 WeakPolarHBondContact CA-OG 3.37Å; L579-S583 PolarHBondContact O-N 3Å; A580-S583 PolarHBondContact O-N 3.12Å; A580-S583 PolarHBondContact O-OG 3.28Å; F581-S583 PolarHBondContact O-N 3.36Å
584V89.6Confident88Confident1 Ų130.8 Ų30.81%0.00615%0.151CC..Hα-helixtrans-79.2-43.7176.3-178.20000110W460 F463 A580 F581 D582 L586 Y631 L635 I683W460-V584 HydrophobicContact CH2-CG1 4.37Å; W460-V584 HydrophobicContact CZ3-CG1 4.21Å; W460-V584 HydrophobicContact CZ3-CG2 4Å; F463-V584 HydrophobicContact CB-CG2 4.09Å; F463-V584 HydrophobicContact CD1-CG2 4.49Å; F463-V584 HydrophobicContact CD2-CG2 3.27Å; F463-V584 HydrophobicContact CE2-CG2 3.75Å; F463-V584 HydrophobicContact CG-CG2 3.7Å; A580-V584 PolarHBondContact O-N 3.12Å; F581-V584 PolarHBondContact O-N 3.08Å; D582-V584 PolarHBondContact O-N 2.98Å; V584-L586 VanDerWaalsContact C-N 3.31Å; V584-L586 PolarHBondContact O-N 3.26Å; V584-Y631 HydrophobicContact CG1-CE1 3.74Å; V584-L635 HydrophobicContact CG1-CD1 4.18Å; V584-I683 HydrophobicContact CB-CD1 4.23Å; V584-I683 HydrophobicContact CG1-CD1 3.94Å; V584-I683 HydrophobicContact CG1-CG2 4.47Å
585F89.8Confident87.4Confident18 Ų1827.8 Ų27.88%0.07914%0.137CC..Hα-helixtrans-71.3-25.2-171.7-166-110.9000113.7F581 D582 Q587 I588 K589 A686 T690F581-F585 HydrophobicContact CD1-CB 4.21Å; F581-F585 HydrophobicContact CE1-CB 3.85Å; F581-F585 HydrophobicContact CE1-CD1 4.15Å; F581-F585 AromaticContact CE1-CG 3.91Å; F581-F585 HydrophobicContact CE1-CG 3.91Å; F581-F585 HydrophobicContact CZ-CB 4.25Å; F581-F585 HydrophobicContact CZ-CD2 4.28Å; F581-F585 HydrophobicContact CZ-CG 4.11Å; F581-F585 VanDerWaalsContact O-CB 3.28Å; F581-F585 WeakPolarHBondContact O-CB 3.5Å; F581-F585 PolarHBondContact O-N 3.11Å; D582-F585 PolarHBondContact O-N 3.37Å; F585-Q587 VanDerWaalsContact C-N 3.33Å; F585-Q587 PolarHBondContact O-N 3.11Å; F585-I588 HydrophobicContact CD2-CB 4.36Å; F585-I588 HydrophobicContact CD2-CD1 4.33Å; F585-I588 HydrophobicContact CE2-CB 4.37Å; F585-I588 HydrophobicContact CE2-CG2 4.13Å; F585-I588 PolarHBondContact O-N 2.77Å; F585-K589 HydrophobicContact CD1-CB 4.44Å; F585-K589 HydrophobicContact CE1-CB 4.22Å; F585-K589 WeakPolarHBondContact O-CB 3.45Å; F585-K589 PolarHBondContact O-N 3.4Å; F585-A686 HydrophobicContact CD2-CB 3.98Å; F585-A686 HydrophobicContact CE2-CB 3.58Å; F585-A686 HydrophobicContact CZ-CB 3.98Å; F585-T690 HydrophobicContact CZ-CG2 4.23Å; F585-T690 VanDerWaalsContact CZ-OG1 3.27Å; F585-T690 WeakPolarHBondContact CZ-OG1 3.3Å
586L87.1Confident86.3Confident27 Ų2726.4 Ų26.414%0.14114%0.135CC..Hα-helixtrans-56.9-44-179.9-175.468000112.8L447 D582 V584 I588 K589 H590L447-L586 HydrophobicContact CD2-CD2 3.84Å; D582-L586 VanDerWaalsContact O-CB 3.31Å; D582-L586 WeakPolarHBondContact O-CB 3.26Å; D582-L586 PolarHBondContact O-N 3.06Å; V584-L586 VanDerWaalsContact C-N 3.31Å; V584-L586 PolarHBondContact O-N 3.26Å; L586-I588 VanDerWaalsContact C-N 3.34Å; L586-I588 PolarHBondContact O-N 3.34Å; L586-K589 PolarHBondContact O-N 3.06Å; L586-H590 WeakPolarHBondContact CD1-NE2 3.41Å; L586-H590 PolarHBondContact O-N 3.26Å
587Q83.8Confident85Confident39 Ų3932.6 Ų32.618%0.18216%0.162CC..Hα-helixtrans-64.7-41-179.2-63-57.4-24.200111.6F456 F585 H590 Q591 Y631F456-Q587 HydrophobicContact CE2-CB 4.05Å; F585-Q587 VanDerWaalsContact C-N 3.33Å; F585-Q587 PolarHBondContact O-N 3.11Å; Q587-H590 PolarHBondContact O-N 2.96Å; Q587-Q591 PolarHBondContact O-N 3.25Å; Q587-Y631 HydrophobicContact CB-CE1 4.37Å
588I87.8Confident83.5Confident1 Ų136 Ų361%0.00518%0.178CC..Hα-helixtrans-63.5-47.1175.8-60.2173.9000109.9F585 L586 H590 Q591 L592 I628 Y631 I632 I683 T687F585-I588 HydrophobicContact CD2-CB 4.36Å; F585-I588 HydrophobicContact CD2-CD1 4.33Å; F585-I588 HydrophobicContact CE2-CB 4.37Å; F585-I588 HydrophobicContact CE2-CG2 4.13Å; F585-I588 PolarHBondContact O-N 2.77Å; L586-I588 VanDerWaalsContact C-N 3.34Å; L586-I588 PolarHBondContact O-N 3.34Å; I588-H590 VanDerWaalsContact C-N 3.32Å; I588-H590 PolarHBondContact O-N 3.4Å; I588-Q591 PolarHBondContact O-N 3.22Å; I588-L592 HydrophobicContact CG2-CD1 3.85Å; I588-L592 HydrophobicContact CG2-CG 4.29Å; I588-L592 WeakPolarHBondContact O-CG 3.18Å; I588-L592 PolarHBondContact O-N 3.43Å; I588-I628 HydrophobicContact CG2-CD1 4.39Å; I588-I628 HydrophobicContact CG2-CG1 4.35Å; I588-I628 HydrophobicContact CG2-CG2 4.21Å; I588-Y631 HydrophobicContact CD1-CD1 4.17Å; I588-Y631 HydrophobicContact CD1-CE1 4.3Å; I588-Y631 HydrophobicContact CG1-CD1 3.88Å; I588-Y631 HydrophobicContact CG1-CE1 4.1Å; I588-I632 HydrophobicContact CD1-CD1 4.14Å; I588-I632 HydrophobicContact CD1-CG1 3.98Å; I588-I683 HydrophobicContact CD1-CG2 3.86Å; I588-T687 HydrophobicContact CG2-CG2 3.72Å
589K86.3Confident81.6Confident107 Ų10736.1 Ų36.147%0.46518%0.179SC..Hα-helixtrans-59.8-41.4178.8-172.3179.7179.4-177.40112F585 L586 L592 C593F585-K589 HydrophobicContact CD1-CB 4.44Å; F585-K589 HydrophobicContact CE1-CB 4.22Å; F585-K589 WeakPolarHBondContact O-CB 3.45Å; F585-K589 PolarHBondContact O-N 3.4Å; L586-K589 PolarHBondContact O-N 3.06Å; K589-L592 PolarHBondContact O-N 2.93Å; K589-C593 PolarHBondContact O-N 3.45Å; K589-C593 PolarHBondContact O-SG 2.87Å
590H84.4Confident79.4Confident40 Ų4040.8 Ų40.819%0.18521%0.212CC..Hα-helixtrans-61-43.4176.3-73178000112.6L586 Q587 I588 C593L586-H590 WeakPolarHBondContact CD1-NE2 3.41Å; L586-H590 PolarHBondContact O-N 3.26Å; Q587-H590 PolarHBondContact O-N 2.96Å; I588-H590 VanDerWaalsContact C-N 3.32Å; I588-H590 PolarHBondContact O-N 3.4Å; H590-C593 PolarHBondContact O-N 3.38Å
591Q83.6Confident77.1Confident17 Ų1752 Ų528%0.07925%0.254CS..Hα-helixtrans-66.2-43.4176.1-67.9-59.1-46.100111.9F456 Q587 I588 C593 L594 I628F456-Q591 HydrophobicContact CD2-CG 3.6Å; F456-Q591 HydrophobicContact CE2-CG 3.85Å; Q587-Q591 PolarHBondContact O-N 3.25Å; I588-Q591 PolarHBondContact O-N 3.22Å; Q591-C593 VanDerWaalsContact C-N 3.31Å; Q591-C593 PolarHBondContact O-N 3.1Å; Q591-L594 VanDerWaalsContact O-CB 3.3Å; Q591-L594 WeakPolarHBondContact O-CB 3.42Å; Q591-L594 PolarHBondContact O-N 2.98Å; Q591-L594 VanDerWaalsContact O-N 3.08Å; Q591-I628 HydrophobicContact CB-CD1 3.75Å; Q591-I628 HydrophobicContact CB-CG1 3.78Å; Q591-I628 HydrophobicContact CG-CG1 4.29Å
592L86.2Confident74.9Confident1 Ų158.8 Ų58.81%0.00529%0.291CS..Hα-helixtrans-66.3-30.4178.3-67.6177.5000113I588 K589 L594 V595 I628 T687 T690 Y691I588-L592 HydrophobicContact CG2-CD1 3.85Å; I588-L592 HydrophobicContact CG2-CG 4.29Å; I588-L592 WeakPolarHBondContact O-CG 3.18Å; I588-L592 PolarHBondContact O-N 3.43Å; K589-L592 PolarHBondContact O-N 2.93Å; L592-L594 PolarHBondContact O-N 2.84Å; L592-V595 VanDerWaalsContact O-CB 3.3Å; L592-V595 WeakPolarHBondContact O-CB 3.42Å; L592-V595 WeakPolarHBondContact O-CG2 3.39Å; L592-V595 PolarHBondContact O-N 3.27Å; L592-V595 VanDerWaalsContact O-N 3.14Å; L592-I628 HydrophobicContact CD2-CD1 3.45Å; L592-I628 VanDerWaalsContact CD2-CD1 3.45Å; L592-I628 HydrophobicContact CG-CD1 3.67Å; L592-T687 HydrophobicContact CD1-CG2 4.47Å; L592-T690 HydrophobicContact CB-CG2 4.47Å; L592-T690 HydrophobicContact CD1-CG2 3.77Å; L592-Y691 HydrophobicContact CD2-CD2 3.53Å; L592-Y691 HydrophobicContact CD2-CE2 4.29Å; L592-Y691 HydrophobicContact CD2-CG 3.85Å
593C81.4Confident72.5Confident39 Ų3962.2 Ų62.226%0.26432%0.324SS..THydrogen-bonded Turntrans-65.7-15.4172.8-76.40000114K589 H590 Q591 V595 S596K589-C593 PolarHBondContact O-N 3.45Å; K589-C593 PolarHBondContact O-SG 2.87Å; H590-C593 PolarHBondContact O-N 3.38Å; Q591-C593 VanDerWaalsContact C-N 3.31Å; Q591-C593 PolarHBondContact O-N 3.1Å; C593-V595 VanDerWaalsContact C-N 3.31Å; C593-S596 PolarHBondContact O-OG 3.48Å
594L78.3Confident70.2Confident82 Ų8265.5 Ų65.543%0.42936%0.359SS..THydrogen-bonded Turntrans-74.2-25.1173.8-59.6174.6000111.8Q591 L592 K597Q591-L594 VanDerWaalsContact O-CB 3.3Å; Q591-L594 WeakPolarHBondContact O-CB 3.42Å; Q591-L594 PolarHBondContact O-N 2.98Å; Q591-L594 VanDerWaalsContact O-N 3.08Å; L592-L594 PolarHBondContact O-N 2.84Å; L594-K597 PolarHBondContact O-N 2.91Å; L594-K597 VanDerWaalsContact O-N 3.16Å
595V78.9Confident67.6Low0 Ų068.5 Ų68.50%039%0.39CS..G310 helixtrans-63.2-44.8-178.3-179.90000111.4L592 C593 K597 M598 Y624 Y691 A694 I698L592-V595 VanDerWaalsContact O-CB 3.3Å; L592-V595 WeakPolarHBondContact O-CB 3.42Å; L592-V595 WeakPolarHBondContact O-CG2 3.39Å; L592-V595 PolarHBondContact O-N 3.27Å; L592-V595 VanDerWaalsContact O-N 3.14Å; C593-V595 VanDerWaalsContact C-N 3.31Å; V595-K597 PolarHBondContact O-N 3.02Å; V595-M598 WeakPolarHBondContact O-CB 3.27Å; V595-M598 PolarHBondContact O-N 2.92Å; V595-Y624 HydrophobicContact CG2-CD2 3.64Å; V595-Y624 HydrophobicContact CG2-CE1 4.37Å; V595-Y624 HydrophobicContact CG2-CE2 3.28Å; V595-Y624 HydrophobicContact CG2-CG 4.34Å; V595-Y691 HydrophobicContact CG1-CE2 4.43Å; V595-Y691 HydrophobicContact CG2-CE2 4.15Å; V595-A694 HydrophobicContact CB-CB 4.47Å; V595-I698 HydrophobicContact CG1-CD1 3.98Å; V595-I698 HydrophobicContact CG1-CG1 4.44Å
596S68.5Low65Low39 Ų3978.6 Ų78.627%0.27343%0.434SS..G310 helixtrans-71.1-9178.658.60000114C593C593-S596 PolarHBondContact O-OG 3.48Å
597K65.9Low62.9Low130 Ų13079.6 Ų79.657%0.56545%0.451SS*.G310 helixtrans-103.57.2178.4-62.7-179.9-177.6175.70113.5L594 V595 E599L594-K597 PolarHBondContact O-N 2.91Å; L594-K597 VanDerWaalsContact O-N 3.16Å; V595-K597 PolarHBondContact O-N 3.02Å; K597-E599 PolarHBondContact O-N 3.41Å; K597-E599 VanDerWaalsContact O-N 3.13Å
598M59Low60.8Low71 Ų7186.2 Ų86.235%0.3548%0.482SS..  trans-60.7-20.2-175.3-90.1-172.2177.900115V595 S600 Q622 Y624V595-M598 WeakPolarHBondContact O-CB 3.27Å; V595-M598 PolarHBondContact O-N 2.92Å; M598-S600 PolarHBondContact O-N 2.87Å; M598-Q622 VanDerWaalsContact CE-CD 3.5Å; M598-Y624 HydrophobicContact CE-CD1 4.03Å; M598-Y624 HydrophobicContact CE-CE1 3.48Å; M598-Y624 VanDerWaalsContact CE-CE1 3.48Å
599E50.6Low58.5Low96 Ų9691.5 Ų91.545%0.44952%0.519SS..THydrogen-bonded Turntrans-7788.4173.1-76.4-179.4-163.500111.3K597 P699 E700K597-E599 PolarHBondContact O-N 3.41Å; K597-E599 VanDerWaalsContact O-N 3.13Å; E599-P699 WeakPolarHBondContact OE1-CB 3.35Å; E599-P699 WeakPolarHBondContact OE1-CD 3.29Å; E599-P699 WeakPolarHBondContact OE2-CB 3.46Å; E599-P699 VanDerWaalsContact OE2-CG 3.31Å; E599-P699 WeakPolarHBondContact OE2-CG 3.4Å; E599-E700 VanDerWaalsContact OE1-CA 3.31Å; E599-E700 WeakPolarHBondContact OE1-CA 3.45Å; E599-E700 WeakPolarHBondContact OE1-CB 3.49Å; E599-E700 PolarHBondContact OE1-N 2.53Å
600S45.9Very low56.5Low104 Ų10496.3 Ų96.373%0.72754%0.535SS*.THydrogen-bonded Turntrans175.6-10.2151.141.70000114.4M598M598-S600 PolarHBondContact O-N 2.87Å
601R42.6Very low54.7Low235 Ų23596.6 Ų96.689%0.88754%0.544SS*.SBendtrans-84.2-24.4-172.2-130.6173.7-172.9172.50.2115.5
602D43.8Very low52.9Low148 Ų148103.1 Ų103.179%0.79158%0.575SS**SBendtrans-120.59.6-173.6-73.6-28.9000115.9G604D602-G604 PolarHBondContact O-N 2.95Å
603A39.9Very low51Low102 Ų102110.8 Ų110.884%0.84362%0.616SS**SBendtrans-76.516.417600000114.1
604G41Very low49.5Very low79 Ų79113.5 Ų113.581%0.81463%0.627SS**SBendtrans-146.453.6-169.300000114.7D602D602-G604 PolarHBondContact O-N 2.95Å
605G34.2Very low48.2Very low63 Ų63113.5 Ų113.565%0.64963%0.632SS**SBendtrans-165.595.117300000113.7G607G605-G607 PolarHBondContact O-N 3.36Å; G605-G607 VanDerWaalsContact O-N 3.07Å
606F36.5Very low46.9Very low231 Ų231117.8 Ų117.8100%1.01366%0.659SS**SBendtrans-3.592.2163.5-74.9-94.1000116.1
607G42.2Very low46Very low47 Ų47125.7 Ų125.749%0.48569%0.688SS.*  trans-176.32.5176.500000118.3G605 S609G605-G607 PolarHBondContact O-N 3.36Å; G605-G607 VanDerWaalsContact O-N 3.07Å; G607-S609 PolarHBondContact O-N 3.39Å; G607-S609 VanDerWaalsContact O-N 3.09Å
608E40.8Very low45.6Very low179 Ų179122.9 Ų122.984%0.83669%0.685SS**THydrogen-bonded Turntrans-69.4-7.6-170.8-75.7-175.515200115.7
609S39.3Very low46.3Very low112 Ų112121.3 Ų121.378%0.78368%0.678SS**THydrogen-bonded Turntrans-93.4-3.3-177-130.50000115.8G607G607-S609 PolarHBondContact O-N 3.39Å; G607-S609 VanDerWaalsContact O-N 3.09Å
610Y43.9Very low47.8Very low208 Ų208120.9 Ų120.982%0.81669%0.686SS**SBendtrans-124.50.9-175.5-66.1-76.9000114.9
611A46.9Very low49.7Very low45 Ų45118 Ų11837%0.37266%0.664SS.*  trans-97.2-5.9-171.800000115.3D613A611-D613 VanDerWaalsContact C-N 3.33Å; A611-D613 PolarHBondContact O-N 3.04Å
612E45.8Very low51.7Low155 Ų155110.1 Ų110.172%0.72464%0.638SS**THydrogen-bonded Turntrans-70.3-27.5-176-73.4-171143.500113.4K707E612-K707 PolarHBondContact O-NZ 3.06Å; E612-K707 VanDerWaalsContact O-NZ 3.15Å
613D45.9Very low53.7Low161 Ų161110.1 Ų110.186%0.86163%0.633SS**THydrogen-bonded Turntrans-109.116.5-171.1-92.7-15.2000115.8A611A611-D613 VanDerWaalsContact C-N 3.33Å; A611-D613 PolarHBondContact O-N 3.04Å
614L48.9Very low56Low96 Ų96105.9 Ų105.950%0.50360%0.595SS.*  trans-77.3130.9171.4-84.9125.3000111.5
615P52Low58.2Low82 Ų82102.1 Ų102.153%0.53256%0.556SS.*  trans-65.6148.917825.2-31.6000111.5F617 S618P615-F617 PolarHBondContact O-N 2.92Å; P615-S618 PolarHBondContact O-N 3.28Å; P615-S618 PolarHBondContact O-OG 2.64Å
616T50.5Low60.9Low91 Ų91100.6 Ų100.656%0.55853%0.534SS*.G310 helixtrans-54.3-18.4-178.7-60000114.5S618T616-S618 PolarHBondContact O-N 3.5Å
617F50Low63.3Low204 Ų20490.8 Ų90.890%0.89549%0.493SS*.G310 helixtrans-70.5-5.6179-71.5-80.1000115.2P615P615-F617 PolarHBondContact O-N 2.92Å
618S57.6Low65.6Low72 Ų7288.6 Ų88.650%0.50347%0.47SS..G310 helixtrans-99.9-1.4177.847.60000115P615 T616P615-S618 PolarHBondContact O-N 3.28Å; P615-S618 PolarHBondContact O-OG 2.64Å; T616-S618 PolarHBondContact O-N 3.5Å
619L73.1Confident67.9Low38 Ų3880 Ų8020%0.19943%0.43CS..PPolyproline II helixtrans-97.5127.1179.3-62.2175000110.7K707 T711L619-K707 HydrophobicContact CD1-CB 3.74Å; L619-T711 HydrophobicContact CB-CG2 4.4Å
620S82.4Confident70.2Confident87 Ų8780 Ų8061%0.60842%0.417SS*.PPolyproline II helixtrans-97.3148.5170.956.40000110.4Q708S620-Q708 PolarHBondContact O-NE2 3.33Å
621P85.8Confident72.4Confident43 Ų4370.2 Ų70.228%0.27938%0.379SS..PPolyproline II helixtrans-56.2141.1172.9-22.333000111.3I625 T626 D712 Y715P621-I625 HydrophobicContact CB-CG2 3.84Å; P621-T626 HydrophobicContact CB-CG2 3.78Å; P621-D712 WeakPolarHBondContact CA-OD1 3.47Å; P621-Y715 HydrophobicContact CB-CD1 4.42Å; P621-Y715 HydrophobicContact CB-CD2 4.24Å; P621-Y715 HydrophobicContact CB-CG 3.93Å; P621-Y715 HydrophobicContact CG-CD2 3.8Å; P621-Y715 HydrophobicContact CG-CG 3.85Å
622Q86.2Confident74.4Confident69 Ų6968.1 Ų68.132%0.32236%0.362SS..PPolyproline II helixtrans-74.6159-179-65.3-159.10.600113.4M598 Y624 I625 T626 Q708 D712M598-Q622 VanDerWaalsContact CE-CD 3.5Å; Q622-Y624 VanDerWaalsContact C-N 3.28Å; Q622-Y624 HydrophobicContact CB-CD1 3.61Å; Q622-Y624 HydrophobicContact CB-CE1 3.56Å; Q622-Y624 HydrophobicContact CG-CE1 4.19Å; Q622-Y624 PolarHBondContact O-N 3.39Å; Q622-I625 VanDerWaalsContact O-CG2 3.27Å; Q622-I625 WeakPolarHBondContact O-CG2 3.4Å; Q622-I625 PolarHBondContact O-N 3.45Å; Q622-I625 VanDerWaalsContact O-N 3.08Å; Q622-T626 PolarHBondContact O-N 3.32Å; Q622-T626 VanDerWaalsContact O-N 3.08Å; Q622-T626 PolarHBondContact O-OG1 2.86Å; Q622-Q708 HydrophobicContact CG-CG 3.96Å; Q622-D712 PolarHBondContact N-OD1 2.72Å
623E84.9Confident76.5Confident149 Ų14964.9 Ų64.970%0.69635%0.348SS*.Hα-helixtrans-54.8-39-175.7-168.3179176.800113.4I625 T626 N627E623-I625 VanDerWaalsContact C-N 3.34Å; E623-I625 PolarHBondContact O-N 2.93Å; E623-T626 WeakPolarHBondContact CA-OG1 3.3Å; E623-T626 PolarHBondContact O-N 3.49Å; E623-T626 PolarHBondContact O-OG1 2.98Å; E623-N627 VanDerWaalsContact O-CB 3.29Å; E623-N627 WeakPolarHBondContact O-CB 3.38Å; E623-N627 PolarHBondContact O-N 3.12Å; E623-N627 PolarHBondContact O-ND2 2.92Å; E623-N627 PolarHBondContact O-OD1 2.88Å
624Y87.6Confident78.5Confident12 Ų1258.3 Ų58.35%0.04731%0.314CS..Hα-helixtrans-62-40.4-179.979.2-88.4000112.3V595 M598 Q622 I628 Y691 D712V595-Y624 HydrophobicContact CG2-CD2 3.64Å; V595-Y624 HydrophobicContact CG2-CE1 4.37Å; V595-Y624 HydrophobicContact CG2-CE2 3.28Å; V595-Y624 HydrophobicContact CG2-CG 4.34Å; M598-Y624 HydrophobicContact CE-CD1 4.03Å; M598-Y624 HydrophobicContact CE-CE1 3.48Å; M598-Y624 VanDerWaalsContact CE-CE1 3.48Å; Q622-Y624 VanDerWaalsContact C-N 3.28Å; Q622-Y624 HydrophobicContact CB-CD1 3.61Å; Q622-Y624 HydrophobicContact CB-CE1 3.56Å; Q622-Y624 HydrophobicContact CG-CE1 4.19Å; Q622-Y624 PolarHBondContact O-N 3.39Å; Y624-I628 HydrophobicContact CD2-CD1 4.47Å; Y624-I628 WeakPolarHBondContact O-CD1 3.48Å; Y624-I628 VanDerWaalsContact O-CG1 3.27Å; Y624-I628 WeakPolarHBondContact O-CG1 3.44Å; Y624-I628 PolarHBondContact O-N 3.2Å; Y624-Y691 AromaticContact CE2-CE2 3.94Å; Y624-Y691 HydrophobicContact CE2-CE2 3.94Å; Y624-Y691 PolarHBondContact OH-OH 3.17Å; Y624-D712 VanDerWaalsContact CE1-OD2 3.31Å; Y624-D712 WeakPolarHBondContact CE1-OD2 3.42Å; Y624-D712 WeakPolarHBondContact OH-CB 3.4Å; Y624-D712 PolarHBondContact OH-OD2 3.43Å
625I88.8Confident80.4Confident0 Ų053.8 Ų53.80%029%0.291CS..Hα-helixtrans-83-32.4-176.4-15962.6000111.3P621 Q622 E623 I628 G629 Y691 D712 Y715 L716P621-I625 HydrophobicContact CB-CG2 3.84Å; Q622-I625 VanDerWaalsContact O-CG2 3.27Å; Q622-I625 WeakPolarHBondContact O-CG2 3.4Å; Q622-I625 PolarHBondContact O-N 3.45Å; Q622-I625 VanDerWaalsContact O-N 3.08Å; E623-I625 VanDerWaalsContact C-N 3.34Å; E623-I625 PolarHBondContact O-N 2.93Å; I625-I628 HydrophobicContact CD1-CD1 4.27Å; I625-I628 PolarHBondContact O-N 3.37Å; I625-G629 PolarHBondContact O-N 3.4Å; I625-Y691 HydrophobicContact CD1-CE1 4.08Å; I625-D712 HydrophobicContact CB-CB 4.31Å; I625-D712 HydrophobicContact CG1-CB 4.38Å; I625-D712 HydrophobicContact CG2-CB 3.83Å; I625-Y715 HydrophobicContact CG1-CD1 4.18Å; I625-Y715 HydrophobicContact CG2-CD1 4.13Å; I625-Y715 WeakPolarHBondContact O-CE1 3.33Å; I625-L716 HydrophobicContact CD1-CB 4.07Å; I625-L716 HydrophobicContact CD1-CD1 4.16Å; I625-L716 HydrophobicContact CD1-CD2 4.22Å; I625-L716 HydrophobicContact CD1-CG 4.38Å; I625-L716 HydrophobicContact CG1-CB 4.21Å
626T89.3Confident82.1Confident31 Ų3152.3 Ų52.319%0.1928%0.281CS..Hα-helixtrans-67-38.9172.855.90000111.9P621 Q622 E623 G629 Q630 Y715P621-T626 HydrophobicContact CB-CG2 3.78Å; Q622-T626 PolarHBondContact O-N 3.32Å; Q622-T626 VanDerWaalsContact O-N 3.08Å; Q622-T626 PolarHBondContact O-OG1 2.86Å; E623-T626 WeakPolarHBondContact CA-OG1 3.3Å; E623-T626 PolarHBondContact O-N 3.49Å; E623-T626 PolarHBondContact O-OG1 2.98Å; T626-G629 PolarHBondContact O-N 2.91Å; T626-Q630 WeakPolarHBondContact O-CB 3.27Å; T626-Q630 WeakPolarHBondContact O-CG 3.39Å; T626-Q630 PolarHBondContact O-N 2.88Å; T626-Y715 HydrophobicContact CG2-CE1 4.24Å
627N88.4Confident83.7Confident26 Ų2653.7 Ų53.714%0.13928%0.284CS..Hα-helixtrans-64.1-43.7175.5-69.9-11.9000111.3F456 E623 Y631F456-N627 HydrophobicContact CD1-CB 4.1Å; F456-N627 HydrophobicContact CD2-CB 4.48Å; F456-N627 HydrophobicContact CE1-CB 4.16Å; F456-N627 HydrophobicContact CG-CB 4.27Å; F456-N627 HydrophobicContact CZ-CB 4.37Å; E623-N627 VanDerWaalsContact O-CB 3.29Å; E623-N627 WeakPolarHBondContact O-CB 3.38Å; E623-N627 PolarHBondContact O-N 3.12Å; E623-N627 PolarHBondContact O-ND2 2.92Å; E623-N627 PolarHBondContact O-OD1 2.88Å; N627-Y631 VanDerWaalsContact O-CB 3.27Å; N627-Y631 WeakPolarHBondContact O-CB 3.44Å; N627-Y631 PolarHBondContact O-N 2.84Å
628I89.4Confident85.3Confident0 Ų046.6 Ų46.60%025%0.253CS..Hα-helixtrans-60.5-46.4173.6-68.5166.2000110.6I588 Q591 L592 Y624 I625 Y631 I632 T687 L716I588-I628 HydrophobicContact CG2-CD1 4.39Å; I588-I628 HydrophobicContact CG2-CG1 4.35Å; I588-I628 HydrophobicContact CG2-CG2 4.21Å; Q591-I628 HydrophobicContact CB-CD1 3.75Å; Q591-I628 HydrophobicContact CB-CG1 3.78Å; Q591-I628 HydrophobicContact CG-CG1 4.29Å; L592-I628 HydrophobicContact CD2-CD1 3.45Å; L592-I628 VanDerWaalsContact CD2-CD1 3.45Å; L592-I628 HydrophobicContact CG-CD1 3.67Å; Y624-I628 HydrophobicContact CD2-CD1 4.47Å; Y624-I628 WeakPolarHBondContact O-CD1 3.48Å; Y624-I628 VanDerWaalsContact O-CG1 3.27Å; Y624-I628 WeakPolarHBondContact O-CG1 3.44Å; Y624-I628 PolarHBondContact O-N 3.2Å; I625-I628 HydrophobicContact CD1-CD1 4.27Å; I625-I628 PolarHBondContact O-N 3.37Å; I628-Y631 PolarHBondContact O-N 2.72Å; I628-I632 HydrophobicContact CG2-CD1 3.71Å; I628-I632 HydrophobicContact CG2-CG1 4.33Å; I628-I632 WeakPolarHBondContact O-CG1 3.5Å; I628-I632 PolarHBondContact O-N 2.68Å; I628-T687 HydrophobicContact CG2-CG2 3.87Å; I628-L716 HydrophobicContact CG2-CD1 4.26Å
629G88.4Confident86.5Confident0 Ų043.3 Ų43.30%023%0.231CC..Hα-helixtrans-60-47.9179.900000112.7I625 T626 Y631 I632 M633I625-G629 PolarHBondContact O-N 3.4Å; T626-G629 PolarHBondContact O-N 2.91Å; G629-Y631 VanDerWaalsContact C-N 3.35Å; G629-Y631 PolarHBondContact O-N 3.48Å; G629-I632 PolarHBondContact O-N 3.41Å; G629-M633 WeakPolarHBondContact O-CB 3.41Å; G629-M633 WeakPolarHBondContact O-CG 3.5Å; G629-M633 PolarHBondContact O-N 3.18Å
630Q88.9Confident86.8Confident111 Ų11146.7 Ų46.752%0.51925%0.245SC..Hα-helixtrans-62.5-40.5177.4-71.8175.51.700112.3T626 M633 S634T626-Q630 WeakPolarHBondContact O-CB 3.27Å; T626-Q630 WeakPolarHBondContact O-CG 3.39Å; T626-Q630 PolarHBondContact O-N 2.88Å; Q630-M633 PolarHBondContact O-N 3.34Å; Q630-S634 PolarHBondContact O-N 3.14Å
631Y89.6Confident86.2Confident3 Ų344.6 Ų44.61%0.01223%0.229CC..Hα-helixtrans-68-41.8179.4-175.6-109.6000113.4F456 E458 W460 V584 Q587 I588 N627 I628 G629 M633 S634 L635F456-Y631 AromaticContact CZ-CD2 4Å; F456-Y631 HydrophobicContact CZ-CD2 4Å; F456-Y631 AromaticContact CZ-CG 3.86Å; F456-Y631 HydrophobicContact CZ-CG 3.86Å; E458-Y631 HydrophobicContact CG-CD2 4.27Å; W460-Y631 HydrophobicContact CD2-CE2 4.46Å; W460-Y631 AromaticContact CE2-CE2 3.64Å; W460-Y631 HydrophobicContact CH2-CD2 4.33Å; W460-Y631 HydrophobicContact CH2-CE1 4.21Å; W460-Y631 AromaticContact CH2-CE2 3.63Å; W460-Y631 HydrophobicContact CH2-CE2 3.63Å; W460-Y631 AromaticContact CH2-CZ 3.55Å; W460-Y631 AromaticContact CZ2-CD2 3.71Å; W460-Y631 HydrophobicContact CZ2-CD2 3.71Å; W460-Y631 AromaticContact CZ2-CE2 3.18Å; W460-Y631 HydrophobicContact CZ2-CE2 3.18Å; W460-Y631 AromaticContact CZ2-CZ 3.65Å; W460-Y631 HydrophobicContact CZ3-CE2 4.42Å; V584-Y631 HydrophobicContact CG1-CE1 3.74Å; Q587-Y631 HydrophobicContact CB-CE1 4.37Å; I588-Y631 HydrophobicContact CD1-CD1 4.17Å; I588-Y631 HydrophobicContact CD1-CE1 4.3Å; I588-Y631 HydrophobicContact CG1-CD1 3.88Å; I588-Y631 HydrophobicContact CG1-CE1 4.1Å; N627-Y631 VanDerWaalsContact O-CB 3.27Å; N627-Y631 WeakPolarHBondContact O-CB 3.44Å; N627-Y631 PolarHBondContact O-N 2.84Å; I628-Y631 PolarHBondContact O-N 2.72Å; G629-Y631 VanDerWaalsContact C-N 3.35Å; G629-Y631 PolarHBondContact O-N 3.48Å; Y631-M633 VanDerWaalsContact C-N 3.3Å; Y631-M633 PolarHBondContact O-N 3.4Å; Y631-S634 PolarHBondContact O-N 3.33Å; Y631-S634 PolarHBondContact O-OG 3.12Å; Y631-L635 PolarHBondContact O-N 3.45Å
632I89.9Confident85.6Confident1 Ų143.3 Ų43.31%0.00522%0.22CC..Hα-helixtrans-68.4-33.9175-63176000110.3I588 I628 G629 S634 L635 P636 L680 T687 M720 L723I588-I632 HydrophobicContact CD1-CD1 4.14Å; I588-I632 HydrophobicContact CD1-CG1 3.98Å; I628-I632 HydrophobicContact CG2-CD1 3.71Å; I628-I632 HydrophobicContact CG2-CG1 4.33Å; I628-I632 WeakPolarHBondContact O-CG1 3.5Å; I628-I632 PolarHBondContact O-N 2.68Å; G629-I632 PolarHBondContact O-N 3.41Å; I632-S634 VanDerWaalsContact C-N 3.31Å; I632-S634 PolarHBondContact O-N 3.12Å; I632-L635 WeakPolarHBondContact O-CB 3.38Å; I632-L635 PolarHBondContact O-N 3.4Å; I632-P636 VanDerWaalsContact O-CD 3.3Å; I632-P636 WeakPolarHBondContact O-CD 3.48Å; I632-L680 HydrophobicContact CG2-CD1 4.4Å; I632-T687 HydrophobicContact CD1-CG2 3.87Å; I632-M720 HydrophobicContact CD1-CE 3.88Å; I632-L723 HydrophobicContact CG2-CD1 3.52Å
633M88.9Confident84.7Confident87 Ų8744.1 Ų44.143%0.42923%0.229SC..Hα-helixtrans-68.5-25.5175.4-72.8-67.9-6300113.6G629 Q630 Y631 P636 V719 L723G629-M633 WeakPolarHBondContact O-CB 3.41Å; G629-M633 WeakPolarHBondContact O-CG 3.5Å; G629-M633 PolarHBondContact O-N 3.18Å; Q630-M633 PolarHBondContact O-N 3.34Å; Y631-M633 VanDerWaalsContact C-N 3.3Å; Y631-M633 PolarHBondContact O-N 3.4Å; M633-P636 WeakPolarHBondContact O-CD 3.47Å; M633-V719 HydrophobicContact CG-CG1 3.9Å; M633-V719 HydrophobicContact SD-CG1 4.07Å; M633-L723 HydrophobicContact CE-CD2 4.46Å; M633-L723 HydrophobicContact SD-CD1 4.03Å; M633-L723 HydrophobicContact SD-CD2 3.61Å; M633-L723 HydrophobicContact SD-CG 3.64Å
634S89Confident83.8Confident23 Ų2341.1 Ų41.116%0.16122%0.221CC..Hα-helixtrans-86.8-19.2175.664.80000113.5Q630 Y631 I632 L637Q630-S634 PolarHBondContact O-N 3.14Å; Y631-S634 PolarHBondContact O-N 3.33Å; Y631-S634 PolarHBondContact O-OG 3.12Å; I632-S634 VanDerWaalsContact C-N 3.31Å; I632-S634 PolarHBondContact O-N 3.12Å; S634-L637 WeakPolarHBondContact O-CB 3.4Å; S634-L637 PolarHBondContact O-N 2.96Å; S634-L637 VanDerWaalsContact O-N 3.12Å
635L88.1Confident82.5Confident1 Ų146.3 Ų46.31%0.00525%0.246CC..Hα-helixtrans-54.1-42.2178.8177.164.8000114.4W460 V584 Y631 I632 L637 H638 L639 L680 I683W460-L635 HydrophobicContact CH2-CB 4.02Å; W460-L635 HydrophobicContact CH2-CD1 3.64Å; W460-L635 HydrophobicContact CH2-CG 4.44Å; W460-L635 HydrophobicContact CZ3-CD1 3.59Å; V584-L635 HydrophobicContact CG1-CD1 4.18Å; Y631-L635 PolarHBondContact O-N 3.45Å; I632-L635 WeakPolarHBondContact O-CB 3.38Å; I632-L635 PolarHBondContact O-N 3.4Å; L635-L637 PolarHBondContact O-N 3.21Å; L635-H638 CarbonylContact O-C 3.51Å; L635-H638 WeakPolarHBondContact O-CA 3.23Å; L635-H638 PolarHBondContact O-N 3.27Å; L635-L639 HydrophobicContact CD1-CD1 4.19Å; L635-L639 HydrophobicContact CD1-CD2 4.41Å; L635-L639 HydrophobicContact CD1-CG 4.03Å; L635-L639 HydrophobicContact CD2-CD1 4.25Å; L635-L639 HydrophobicContact CG-CD1 3.79Å; L635-L639 HydrophobicContact CG-CG 4.1Å; L635-L639 WeakPolarHBondContact O-CG 3.48Å; L635-L639 PolarHBondContact O-N 3.14Å; L635-L680 HydrophobicContact CD2-CD1 3.75Å; L635-L680 HydrophobicContact CG-CD1 4.3Å; L635-I683 HydrophobicContact CD1-CD1 4.4Å; L635-I683 HydrophobicContact CD2-CB 4.3Å; L635-I683 HydrophobicContact CD2-CD1 3.53Å; L635-I683 HydrophobicContact CD2-CG2 4.2Å
636P87.2Confident81.2Confident50 Ų5055.7 Ų55.733%0.32529%0.289SS..Hα-helixtrans-54.2-34.8176.3-28.835.8000114.1I632 M633 H638 L639 E640 L680 L723I632-P636 VanDerWaalsContact O-CD 3.3Å; I632-P636 WeakPolarHBondContact O-CD 3.48Å; M633-P636 WeakPolarHBondContact O-CD 3.47Å; P636-H638 VanDerWaalsContact C-N 3.26Å; P636-H638 PolarHBondContact O-N 3.33Å; P636-L639 CarbonylContact O-C 3.57Å; P636-L639 PolarHBondContact O-N 3.48Å; P636-E640 PolarHBondContact O-N 3.07Å; P636-L680 HydrophobicContact CG-CD1 4.31Å; P636-L680 HydrophobicContact CG-CD2 4.22Å; P636-L723 HydrophobicContact CG-CD2 4.06Å
637L85Confident80.5Confident121 Ų12156.7 Ų56.763%0.63429%0.294SS*.Hα-helixtrans-65.4-31.5176.5-60.5172000111.9S634 L635 E640S634-L637 WeakPolarHBondContact O-CB 3.4Å; S634-L637 PolarHBondContact O-N 2.96Å; S634-L637 VanDerWaalsContact O-N 3.12Å; L635-L637 PolarHBondContact O-N 3.21Å; L637-E640 WeakPolarHBondContact O-CB 3.46Å
638H83.7Confident80.1Confident54 Ų5459.2 Ų59.225%0.2531%0.312CS..Hα-helixtrans-86.6-16.3177.2-66.8-63.6000113.3W460 F463 L635 P636 P641W460-H638 AromaticContact CD1-CD2 3.9Å; W460-H638 AromaticContact CD1-CE1 3.75Å; W460-H638 AromaticContact CD1-NE2 3.33Å; W460-H638 VanDerWaalsContact CD1-NE2 3.33Å; W460-H638 HydrophobicContact CD2-CB 4.45Å; W460-H638 AromaticContact CD2-CD2 3.4Å; W460-H638 AromaticContact CD2-CG 3.77Å; W460-H638 AromaticContact CD2-NE2 3.68Å; W460-H638 AromaticContact CE2-CD2 3.22Å; W460-H638 AromaticContact CE2-NE2 3.46Å; W460-H638 HydrophobicContact CE3-CB 4.11Å; W460-H638 AromaticContact CE3-CD2 3.88Å; W460-H638 AromaticContact CE3-CG 3.93Å; W460-H638 AromaticContact CG-CD2 3.82Å; W460-H638 AromaticContact CG-CE1 3.76Å; W460-H638 AromaticContact CG-NE2 3.59Å; W460-H638 AromaticContact CZ2-CD2 3.55Å; W460-H638 HydrophobicContact CZ3-CB 4.24Å; W460-H638 AromaticContact NE1-CD2 3.55Å; W460-H638 AromaticContact NE1-NE2 3.22Å; W460-H638 PolarHBondContact NE1-NE2 2.98Å; F463-H638 HydrophobicContact CD1-CB 4.41Å; F463-H638 HydrophobicContact CE1-CB 4.23Å; L635-H638 CarbonylContact O-C 3.51Å; L635-H638 WeakPolarHBondContact O-CA 3.23Å; L635-H638 PolarHBondContact O-N 3.27Å; P636-H638 VanDerWaalsContact C-N 3.26Å; P636-H638 PolarHBondContact O-N 3.33Å; H638-P641 WeakPolarHBondContact O-CD 3.47Å
639L82.7Confident79.7Confident4 Ų459.4 Ų59.42%0.02131%0.313CS..Hα-helixtrans-89.5-9.6170.7-63.7174.4000112.6F463 L635 P636 P641 F642 A676 W679 L680F463-L639 HydrophobicContact CE1-CD2 4.28Å; F463-L639 HydrophobicContact CZ-CD2 3.71Å; L635-L639 HydrophobicContact CD1-CD1 4.19Å; L635-L639 HydrophobicContact CD1-CD2 4.41Å; L635-L639 HydrophobicContact CD1-CG 4.03Å; L635-L639 HydrophobicContact CD2-CD1 4.25Å; L635-L639 HydrophobicContact CG-CD1 3.79Å; L635-L639 HydrophobicContact CG-CG 4.1Å; L635-L639 WeakPolarHBondContact O-CG 3.48Å; L635-L639 PolarHBondContact O-N 3.14Å; P636-L639 CarbonylContact O-C 3.57Å; P636-L639 PolarHBondContact O-N 3.48Å; L639-P641 VanDerWaalsContact C-N 3.27Å; L639-F642 HydrophobicContact CB-CD2 4.34Å; L639-F642 HydrophobicContact CD2-CD2 3.51Å; L639-F642 HydrophobicContact CD2-CE2 3.26Å; L639-F642 HydrophobicContact CD2-CZ 4.15Å; L639-F642 WeakPolarHBondContact O-CA 3.3Å; L639-F642 VanDerWaalsContact O-CB 3.24Å; L639-F642 WeakPolarHBondContact O-CB 3.37Å; L639-F642 PolarHBondContact O-N 2.93Å; L639-A676 HydrophobicContact CB-CB 4.25Å; L639-W679 HydrophobicContact CD1-CB 4.28Å; L639-W679 HydrophobicContact CD2-CB 4.22Å; L639-L680 HydrophobicContact CD1-CB 4.2Å
640E78.1Confident79.5Confident108 Ų10859.6 Ų59.651%0.50531%0.314SS..Hα-helixtrans-49.1-39.6174.8-171.8179.5-170.500113.6P636 L637 F642 V643 T644P636-E640 PolarHBondContact O-N 3.07Å; L637-E640 WeakPolarHBondContact O-CB 3.46Å; E640-F642 PolarHBondContact O-N 3.19Å; E640-F642 VanDerWaalsContact O-N 3.14Å; E640-V643 PolarHBondContact O-N 3.3Å; E640-T644 HydrophobicContact CG-CG2 3.64Å; E640-T644 WeakPolarHBondContact O-CB 3.49Å; E640-T644 PolarHBondContact O-N 2.92Å; E640-T644 PolarHBondContact O-OG1 2.93Å
641P71.2Confident79.2Confident43 Ų4359.7 Ų59.728%0.27932%0.315SS..Hα-helixtrans-58.4-24.8174.4-24.835.7000114.3H638 L639 V643 Q645H638-P641 WeakPolarHBondContact O-CD 3.47Å; L639-P641 VanDerWaalsContact C-N 3.27Å; P641-V643 VanDerWaalsContact C-N 3.34Å; P641-Q645 WeakPolarHBondContact O-CB 3.33Å; P641-Q645 PolarHBondContact O-N 3.36Å
642F73.1Confident78.8Confident17 Ų1763.1 Ų63.18%0.07533%0.333CS..Hα-helixtrans-77-22.1177.3-59.8-11.3000113.1F463 V467 L639 E640 L650 L654 A676 W679F463-F642 HydrophobicContact CZ-CE2 4.32Å; F463-F642 HydrophobicContact CZ-CZ 4.05Å; V467-F642 HydrophobicContact CB-CE1 4.21Å; V467-F642 HydrophobicContact CG1-CE1 3.63Å; V467-F642 HydrophobicContact CG1-CZ 4.45Å; V467-F642 HydrophobicContact CG2-CE1 3.58Å; V467-F642 HydrophobicContact CG2-CZ 3.57Å; L639-F642 HydrophobicContact CB-CD2 4.34Å; L639-F642 HydrophobicContact CD2-CD2 3.51Å; L639-F642 HydrophobicContact CD2-CE2 3.26Å; L639-F642 HydrophobicContact CD2-CZ 4.15Å; L639-F642 WeakPolarHBondContact O-CA 3.3Å; L639-F642 VanDerWaalsContact O-CB 3.24Å; L639-F642 WeakPolarHBondContact O-CB 3.37Å; L639-F642 PolarHBondContact O-N 2.93Å; E640-F642 PolarHBondContact O-N 3.19Å; E640-F642 VanDerWaalsContact O-N 3.14Å; F642-L650 HydrophobicContact CD1-CD2 4.03Å; F642-L650 HydrophobicContact CE1-CD2 4.47Å; F642-L654 HydrophobicContact CB-CD1 4.15Å; F642-L654 HydrophobicContact CD1-CD1 4.27Å; F642-L654 HydrophobicContact CD2-CD1 4.37Å; F642-L654 HydrophobicContact CE2-CD2 4.37Å; F642-L654 HydrophobicContact CG-CD1 4.05Å; F642-L654 HydrophobicContact CZ-CD2 4.49Å; F642-A676 HydrophobicContact CB-CB 4.4Å; F642-W679 AromaticContact CE2-CD1 3.97Å; F642-W679 HydrophobicContact CE2-CD2 4.28Å; F642-W679 HydrophobicContact CE2-CG 4.12Å
643V67.3Low78.6Confident86 Ų8663.1 Ų63.152%0.52133%0.332SS..Hα-helixtrans-101.1-32.4-177.2-175.10000111.4E640 P641 A676E640-V643 PolarHBondContact O-N 3.3Å; P641-V643 VanDerWaalsContact C-N 3.34Å; V643-A676 HydrophobicContact CG2-CB 3.33Å
644T64.5Low78.4Confident86 Ų8659.6 Ų59.653%0.52832%0.315SS..Hα-helixtrans-103-22.5-169.456.50000114.7E640E640-T644 HydrophobicContact CG-CG2 3.64Å; E640-T644 WeakPolarHBondContact O-CB 3.49Å; E640-T644 PolarHBondContact O-N 2.92Å; E640-T644 PolarHBondContact O-OG1 2.93Å
645Q60.8Low77.9Confident120 Ų12064.4 Ų64.456%0.56134%0.335SS*.  trans-88.2116.3176.7-63.8-173.9-10.700109.8P641 D647P641-Q645 WeakPolarHBondContact O-CB 3.33Å; P641-Q645 PolarHBondContact O-N 3.36Å; Q645-D647 PolarHBondContact O-N 2.71Å
646E62.5Low77.5Confident197 Ų19765.9 Ų65.992%0.92135%0.347SS*.  trans-70.153.6165.9-63.3-175.8174.400110.5P648E646-P648 WeakPolarHBondContact O-CD 3.24Å
647D74Confident77Confident53 Ų5363.9 Ų63.928%0.28334%0.336SS..  trans-90.8100.1169.6-175.20.3000109.1Q645 A649 L650 E651Q645-D647 PolarHBondContact O-N 2.71Å; D647-A649 PolarHBondContact O-N 3.37Å; D647-A649 VanDerWaalsContact O-N 3.14Å; D647-A649 VanDerWaalsContact OD1-CB 3.28Å; D647-A649 WeakPolarHBondContact OD1-CB 3.34Å; D647-A649 PolarHBondContact OD1-N 3.33Å; D647-L650 HydrophobicContact CB-CB 3.96Å; D647-L650 PolarHBondContact O-N 2.97Å; D647-L650 VanDerWaalsContact O-N 3.12Å; D647-E651 PolarHBondContact O-N 3.04Å; D647-E651 VanDerWaalsContact O-N 3.07Å
648P79.1Confident76.8Confident79 Ų7965.6 Ų65.651%0.51334%0.338SS..Hα-helixtrans-63.9-21.1-178.628.6-36.6000112.3E646 L652E646-P648 WeakPolarHBondContact O-CD 3.24Å; P648-L652 VanDerWaalsContact O-CB 3.29Å; P648-L652 WeakPolarHBondContact O-CB 3.45Å; P648-L652 PolarHBondContact O-N 3.34Å
649A82.4Confident76.8Confident3 Ų363.6 Ų63.63%0.02533%0.329CS..Hα-helixtrans-71-47.6174.800000110.6G474 E475 D647 L652 A653G474-A649 WeakPolarHBondContact CA-O 3.49Å; E475-A649 HydrophobicContact CB-CB 4.14Å; D647-A649 PolarHBondContact O-N 3.37Å; D647-A649 VanDerWaalsContact O-N 3.14Å; D647-A649 VanDerWaalsContact OD1-CB 3.28Å; D647-A649 WeakPolarHBondContact OD1-CB 3.34Å; D647-A649 PolarHBondContact OD1-N 3.33Å; A649-L652 PolarHBondContact O-N 3.28Å; A649-A653 PolarHBondContact O-N 3.21Å
650L83.3Confident76.8Confident5 Ų565.1 Ų65.13%0.02634%0.34CS..Hα-helixtrans-62.9-44.9178-178.959.7000111.7I470 A471 F642 D647 L652 A653 L654I470-L650 HydrophobicContact CB-CD1 4.45Å; I470-L650 HydrophobicContact CG2-CD1 3.91Å; A471-L650 HydrophobicContact CB-CB 4.39Å; A471-L650 HydrophobicContact CB-CD1 4.19Å; F642-L650 HydrophobicContact CD1-CD2 4.03Å; F642-L650 HydrophobicContact CE1-CD2 4.47Å; D647-L650 HydrophobicContact CB-CB 3.96Å; D647-L650 PolarHBondContact O-N 2.97Å; D647-L650 VanDerWaalsContact O-N 3.12Å; L650-L652 VanDerWaalsContact C-N 3.35Å; L650-L652 PolarHBondContact O-N 3.06Å; L650-A653 WeakPolarHBondContact O-CB 3.35Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.13Å; L650-L654 HydrophobicContact CD1-CD1 4.16Å; L650-L654 HydrophobicContact CD1-CG 4.16Å; L650-L654 HydrophobicContact CG-CD1 3.95Å; L650-L654 HydrophobicContact CG-CG 4.4Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.02Å
651E82.1Confident77Confident113 Ų11363.2 Ų63.253%0.52833%0.33SS..Hα-helixtrans-57.4-47.6176.4-172.5-175.7178.500111.4D647 A653 L654 H655D647-E651 PolarHBondContact O-N 3.04Å; D647-E651 VanDerWaalsContact O-N 3.07Å; E651-A653 VanDerWaalsContact C-N 3.31Å; E651-A653 PolarHBondContact O-N 3.14Å; E651-L654 PolarHBondContact O-N 2.95Å; E651-H655 PolarHBondContact O-CD2 3.42Å; E651-H655 PolarHBondContact O-N 3Å
652L82.9Confident77.4Confident75 Ų7564.9 Ų64.939%0.39334%0.341SS..Hα-helixtrans-59.2-41.6175.5-17869.5000112.1L477 R478 P648 A649 L650 A656L477-L652 HydrophobicContact CB-CD2 3.95Å; R478-L652 HydrophobicContact CB-CD2 3.84Å; R478-L652 HydrophobicContact CG-CD2 4.46Å; P648-L652 VanDerWaalsContact O-CB 3.29Å; P648-L652 WeakPolarHBondContact O-CB 3.45Å; P648-L652 PolarHBondContact O-N 3.34Å; A649-L652 PolarHBondContact O-N 3.28Å; L650-L652 VanDerWaalsContact C-N 3.35Å; L650-L652 PolarHBondContact O-N 3.06Å; L652-A656 VanDerWaalsContact O-CB 3.25Å; L652-A656 WeakPolarHBondContact O-CB 3.42Å; L652-A656 PolarHBondContact O-N 3Å
653A85.6Confident77.3Confident0 Ų065.3 Ų65.30%035%0.345CS..Hα-helixtrans-64.4-43.4177.700000111.8I470 N573 A649 L650 E651 A656 G657I470-A653 HydrophobicContact CG2-CB 3.66Å; I470-A653 WeakPolarHBondContact O-CB 3.5Å; N573-A653 PolarHBondContact ND2-O 2.85Å; A649-A653 PolarHBondContact O-N 3.21Å; L650-A653 WeakPolarHBondContact O-CB 3.35Å; L650-A653 PolarHBondContact O-N 3.02Å; L650-A653 VanDerWaalsContact O-N 3.13Å; E651-A653 VanDerWaalsContact C-N 3.31Å; E651-A653 PolarHBondContact O-N 3.14Å; A653-A656 PolarHBondContact O-N 2.79Å; A653-G657 PolarHBondContact O-N 3.33Å
654L83.6Confident77.3Confident13 Ų1367.6 Ų67.67%0.06835%0.35CS..Hα-helixtrans-66.7-42.7-178.4-69.6170.8000111.2I470 F642 L650 E651 G657 T675 W679I470-L654 HydrophobicContact CG2-CD2 4.32Å; F642-L654 HydrophobicContact CB-CD1 4.15Å; F642-L654 HydrophobicContact CD1-CD1 4.27Å; F642-L654 HydrophobicContact CD2-CD1 4.37Å; F642-L654 HydrophobicContact CE2-CD2 4.37Å; F642-L654 HydrophobicContact CG-CD1 4.05Å; F642-L654 HydrophobicContact CZ-CD2 4.49Å; L650-L654 HydrophobicContact CD1-CD1 4.16Å; L650-L654 HydrophobicContact CD1-CG 4.16Å; L650-L654 HydrophobicContact CG-CD1 3.95Å; L650-L654 HydrophobicContact CG-CG 4.4Å; L650-L654 VanDerWaalsContact O-CG 3.28Å; L650-L654 WeakPolarHBondContact O-CG 3.4Å; L650-L654 PolarHBondContact O-N 3.02Å; E651-L654 PolarHBondContact O-N 2.95Å; L654-G657 PolarHBondContact O-N 3.22Å; L654-T675 HydrophobicContact CB-CG2 4.03Å; L654-W679 VanDerWaalsContact CD2-NE1 3.33Å
655H79.3Confident76.5Confident124 Ų12473.6 Ų73.657%0.57437%0.373SS*.Hα-helixtrans-68.3-34.4175.2-74-61.8000113.6E651 G657E651-H655 PolarHBondContact O-CD2 3.42Å; E651-H655 PolarHBondContact O-N 3Å; H655-G657 VanDerWaalsContact C-N 3.32Å
656A79.7Confident76.1Confident32 Ų3271.4 Ų71.426%0.26438%0.382SS..Hα-helixtrans-78.4-19.4176.500000113L477 L652 A653L477-A656 HydrophobicContact CD1-CB 3.94Å; L652-A656 VanDerWaalsContact O-CB 3.25Å; L652-A656 WeakPolarHBondContact O-CB 3.42Å; L652-A656 PolarHBondContact O-N 3Å; A653-A656 PolarHBondContact O-N 2.79Å
657G76.3Confident75.9Confident9 Ų965.2 Ų65.29%0.09336%0.355CS..  trans-74.9143.1-179.900000112N573 A653 L654 H655N573-G657 PolarHBondContact ND2-N 3.47Å; A653-G657 PolarHBondContact O-N 3.33Å; L654-G657 PolarHBondContact O-N 3.22Å; H655-G657 VanDerWaalsContact C-N 3.32Å
658K81.3Confident74.7Confident156 Ų15670.8 Ų70.868%0.67839%0.385SS*.  trans-113.6119.5171.1-68.3-174.1178.4-175.60108.6Q574Q574-K658 HydrophobicContact CG-CB 4.42Å
659L83.1Confident73.7Confident12 Ų1269.1 Ų69.16%0.06337%0.371CS..  trans-85.8152.8175.8-61.7176.3000112.1N577 Y678 W679N577-L659 HydrophobicContact CB-CD2 4.06Å; L659-Y678 HydrophobicContact CB-CE1 4.01Å; L659-Y678 HydrophobicContact CD1-CD1 3.6Å; L659-Y678 HydrophobicContact CD1-CE1 3.61Å; L659-Y678 HydrophobicContact CG-CD1 4.33Å; L659-Y678 HydrophobicContact CG-CE1 3.88Å; L659-W679 HydrophobicContact CD1-CB 4.23Å; L659-W679 HydrophobicContact CD1-CD2 3.51Å; L659-W679 HydrophobicContact CD1-CE3 4.09Å; L659-W679 HydrophobicContact CD1-CG 3.55Å; L659-W679 HydrophobicContact CD1-CZ2 4.39Å; L659-W679 HydrophobicContact CD2-CD2 3.92Å; L659-W679 VanDerWaalsContact CD2-CE2 3.45Å; L659-W679 HydrophobicContact CD2-CE3 4.16Å; L659-W679 HydrophobicContact CD2-CH2 3.53Å; L659-W679 HydrophobicContact CD2-CZ2 3.28Å; L659-W679 HydrophobicContact CD2-CZ3 3.98Å; L659-W679 HydrophobicContact CG-CD2 4.37Å; L659-W679 HydrophobicContact CG-CZ2 4.42Å
660P81.9Confident72.4Confident37 Ų3774 Ų7424%0.2440%0.403CS..SBendtrans-59.6155.5166.2-20.734.3000111.6F581 S682F581-P660 HydrophobicContact CB-CG 4.5Å; F581-P660 HydrophobicContact CD1-CB 4.4Å; F581-P660 HydrophobicContact CD1-CG 3.81Å; F581-P660 HydrophobicContact CD2-CG 4.26Å; F581-P660 HydrophobicContact CE1-CB 4.16Å; F581-P660 HydrophobicContact CE1-CG 4.07Å; F581-P660 HydrophobicContact CE2-CB 4.4Å; F581-P660 HydrophobicContact CE2-CG 4.48Å; F581-P660 HydrophobicContact CG-CG 3.92Å; F581-P660 HydrophobicContact CZ-CB 4.16Å; F581-P660 HydrophobicContact CZ-CG 4.39Å; P660-S682 PolarHBondContact O-OG 3.49Å
661F82.4Confident71.1Confident67 Ų6774.8 Ų74.829%0.29441%0.406SS..SBendtrans51.556.9178.5-50.7-84.2000114.5F581 R685 A686 Q689F581-F661 AromaticContact CZ-CD2 3.97Å; F581-F661 HydrophobicContact CZ-CD2 3.97Å; F581-F661 HydrophobicContact CZ-CE2 4.17Å; F661-R685 HydrophobicContact CB-CB 4.21Å; F661-R685 PolarHBondContact O-NE 3.47Å; F661-A686 HydrophobicContact CD2-CB 3.42Å; F661-A686 VanDerWaalsContact CD2-CB 3.42Å; F661-A686 HydrophobicContact CE2-CB 3.64Å; F661-A686 HydrophobicContact CG-CB 4.01Å; F661-A686 HydrophobicContact CZ-CB 4.38Å; F661-Q689 HydrophobicContact CE1-CG 4.44Å
662P79.6Confident69.9Low79 Ų7974 Ų7451%0.51341%0.405SS..PPolyproline II helixtrans-62.5158.3172.130.6-35.8000110.7
663P72.7Confident68.8Low26 Ų2677.8 Ų77.817%0.16943%0.426CS..PPolyproline II helixtrans-58.2151173.924.8-31.7000111.4L669 L672 Y678P663-L669 HydrophobicContact CB-CD1 3.81Å; P663-L672 HydrophobicContact CG-CD2 4.04Å; P663-Y678 HydrophobicContact CG-CE2 4.32Å
664E66.3Low68.4Low134 Ų13480.1 Ų80.163%0.62644%0.438SS*.PPolyproline II helixtrans-63.8140.8179.4-66.9-171.3170.600110.4G666 D667E664-G666 PolarHBondContact O-N 2.87Å; E664-D667 PolarHBondContact O-N 3.4Å
665Q48.8Very low68.1Low212 Ų21280.5 Ų80.599%0.99144%0.442SS*.THydrogen-bonded Turntrans-62.2110.5-177.5-69.8-178.8-9.400110.6
666G52.2Low68.2Low74 Ų7475 Ų7576%0.76342%0.417SS*.THydrogen-bonded Turntrans116.2-1.1177.600000115.6E664E664-G666 PolarHBondContact O-N 2.87Å
667D56.7Low68.4Low67 Ų6776.5 Ų76.536%0.35842%0.421SS..  trans-83.6108.3168.2-78.5-20.4000109.6E664 L669E664-D667 PolarHBondContact O-N 3.4Å; D667-L669 HydrophobicContact CB-CD1 3.86Å; D667-L669 HydrophobicContact CB-CG 3.93Å; D667-L669 PolarHBondContact O-N 3.3Å
668D50.5Low68.7Low169 Ų16978.6 Ų78.690%0.90443%0.426SS*.  trans-71.578.7169.4-73.7-32.5000109
669L57.8Low68.9Low44 Ų4471.3 Ų71.323%0.2340%0.395CS..  trans-92.1135.4-179.9-71.5161.6000111.3P663 D667 E671 L672P663-L669 HydrophobicContact CB-CD1 3.81Å; D667-L669 HydrophobicContact CB-CD1 3.86Å; D667-L669 HydrophobicContact CB-CG 3.93Å; D667-L669 PolarHBondContact O-N 3.3Å; L669-E671 HydrophobicContact CB-CB 4.44Å; L669-E671 PolarHBondContact O-N 3.44Å; L669-E671 VanDerWaalsContact O-N 3.11Å; L669-L672 PolarHBondContact O-N 2.87Å
670P54.6Low69.2Low105 Ų10571.2 Ų71.268%0.68239%0.394SS*.G310 helixtrans-58.4-21.6173.3-19.429.6000113.9L672 D673P670-L672 PolarHBondContact O-N 3.05Å; P670-L672 VanDerWaalsContact O-N 3.17Å; P670-D673 PolarHBondContact O-N 3.5Å
671E56.5Low69.5Low22 Ų2269.5 Ų69.510%0.10338%0.383CS..G310 helixtrans-63.6-13.4178.9-64.4166.1-144.500114.1L669 D673 D677 Y678 R685 L725L669-E671 HydrophobicContact CB-CB 4.44Å; L669-E671 PolarHBondContact O-N 3.44Å; L669-E671 VanDerWaalsContact O-N 3.11Å; E671-D673 VanDerWaalsContact C-N 3.35Å; E671-D677 HydrophobicContact CB-CB 4.25Å; E671-D677 HydrophobicContact CG-CB 4.36Å; E671-Y678 PolarHBondContact O-N 3.18Å; E671-R685 IonicContact OE2-CZ 3.98Å; E671-R685 IonicContact OE2-NH1 3.63Å; E671-R685 PolarHBondContact OE2-NH1 3.34Å; E671-L725 HydrophobicContact CG-CD2 4.04Å; E671-L725 WeakPolarHBondContact OE1-CD2 3.46Å
672L56.5Low69.8Low96 Ų9666.3 Ų66.350%0.50337%0.369SS..G310 helixtrans-80.3-16.8-178.1-72.8159.8000113.3P663 L669 P670 Y678P663-L672 HydrophobicContact CG-CD2 4.04Å; L669-L672 PolarHBondContact O-N 2.87Å; P670-L672 PolarHBondContact O-N 3.05Å; P670-L672 VanDerWaalsContact O-N 3.17Å; L672-Y678 HydrophobicContact CD2-CD2 4.39Å; L672-Y678 HydrophobicContact CD2-CE2 4.43Å
673D60.3Low70.4Confident155 Ų15562.5 Ų62.583%0.82935%0.345SS*.SBendtrans-87.5-22.4-177.1-69.3-23.2000112.8P670 E671P670-D673 PolarHBondContact O-N 3.5Å; E671-D673 VanDerWaalsContact C-N 3.35Å
674N76.9Confident71.2Confident49 Ų4961.3 Ų61.326%0.26234%0.337SS..  trans-123125.8-178.6-18013.4000111.3A676 D677 Y678N674-A676 VanDerWaalsContact C-N 3.31Å; N674-A676 PolarHBondContact O-N 3.1Å; N674-A676 PolarHBondContact OD1-N 3.48Å; N674-D677 HydrophobicContact CB-CB 4.16Å; N674-D677 VanDerWaalsContact CB-OD2 3.29Å; N674-D677 WeakPolarHBondContact CB-OD2 3.5Å; N674-D677 VanDerWaalsContact ND2-CG 3.29Å; N674-D677 PolarHBondContact ND2-OD2 2.97Å; N674-D677 PolarHBondContact O-N 3.28Å; N674-Y678 PolarHBondContact O-N 3.39Å
675T77.9Confident72.4Confident22 Ų2257.1 Ų57.114%0.13532%0.315CS..Hα-helixtrans-64.5-32.3-175.754.60000113.1L654 W679L654-T675 HydrophobicContact CB-CG2 4.03Å; T675-W679 PolarHBondContact O-N 2.85Å
676A81.2Confident74.4Confident7 Ų747 Ų476%0.05827%0.268CS..Hα-helixtrans-68.9-40.6175.700000112L639 F642 V643 N674 Y678 W679 L680L639-A676 HydrophobicContact CB-CB 4.25Å; F642-A676 HydrophobicContact CB-CB 4.4Å; V643-A676 HydrophobicContact CG2-CB 3.33Å; N674-A676 VanDerWaalsContact C-N 3.31Å; N674-A676 PolarHBondContact O-N 3.1Å; N674-A676 PolarHBondContact OD1-N 3.48Å; A676-Y678 VanDerWaalsContact C-N 3.34Å; A676-W679 WeakPolarHBondContact O-CB 3.41Å; A676-W679 PolarHBondContact O-N 3.37Å; A676-L680 WeakPolarHBondContact O-CB 3.46Å; A676-L680 PolarHBondContact O-N 2.91Å
677D82.3Confident76.3Confident64 Ų6443.5 Ų43.534%0.34223%0.232SC..Hα-helixtrans-68.3-37.6177.1-62.3-27.5000110.6E671 N674 W679 L680 G681E671-D677 HydrophobicContact CB-CB 4.25Å; E671-D677 HydrophobicContact CG-CB 4.36Å; N674-D677 HydrophobicContact CB-CB 4.16Å; N674-D677 VanDerWaalsContact CB-OD2 3.29Å; N674-D677 WeakPolarHBondContact CB-OD2 3.5Å; N674-D677 VanDerWaalsContact ND2-CG 3.29Å; N674-D677 PolarHBondContact ND2-OD2 2.97Å; N674-D677 PolarHBondContact O-N 3.28Å; D677-W679 PolarHBondContact O-N 3.48Å; D677-L680 PolarHBondContact O-N 3.38Å; D677-G681 PolarHBondContact O-N 3.48Å
678Y83Confident77.9Confident53 Ų5340.5 Ų40.521%0.20822%0.216CC..Hα-helixtrans-60-42.6172.3-176-106.6000112.7L659 P663 E671 L672 N674 A676 S682L659-Y678 HydrophobicContact CB-CE1 4.01Å; L659-Y678 HydrophobicContact CD1-CD1 3.6Å; L659-Y678 HydrophobicContact CD1-CE1 3.61Å; L659-Y678 HydrophobicContact CG-CD1 4.33Å; L659-Y678 HydrophobicContact CG-CE1 3.88Å; P663-Y678 HydrophobicContact CG-CE2 4.32Å; E671-Y678 PolarHBondContact O-N 3.18Å; L672-Y678 HydrophobicContact CD2-CD2 4.39Å; L672-Y678 HydrophobicContact CD2-CE2 4.43Å; N674-Y678 PolarHBondContact O-N 3.39Å; A676-Y678 VanDerWaalsContact C-N 3.34Å; Y678-S682 WeakPolarHBondContact O-CB 3.47Å; Y678-S682 PolarHBondContact O-N 3.29Å
679W86.7Confident79.9Confident4 Ų436.9 Ų36.92%0.01519%0.193CC..Hα-helixtrans-64.6-47.5174.5-9894.4000112.5F463 I470 N577 A580 F581 L639 F642 L654 L659 T675 A676 D677 G681 S682 I683F463-W679 HydrophobicContact CE2-CZ3 4.35Å; I470-W679 HydrophobicContact CD1-CZ2 4.14Å; N577-W679 HydrophobicContact CB-CZ2 4.42Å; N577-W679 WeakPolarHBondContact O-CH2 3.45Å; N577-W679 WeakPolarHBondContact OD1-CZ2 3.46Å; A580-W679 HydrophobicContact CB-CH2 3.57Å; A580-W679 HydrophobicContact CB-CZ2 4.3Å; A580-W679 HydrophobicContact CB-CZ3 4.33Å; F581-W679 HydrophobicContact CB-CH2 4.22Å; F581-W679 HydrophobicContact CB-CZ3 4.01Å; L639-W679 HydrophobicContact CD1-CB 4.28Å; L639-W679 HydrophobicContact CD2-CB 4.22Å; F642-W679 AromaticContact CE2-CD1 3.97Å; F642-W679 HydrophobicContact CE2-CD2 4.28Å; F642-W679 HydrophobicContact CE2-CG 4.12Å; L654-W679 VanDerWaalsContact CD2-NE1 3.33Å; L659-W679 HydrophobicContact CD1-CB 4.23Å; L659-W679 HydrophobicContact CD1-CD2 3.51Å; L659-W679 HydrophobicContact CD1-CE3 4.09Å; L659-W679 HydrophobicContact CD1-CG 3.55Å; L659-W679 HydrophobicContact CD1-CZ2 4.39Å; L659-W679 HydrophobicContact CD2-CD2 3.92Å; L659-W679 VanDerWaalsContact CD2-CE2 3.45Å; L659-W679 HydrophobicContact CD2-CE3 4.16Å; L659-W679 HydrophobicContact CD2-CH2 3.53Å; L659-W679 HydrophobicContact CD2-CZ2 3.28Å; L659-W679 HydrophobicContact CD2-CZ3 3.98Å; L659-W679 HydrophobicContact CG-CD2 4.37Å; L659-W679 HydrophobicContact CG-CZ2 4.42Å; T675-W679 PolarHBondContact O-N 2.85Å; A676-W679 WeakPolarHBondContact O-CB 3.41Å; A676-W679 PolarHBondContact O-N 3.37Å; D677-W679 PolarHBondContact O-N 3.48Å; W679-G681 PolarHBondContact O-N 3.27Å; W679-S682 WeakPolarHBondContact O-CB 3.46Å; W679-S682 PolarHBondContact O-N 3.23Å; W679-I683 HydrophobicContact CE3-CD1 4.11Å; W679-I683 PolarHBondContact O-N 2.65Å; W679-I683 VanDerWaalsContact O-N 3.11Å
680L88.4Confident81.4Confident9 Ų936.2 Ų36.25%0.04719%0.191CC..Hα-helixtrans-59.9-46.8178.1-176.662.2000110.9I632 L635 P636 L639 A676 D677 S682 I683 A684 L723 L725I632-L680 HydrophobicContact CG2-CD1 4.4Å; L635-L680 HydrophobicContact CD2-CD1 3.75Å; L635-L680 HydrophobicContact CG-CD1 4.3Å; P636-L680 HydrophobicContact CG-CD1 4.31Å; P636-L680 HydrophobicContact CG-CD2 4.22Å; L639-L680 HydrophobicContact CD1-CB 4.2Å; A676-L680 WeakPolarHBondContact O-CB 3.46Å; A676-L680 PolarHBondContact O-N 2.91Å; D677-L680 PolarHBondContact O-N 3.38Å; L680-S682 PolarHBondContact O-N 3.39Å; L680-I683 PolarHBondContact O-N 3.28Å; L680-A684 WeakPolarHBondContact O-CB 3.3Å; L680-A684 PolarHBondContact O-N 2.74Å; L680-L723 HydrophobicContact CD2-CB 4.4Å; L680-L723 HydrophobicContact CD2-CD2 4.41Å; L680-L725 HydrophobicContact CG-CD1 4.23Å
681G88Confident83.1Confident1 Ų131.2 Ų31.21%0.0116%0.159CC..Hα-helixtrans-61.2-40.1175.800000112.9D677 W679 A684 R685D677-G681 PolarHBondContact O-N 3.48Å; W679-G681 PolarHBondContact O-N 3.27Å; G681-A684 PolarHBondContact O-N 3.02Å; G681-R685 VanDerWaalsContact C-NH2 3.28Å; G681-R685 WeakPolarHBondContact O-CB 3.41Å; G681-R685 VanDerWaalsContact O-CG 3.28Å; G681-R685 WeakPolarHBondContact O-CG 3.26Å; G681-R685 VanDerWaalsContact O-CZ 3.24Å; G681-R685 PolarHBondContact O-N 3.49Å; G681-R685 PolarHBondContact O-NE 2.92Å; G681-R685 PolarHBondContact O-NH1 3.44Å
682S89.4Confident84.7Confident0 Ų030.4 Ų30.40%016%0.155CC..Hα-helixtrans-61.4-46.9177.1169.30000111.8F581 P660 Y678 W679 L680 R685 A686F581-S682 WeakPolarHBondContact CE2-OG 3.22Å; P660-S682 PolarHBondContact O-OG 3.49Å; Y678-S682 WeakPolarHBondContact O-CB 3.47Å; Y678-S682 PolarHBondContact O-N 3.29Å; W679-S682 WeakPolarHBondContact O-CB 3.46Å; W679-S682 PolarHBondContact O-N 3.23Å; L680-S682 PolarHBondContact O-N 3.39Å; S682-R685 VanDerWaalsContact N-NH2 3.19Å; S682-R685 PolarHBondContact O-N 3.15Å; S682-A686 WeakPolarHBondContact O-CB 3.46Å; S682-A686 PolarHBondContact O-N 2.97Å
683I91.2Very high86.2Confident0 Ų029.7 Ų29.70%015%0.152CC..Hα-helixtrans-66.7-43.8178.1-69.4162.3000110.6F581 V584 I588 L635 W679 L680 R685 A686 T687F581-I683 HydrophobicContact CD2-CG1 3.99Å; F581-I683 HydrophobicContact CE2-CG1 3.87Å; V584-I683 HydrophobicContact CB-CD1 4.23Å; V584-I683 HydrophobicContact CG1-CD1 3.94Å; V584-I683 HydrophobicContact CG1-CG2 4.47Å; I588-I683 HydrophobicContact CD1-CG2 3.86Å; L635-I683 HydrophobicContact CD1-CD1 4.4Å; L635-I683 HydrophobicContact CD2-CB 4.3Å; L635-I683 HydrophobicContact CD2-CD1 3.53Å; L635-I683 HydrophobicContact CD2-CG2 4.2Å; W679-I683 HydrophobicContact CE3-CD1 4.11Å; W679-I683 PolarHBondContact O-N 2.65Å; W679-I683 VanDerWaalsContact O-N 3.11Å; L680-I683 PolarHBondContact O-N 3.28Å; I683-R685 PolarHBondContact O-N 3.01Å; I683-A686 WeakPolarHBondContact O-CB 3.4Å; I683-A686 PolarHBondContact O-N 3.11Å; I683-T687 PolarHBondContact O-N 3.43Å; I683-T687 PolarHBondContact O-OG1 3.01Å
684A90.3Very high87.5Confident1 Ų122.7 Ų22.71%0.00812%0.115CC..Hα-helixtrans-59.6-45.8176.700000112.7L680 G681 A686 T687 M688 M720 L725L680-A684 WeakPolarHBondContact O-CB 3.3Å; L680-A684 PolarHBondContact O-N 2.74Å; G681-A684 PolarHBondContact O-N 3.02Å; A684-A686 PolarHBondContact O-N 3.49Å; A684-T687 WeakPolarHBondContact O-CB 3.28Å; A684-T687 PolarHBondContact O-N 3.01Å; A684-M688 WeakPolarHBondContact O-CG 3.36Å; A684-M688 PolarHBondContact O-N 3.37Å; A684-M720 HydrophobicContact CB-CE 4.18Å; A684-M720 HydrophobicContact CB-SD 3.57Å; A684-M720 VanDerWaalsContact CB-SD 3.57Å; A684-L725 HydrophobicContact CB-CD1 3.25Å
685R90.4Very high88Confident46 Ų4620.4 Ų20.417%0.17410%0.103CC..Hα-helixtrans-60.5-45175.3-75.7-176.7-69.1-87.21.7111.4F661 E671 G681 S682 I683 T687 M688 Q689F661-R685 HydrophobicContact CB-CB 4.21Å; F661-R685 PolarHBondContact O-NE 3.47Å; E671-R685 IonicContact OE2-CZ 3.98Å; E671-R685 IonicContact OE2-NH1 3.63Å; E671-R685 PolarHBondContact OE2-NH1 3.34Å; G681-R685 VanDerWaalsContact C-NH2 3.28Å; G681-R685 WeakPolarHBondContact O-CB 3.41Å; G681-R685 VanDerWaalsContact O-CG 3.28Å; G681-R685 WeakPolarHBondContact O-CG 3.26Å; G681-R685 VanDerWaalsContact O-CZ 3.24Å; G681-R685 PolarHBondContact O-N 3.49Å; G681-R685 PolarHBondContact O-NE 2.92Å; G681-R685 PolarHBondContact O-NH1 3.44Å; S682-R685 VanDerWaalsContact N-NH2 3.19Å; S682-R685 PolarHBondContact O-N 3.15Å; I683-R685 PolarHBondContact O-N 3.01Å; R685-T687 PolarHBondContact O-N 2.8Å; R685-M688 HydrophobicContact CG-CE 4.48Å; R685-M688 PolarHBondContact O-N 2.87Å; R685-Q689 WeakPolarHBondContact O-CB 3.35Å; R685-Q689 PolarHBondContact O-N 3.25Å
686A91.2Very high88.4Confident0 Ų021.9 Ų21.90%011%0.11CC..Hα-helixtrans-61.8-41.6176.600000112.7F581 F585 F661 S682 I683 A684 T690F581-A686 HydrophobicContact CE2-CB 4.23Å; F581-A686 HydrophobicContact CZ-CB 3.56Å; F585-A686 HydrophobicContact CD2-CB 3.98Å; F585-A686 HydrophobicContact CE2-CB 3.58Å; F585-A686 HydrophobicContact CZ-CB 3.98Å; F661-A686 HydrophobicContact CD2-CB 3.42Å; F661-A686 VanDerWaalsContact CD2-CB 3.42Å; F661-A686 HydrophobicContact CE2-CB 3.64Å; F661-A686 HydrophobicContact CG-CB 4.01Å; F661-A686 HydrophobicContact CZ-CB 4.38Å; S682-A686 WeakPolarHBondContact O-CB 3.46Å; S682-A686 PolarHBondContact O-N 2.97Å; I683-A686 WeakPolarHBondContact O-CB 3.4Å; I683-A686 PolarHBondContact O-N 3.11Å; A684-A686 PolarHBondContact O-N 3.49Å; A686-T690 VanDerWaalsContact O-CB 3.26Å; A686-T690 WeakPolarHBondContact O-CB 3.28Å; A686-T690 PolarHBondContact O-N 2.98Å; A686-T690 PolarHBondContact O-OG1 2.81Å
687T92.1Very high88.6Confident0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-60.1-52.3175.2-60.10000110.8I588 L592 I628 I632 I683 A684 R685 Q689 T690 Y691 L716 M720I588-T687 HydrophobicContact CG2-CG2 3.72Å; L592-T687 HydrophobicContact CD1-CG2 4.47Å; I628-T687 HydrophobicContact CG2-CG2 3.87Å; I632-T687 HydrophobicContact CD1-CG2 3.87Å; I683-T687 PolarHBondContact O-N 3.43Å; I683-T687 PolarHBondContact O-OG1 3.01Å; A684-T687 WeakPolarHBondContact O-CB 3.28Å; A684-T687 PolarHBondContact O-N 3.01Å; R685-T687 PolarHBondContact O-N 2.8Å; T687-Q689 PolarHBondContact O-N 3.4Å; T687-T690 PolarHBondContact O-N 2.95Å; T687-Y691 VanDerWaalsContact O-CB 3.3Å; T687-Y691 WeakPolarHBondContact O-CB 3.5Å; T687-Y691 PolarHBondContact O-N 3.28Å; T687-L716 HydrophobicContact CG2-CD1 4.46Å; T687-M720 HydrophobicContact CG2-CE 4.45Å
688M91.6Very high88.7Confident4 Ų425.1 Ų25.12%0.0213%0.126CC..Hα-helixtrans-62.6-42.8-178.7-70.8-172.9-79.500111.9A684 R685 Y691 C692 L716 M720 P727 S728 L731A684-M688 WeakPolarHBondContact O-CG 3.36Å; A684-M688 PolarHBondContact O-N 3.37Å; R685-M688 HydrophobicContact CG-CE 4.48Å; R685-M688 PolarHBondContact O-N 2.87Å; M688-Y691 PolarHBondContact O-N 3Å; M688-C692 PolarHBondContact O-N 3.35Å; M688-C692 PolarHBondContact O-SG 2.9Å; M688-L716 HydrophobicContact CG-CD2 4.44Å; M688-M720 HydrophobicContact CG-CE 4.24Å; M688-M720 HydrophobicContact SD-CG 4.12Å; M688-P727 HydrophobicContact SD-CB 4.42Å; M688-S728 PolarHBondContact SD-N 3.28Å; M688-L731 HydrophobicContact CB-CD2 4.42Å; M688-L731 HydrophobicContact CG-CD2 4.02Å; M688-L731 HydrophobicContact SD-CD2 4.12Å
689Q90.9Very high88.5Confident93 Ų9326.5 Ų26.544%0.43514%0.141SC..Hα-helixtrans-64.7-46.8177.8-178.2169.1-13.500111.5F661 R685 T687 Y691 C692 D693F661-Q689 HydrophobicContact CE1-CG 4.44Å; R685-Q689 WeakPolarHBondContact O-CB 3.35Å; R685-Q689 PolarHBondContact O-N 3.25Å; T687-Q689 PolarHBondContact O-N 3.4Å; Q689-Y691 VanDerWaalsContact C-N 3.27Å; Q689-Y691 PolarHBondContact O-N 3.44Å; Q689-C692 WeakPolarHBondContact O-CB 3.36Å; Q689-C692 PolarHBondContact O-N 3.4Å; Q689-D693 PolarHBondContact O-N 3.22Å
690T89.8Confident88.2Confident30 Ų3032.4 Ų32.418%0.18417%0.169CC..Hα-helixtrans-66.6-32179.4-580000111.7F585 L592 A686 T687 D693 A694F585-T690 HydrophobicContact CZ-CG2 4.23Å; F585-T690 VanDerWaalsContact CZ-OG1 3.27Å; F585-T690 WeakPolarHBondContact CZ-OG1 3.3Å; L592-T690 HydrophobicContact CB-CG2 4.47Å; L592-T690 HydrophobicContact CD1-CG2 3.77Å; A686-T690 VanDerWaalsContact O-CB 3.26Å; A686-T690 WeakPolarHBondContact O-CB 3.28Å; A686-T690 PolarHBondContact O-N 2.98Å; A686-T690 PolarHBondContact O-OG1 2.81Å; T687-T690 PolarHBondContact O-N 2.95Å; T690-D693 PolarHBondContact O-N 3.27Å; T690-A694 VanDerWaalsContact O-CB 3.3Å; T690-A694 WeakPolarHBondContact O-CB 3.23Å; T690-A694 PolarHBondContact O-N 3.37Å
691Y91.4Very high87.9Confident0 Ų032.6 Ų32.60%017%0.17CC..Hα-helixtrans-68.3-43.5173.9-173.7-149.3000111.4L592 V595 Y624 I625 T687 M688 Q689 D693 A694 I695 L709 D712 I713 L716 L731L592-Y691 HydrophobicContact CD2-CD2 3.53Å; L592-Y691 HydrophobicContact CD2-CE2 4.29Å; L592-Y691 HydrophobicContact CD2-CG 3.85Å; V595-Y691 HydrophobicContact CG1-CE2 4.43Å; V595-Y691 HydrophobicContact CG2-CE2 4.15Å; Y624-Y691 AromaticContact CE2-CE2 3.94Å; Y624-Y691 HydrophobicContact CE2-CE2 3.94Å; Y624-Y691 PolarHBondContact OH-OH 3.17Å; I625-Y691 HydrophobicContact CD1-CE1 4.08Å; T687-Y691 VanDerWaalsContact O-CB 3.3Å; T687-Y691 WeakPolarHBondContact O-CB 3.5Å; T687-Y691 PolarHBondContact O-N 3.28Å; M688-Y691 PolarHBondContact O-N 3Å; Q689-Y691 VanDerWaalsContact C-N 3.27Å; Q689-Y691 PolarHBondContact O-N 3.44Å; Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 3.3Å; Y691-A694 PolarHBondContact O-N 2.87Å; Y691-I695 HydrophobicContact CD1-CD1 4.25Å; Y691-I695 HydrophobicContact CD2-CD1 3.91Å; Y691-I695 HydrophobicContact CD2-CG1 4.03Å; Y691-I695 HydrophobicContact CE1-CD1 4.15Å; Y691-I695 HydrophobicContact CE2-CD1 3.8Å; Y691-I695 HydrophobicContact CE2-CG1 3.94Å; Y691-I695 HydrophobicContact CG-CD1 4.15Å; Y691-I695 WeakPolarHBondContact O-CD1 3.47Å; Y691-I695 VanDerWaalsContact O-CG1 3.23Å; Y691-I695 WeakPolarHBondContact O-CG1 3.33Å; Y691-I695 PolarHBondContact O-N 3.33Å; Y691-L709 HydrophobicContact CE2-CD1 4.27Å; Y691-L709 WeakPolarHBondContact OH-CD1 3.48Å; Y691-D712 WeakPolarHBondContact OH-CB 3.37Å; Y691-I713 HydrophobicContact CD1-CG1 4.47Å; Y691-I713 HydrophobicContact CE1-CB 4.29Å; Y691-I713 HydrophobicContact CE1-CG1 3.53Å; Y691-L716 HydrophobicContact CD1-CD2 3.56Å; Y691-L716 HydrophobicContact CE1-CD2 4.04Å; Y691-L716 HydrophobicContact CG-CD2 4.47Å; Y691-L731 HydrophobicContact CD1-CD1 3.93Å; Y691-L731 HydrophobicContact CE1-CD1 4.41Å
692C89.1Confident87.6Confident4 Ų436.5 Ų36.53%0.02719%0.194CC..Hα-helixtrans-56.6-47.3172.2-65.50000111M688 Q689 A694 I695 L696 T730 I734M688-C692 PolarHBondContact O-N 3.35Å; M688-C692 PolarHBondContact O-SG 2.9Å; Q689-C692 WeakPolarHBondContact O-CB 3.36Å; Q689-C692 PolarHBondContact O-N 3.4Å; C692-A694 PolarHBondContact O-N 3.43Å; C692-I695 PolarHBondContact O-N 3.42Å; C692-L696 VanDerWaalsContact O-CG 3.3Å; C692-L696 WeakPolarHBondContact O-CG 3.42Å; C692-L696 PolarHBondContact O-N 3.24Å; C692-L696 VanDerWaalsContact O-N 3.12Å; C692-T730 HydrophobicContact CB-CG2 4.25Å; C692-I734 HydrophobicContact CB-CD1 3.72Å
693D88.8Confident87Confident81 Ų8139.5 Ų39.543%0.43322%0.218SC..Hα-helixtrans-63.6-41.6179.2-68.1-22.5000111.7Q689 T690 Y691 I695 L696 L697Q689-D693 PolarHBondContact O-N 3.22Å; T690-D693 PolarHBondContact O-N 3.27Å; Y691-D693 VanDerWaalsContact C-N 3.32Å; Y691-D693 PolarHBondContact O-N 3.3Å; D693-I695 PolarHBondContact O-N 3.14Å; D693-L696 PolarHBondContact O-N 3.31Å; D693-L697 WeakPolarHBondContact O-CG 3.31Å; D693-L697 PolarHBondContact O-N 3.15Å
694A87.4Confident86.5Confident8 Ų844.2 Ų44.27%0.06624%0.24CC..Hα-helixtrans-63.9-38.317700000112.6V595 T690 Y691 C692 L696 L697V595-A694 HydrophobicContact CB-CB 4.47Å; T690-A694 VanDerWaalsContact O-CB 3.3Å; T690-A694 WeakPolarHBondContact O-CB 3.23Å; T690-A694 PolarHBondContact O-N 3.37Å; Y691-A694 PolarHBondContact O-N 2.87Å; C692-A694 PolarHBondContact O-N 3.43Å; A694-L696 VanDerWaalsContact C-N 3.34Å; A694-L697 PolarHBondContact O-N 2.88Å
695I86.6Confident86Confident1 Ų145.6 Ų45.61%0.00525%0.25CC..Hα-helixtrans-63.1-42175.1-70.7165.4000111Y691 C692 D693 L697 I698 L709 I713 I734Y691-I695 HydrophobicContact CD1-CD1 4.25Å; Y691-I695 HydrophobicContact CD2-CD1 3.91Å; Y691-I695 HydrophobicContact CD2-CG1 4.03Å; Y691-I695 HydrophobicContact CE1-CD1 4.15Å; Y691-I695 HydrophobicContact CE2-CD1 3.8Å; Y691-I695 HydrophobicContact CE2-CG1 3.94Å; Y691-I695 HydrophobicContact CG-CD1 4.15Å; Y691-I695 WeakPolarHBondContact O-CD1 3.47Å; Y691-I695 VanDerWaalsContact O-CG1 3.23Å; Y691-I695 WeakPolarHBondContact O-CG1 3.33Å; Y691-I695 PolarHBondContact O-N 3.33Å; C692-I695 PolarHBondContact O-N 3.42Å; D693-I695 PolarHBondContact O-N 3.14Å; I695-L697 PolarHBondContact O-N 3.13Å; I695-I698 WeakPolarHBondContact O-CB 3.42Å; I695-I698 WeakPolarHBondContact O-CG1 3.43Å; I695-I698 PolarHBondContact O-N 3.44Å; I695-L709 HydrophobicContact CB-CD2 4.5Å; I695-L709 HydrophobicContact CD1-CD1 4.08Å; I695-L709 HydrophobicContact CD1-CD2 4.27Å; I695-L709 HydrophobicContact CD1-CG 4.4Å; I695-L709 HydrophobicContact CG1-CD1 3.95Å; I695-L709 HydrophobicContact CG1-CD2 4.03Å; I695-L709 HydrophobicContact CG1-CG 4.46Å; I695-L709 HydrophobicContact CG2-CD2 3.74Å; I695-I713 HydrophobicContact CD1-CD1 3.95Å; I695-I713 HydrophobicContact CD1-CG1 4.21Å; I695-I734 HydrophobicContact CD1-CG2 4.43Å; I695-I734 HydrophobicContact CG2-CG2 4.24Å
696L86Confident85.7Confident54 Ų5443.9 Ų43.928%0.28324%0.244SC..Hα-helixtrans-70.6-10.5-179.6-64.8172.8000113.4C692 D693 A694 T759 I760C692-L696 VanDerWaalsContact O-CG 3.3Å; C692-L696 WeakPolarHBondContact O-CG 3.42Å; C692-L696 PolarHBondContact O-N 3.24Å; C692-L696 VanDerWaalsContact O-N 3.12Å; D693-L696 PolarHBondContact O-N 3.31Å; A694-L696 VanDerWaalsContact C-N 3.34Å; L696-T759 HydrophobicContact CD2-CG2 3.76Å; L696-I760 HydrophobicContact CD2-CG1 4.36Å
697L85.4Confident85.3Confident126 Ų12647.6 Ų47.666%0.6626%0.26SS*.THydrogen-bonded Turntrans-95.3-1.9176.1-69.1172.6000113.8D693 A694 I695D693-L697 WeakPolarHBondContact O-CG 3.31Å; D693-L697 PolarHBondContact O-N 3.15Å; A694-L697 PolarHBondContact O-N 2.88Å; I695-L697 PolarHBondContact O-N 3.13Å
698I84Confident85Confident13 Ų1348.3 Ų48.37%0.06726%0.264CS..  trans-65.4141.6174.6-60.7171.7000108.6V595 I695 E700 L701 L709 L763V595-I698 HydrophobicContact CG1-CD1 3.98Å; V595-I698 HydrophobicContact CG1-CG1 4.44Å; I695-I698 WeakPolarHBondContact O-CB 3.42Å; I695-I698 WeakPolarHBondContact O-CG1 3.43Å; I695-I698 PolarHBondContact O-N 3.44Å; I698-E700 WeakPolarHBondContact CG2-O 2.83Å; I698-L701 HydrophobicContact CD1-CD2 4.04Å; I698-L701 HydrophobicContact CG2-CD2 3.9Å; I698-L701 HydrophobicContact CG2-CG 4.21Å; I698-L709 HydrophobicContact CD1-CD2 4.33Å; I698-L763 WeakPolarHBondContact O-CD2 3.31Å
699P78.9Confident84.8Confident81 Ų8148.4 Ų48.453%0.52626%0.264SS..SBendtrans-75.3-50.1179.3-12.627.8000113E599E599-P699 WeakPolarHBondContact OE1-CB 3.35Å; E599-P699 WeakPolarHBondContact OE1-CD 3.29Å; E599-P699 WeakPolarHBondContact OE2-CB 3.46Å; E599-P699 VanDerWaalsContact OE2-CG 3.31Å; E599-P699 WeakPolarHBondContact OE2-CG 3.4Å
700E80.7Confident84.6Confident129 Ų12944.3 Ų44.360%0.60325%0.247SC*.  trans-147.3145.7-176.2-166.7174179.200111.1E599 I698 L763E599-E700 VanDerWaalsContact OE1-CA 3.31Å; E599-E700 WeakPolarHBondContact OE1-CA 3.45Å; E599-E700 WeakPolarHBondContact OE1-CB 3.49Å; E599-E700 PolarHBondContact OE1-N 2.53Å; I698-E700 WeakPolarHBondContact CG2-O 2.83Å; E700-L763 CarbonylContact C-O 3.52Å
701L82.3Confident84.5Confident13 Ų1343.9 Ų43.97%0.06824%0.244CC..  trans-119.2117.6180-72.4173.7000110.6I698 L738 L763 R764I698-L701 HydrophobicContact CD1-CD2 4.04Å; I698-L701 HydrophobicContact CG2-CD2 3.9Å; I698-L701 HydrophobicContact CG2-CG 4.21Å; L701-L738 HydrophobicContact CD1-CD2 3.94Å; L701-L763 HydrophobicContact CD1-CB 3.87Å; L701-L763 HydrophobicContact CD1-CD1 4.24Å; L701-L763 HydrophobicContact CG-CB 4.2Å; L701-L763 PolarHBondContact N-O 3.13Å; L701-R764 HydrophobicContact CB-CG 4.38Å; L701-R764 HydrophobicContact CD1-CG 4.34Å
702T81.4Confident84.5Confident83 Ų8344 Ų4451%0.50924%0.244SC..  trans-72.9164.8168.967.30000111.2H704 S705 T706T702-H704 PolarHBondContact O-N 3.36Å; T702-S705 PolarHBondContact N-OG 3.12Å; T702-S705 PolarHBondContact O-N 3.22Å; T702-S705 PolarHBondContact O-OG 3.34Å; T702-S705 PolarHBondContact OG1-N 3.38Å; T702-S705 VanDerWaalsContact OG1-N 3.16Å; T702-S705 PolarHBondContact OG1-OG 3.03Å; T702-T706 WeakPolarHBondContact O-CB 3.36Å; T702-T706 PolarHBondContact O-N 3.2Å; T702-T706 PolarHBondContact O-OG1 2.76Å
703A77.8Confident84.5Confident63 Ų6343.8 Ų43.852%0.52124%0.243SC..Hα-helixtrans-59.3-36.2176.100000112.4K707A703-K707 WeakPolarHBondContact O-CG 3.43Å; A703-K707 PolarHBondContact O-N 3.49Å
704H80.3Confident84.6Confident99 Ų9942.2 Ų42.246%0.45824%0.235SC..Hα-helixtrans-69.7-48.3175.6-178-99000111.8T702 T706 K707 Q708T702-H704 PolarHBondContact O-N 3.36Å; H704-T706 VanDerWaalsContact C-N 3.28Å; H704-T706 PolarHBondContact O-N 3.28Å; H704-K707 PolarHBondContact O-N 2.95Å; H704-Q708 WeakPolarHBondContact O-CB 3.15Å; H704-Q708 PolarHBondContact O-N 3.31Å
705S79.5Confident84.8Confident29 Ų2944.6 Ų44.620%0.20324%0.242CC..Hα-helixtrans-66.7-30.1179.268.50000112.7T702 Q708 L709T702-S705 PolarHBondContact N-OG 3.12Å; T702-S705 PolarHBondContact O-N 3.22Å; T702-S705 PolarHBondContact O-OG 3.34Å; T702-S705 PolarHBondContact OG1-N 3.38Å; T702-S705 VanDerWaalsContact OG1-N 3.16Å; T702-S705 PolarHBondContact OG1-OG 3.03Å; S705-Q708 PolarHBondContact O-N 3.21Å; S705-L709 VanDerWaalsContact O-CB 3.27Å; S705-L709 WeakPolarHBondContact O-CB 3.47Å; S705-L709 PolarHBondContact O-N 3.5Å
706T83.5Confident85Confident10 Ų1044.6 Ų44.66%0.06124%0.242CC..Hα-helixtrans-62.8-46.8171.8-57.60000111.8T702 H704 A710 L738T702-T706 WeakPolarHBondContact O-CB 3.36Å; T702-T706 PolarHBondContact O-N 3.2Å; T702-T706 PolarHBondContact O-OG1 2.76Å; H704-T706 VanDerWaalsContact C-N 3.28Å; H704-T706 PolarHBondContact O-N 3.28Å; T706-A710 PolarHBondContact O-N 3.01Å; T706-L738 HydrophobicContact CG2-CB 4.22Å; T706-L738 HydrophobicContact CG2-CD2 4.07Å; T706-L738 VanDerWaalsContact CG2-O 3.28Å; T706-L738 WeakPolarHBondContact CG2-O 3.43Å
707K83.2Confident85.3Confident78 Ų7842.8 Ų42.834%0.33923%0.234SC..Hα-helixtrans-66.5-39176.6-71.8177.7-177.6175.70111.6E612 L619 A703 H704 T711E612-K707 PolarHBondContact O-NZ 3.06Å; E612-K707 VanDerWaalsContact O-NZ 3.15Å; L619-K707 HydrophobicContact CD1-CB 3.74Å; A703-K707 WeakPolarHBondContact O-CG 3.43Å; A703-K707 PolarHBondContact O-N 3.49Å; H704-K707 PolarHBondContact O-N 2.95Å; K707-T711 PolarHBondContact O-N 3.18Å; K707-T711 PolarHBondContact O-OG1 3.44Å
708Q85.8Confident85.6Confident15 Ų1541.8 Ų41.87%0.0723%0.23CC..Hα-helixtrans-65-47.3176.9-176.662.25100111.9S620 Q622 H704 S705 A710 T711 D712S620-Q708 PolarHBondContact O-NE2 3.33Å; Q622-Q708 HydrophobicContact CG-CG 3.96Å; H704-Q708 WeakPolarHBondContact O-CB 3.15Å; H704-Q708 PolarHBondContact O-N 3.31Å; S705-Q708 PolarHBondContact O-N 3.21Å; Q708-A710 VanDerWaalsContact C-N 3.3Å; Q708-A710 PolarHBondContact O-N 3.37Å; Q708-T711 WeakPolarHBondContact O-CA 3.3Å; Q708-T711 WeakPolarHBondContact O-CB 3.38Å; Q708-T711 PolarHBondContact O-N 3.12Å; Q708-D712 PolarHBondContact NE2-OD1 3.1Å; Q708-D712 PolarHBondContact O-N 3.21Å
709L86.9Confident85.9Confident6 Ų641.7 Ų41.73%0.03123%0.23CC..Hα-helixtrans-63-37.5179.9-173.466.5000111.8Y691 I695 I698 S705 T711 D712 I713 L738Y691-L709 HydrophobicContact CE2-CD1 4.27Å; Y691-L709 WeakPolarHBondContact OH-CD1 3.48Å; I695-L709 HydrophobicContact CB-CD2 4.5Å; I695-L709 HydrophobicContact CD1-CD1 4.08Å; I695-L709 HydrophobicContact CD1-CD2 4.27Å; I695-L709 HydrophobicContact CD1-CG 4.4Å; I695-L709 HydrophobicContact CG1-CD1 3.95Å; I695-L709 HydrophobicContact CG1-CD2 4.03Å; I695-L709 HydrophobicContact CG1-CG 4.46Å; I695-L709 HydrophobicContact CG2-CD2 3.74Å; I698-L709 HydrophobicContact CD1-CD2 4.33Å; S705-L709 VanDerWaalsContact O-CB 3.27Å; S705-L709 WeakPolarHBondContact O-CB 3.47Å; S705-L709 PolarHBondContact O-N 3.5Å; L709-T711 VanDerWaalsContact C-N 3.31Å; L709-T711 PolarHBondContact O-N 2.92Å; L709-D712 PolarHBondContact O-N 2.58Å; L709-I713 HydrophobicContact CG-CD1 4.14Å; L709-I713 WeakPolarHBondContact O-CD1 3.34Å; L709-I713 WeakPolarHBondContact O-CG1 3.35Å; L709-I713 PolarHBondContact O-N 3.34Å; L709-L738 HydrophobicContact CB-CD1 4.33Å; L709-L738 HydrophobicContact CD2-CD1 3.64Å; L709-L738 HydrophobicContact CD2-CD2 4.27Å; L709-L738 HydrophobicContact CG-CD1 3.9Å
710A88Confident86.4Confident8 Ų837.9 Ų37.97%0.06621%0.205CC..Hα-helixtrans-60.1-42.3172.100000111.9T706 Q708 I713 D714 R739T706-A710 PolarHBondContact O-N 3.01Å; Q708-A710 VanDerWaalsContact C-N 3.3Å; Q708-A710 PolarHBondContact O-N 3.37Å; A710-I713 PolarHBondContact O-N 3.42Å; A710-D714 VanDerWaalsContact O-CG 3.23Å; A710-D714 PolarHBondContact O-N 3.49Å; A710-R739 HydrophobicContact CB-CG 4.25Å
711T88.3Confident86.8Confident21 Ų2135.3 Ų35.313%0.12920%0.195CC..Hα-helixtrans-64.9-40.9177.4-52.90000111.9L619 K707 Q708 L709 D714 Y715L619-T711 HydrophobicContact CB-CG2 4.4Å; K707-T711 PolarHBondContact O-N 3.18Å; K707-T711 PolarHBondContact O-OG1 3.44Å; Q708-T711 WeakPolarHBondContact O-CA 3.3Å; Q708-T711 WeakPolarHBondContact O-CB 3.38Å; Q708-T711 PolarHBondContact O-N 3.12Å; L709-T711 VanDerWaalsContact C-N 3.31Å; L709-T711 PolarHBondContact O-N 2.92Å; T711-D714 PolarHBondContact O-N 3.31Å; T711-Y715 PolarHBondContact O-N 2.92Å; T711-Y715 VanDerWaalsContact O-N 3.1Å
712D90Very high87.1Confident1 Ų138.1 Ų38.11%0.00522%0.22CC..Hα-helixtrans-65.6-41.4177.3-66.6-17.4000111.7P621 Q622 Y624 I625 Y691 Q708 L709 Y715 L716P621-D712 WeakPolarHBondContact CA-OD1 3.47Å; Q622-D712 PolarHBondContact N-OD1 2.72Å; Y624-D712 VanDerWaalsContact CE1-OD2 3.31Å; Y624-D712 WeakPolarHBondContact CE1-OD2 3.42Å; Y624-D712 WeakPolarHBondContact OH-CB 3.4Å; Y624-D712 PolarHBondContact OH-OD2 3.43Å; I625-D712 HydrophobicContact CB-CB 4.31Å; I625-D712 HydrophobicContact CG1-CB 4.38Å; I625-D712 HydrophobicContact CG2-CB 3.83Å; Y691-D712 WeakPolarHBondContact OH-CB 3.37Å; Q708-D712 PolarHBondContact NE2-OD1 3.1Å; Q708-D712 PolarHBondContact O-N 3.21Å; L709-D712 PolarHBondContact O-N 2.58Å; D712-Y715 PolarHBondContact O-N 3.33Å; D712-L716 PolarHBondContact O-N 2.96Å; D712-L716 VanDerWaalsContact O-N 3.1Å
713I90.4Very high87.3Confident0 Ų035.8 Ų35.80%021%0.205CC..Hα-helixtrans-67.9-37.6176.8-59.1159.8000111.7Y691 I695 L709 A710 Y715 L716 S717 L731 I734 V735 L738Y691-I713 HydrophobicContact CD1-CG1 4.47Å; Y691-I713 HydrophobicContact CE1-CB 4.29Å; Y691-I713 HydrophobicContact CE1-CG1 3.53Å; I695-I713 HydrophobicContact CD1-CD1 3.95Å; I695-I713 HydrophobicContact CD1-CG1 4.21Å; L709-I713 HydrophobicContact CG-CD1 4.14Å; L709-I713 WeakPolarHBondContact O-CD1 3.34Å; L709-I713 WeakPolarHBondContact O-CG1 3.35Å; L709-I713 PolarHBondContact O-N 3.34Å; A710-I713 PolarHBondContact O-N 3.42Å; I713-Y715 VanDerWaalsContact C-N 3.3Å; I713-Y715 PolarHBondContact O-N 3.02Å; I713-L716 PolarHBondContact O-N 3.1Å; I713-S717 WeakPolarHBondContact O-CB 3.45Å; I713-S717 PolarHBondContact O-N 3.46Å; I713-S717 PolarHBondContact O-OG 3.39Å; I713-L731 HydrophobicContact CG1-CD1 4.29Å; I713-L731 HydrophobicContact CG2-CD1 3.56Å; I713-L731 HydrophobicContact CG2-CD2 3.93Å; I713-L731 HydrophobicContact CG2-CG 3.52Å; I713-I734 HydrophobicContact CD1-CG2 4.1Å; I713-V735 HydrophobicContact CB-CG2 3.52Å; I713-V735 HydrophobicContact CD1-CG2 3.62Å; I713-V735 HydrophobicContact CG1-CG2 4.15Å; I713-V735 HydrophobicContact CG2-CG2 3.1Å; I713-L738 HydrophobicContact CD1-CD1 3.66Å
714D89.8Confident87.6Confident48 Ų4835.7 Ų35.726%0.25721%0.209SC..Hα-helixtrans-61.1-42174.7-70.3-45.3000111.3A710 T711 S717 N718 R739A710-D714 VanDerWaalsContact O-CG 3.23Å; A710-D714 PolarHBondContact O-N 3.49Å; T711-D714 PolarHBondContact O-N 3.31Å; D714-S717 PolarHBondContact O-N 2.97Å; D714-N718 PolarHBondContact O-N 3.19Å; D714-N718 PolarHBondContact O-ND2 3.03Å; D714-N718 VanDerWaalsContact O-ND2 3.12Å; D714-R739 IonicContact OD1-CZ 2.7Å; D714-R739 IonicContact OD1-NH2 3.07Å; D714-R739 PolarHBondContact OD1-NH2 3.19Å; D714-R739 IonicContact OD2-CZ 2.62Å; D714-R739 IonicContact OD2-NH2 3.31Å; D714-R739 PolarHBondContact OD2-NH2 2.93Å
715Y92.3Very high87.8Confident59 Ų5931.3 Ų31.323%0.23119%0.189CC..Hα-helixtrans-59.6-49.2175.2176.2-95.4000111.6P621 I625 T626 T711 D712 I713 S717 N718 V719P621-Y715 HydrophobicContact CB-CD1 4.42Å; P621-Y715 HydrophobicContact CB-CD2 4.24Å; P621-Y715 HydrophobicContact CB-CG 3.93Å; P621-Y715 HydrophobicContact CG-CD2 3.8Å; P621-Y715 HydrophobicContact CG-CG 3.85Å; I625-Y715 HydrophobicContact CG1-CD1 4.18Å; I625-Y715 HydrophobicContact CG2-CD1 4.13Å; I625-Y715 WeakPolarHBondContact O-CE1 3.33Å; T626-Y715 HydrophobicContact CG2-CE1 4.24Å; T711-Y715 PolarHBondContact O-N 2.92Å; T711-Y715 VanDerWaalsContact O-N 3.1Å; D712-Y715 PolarHBondContact O-N 3.33Å; I713-Y715 VanDerWaalsContact C-N 3.3Å; I713-Y715 PolarHBondContact O-N 3.02Å; Y715-S717 VanDerWaalsContact C-N 3.3Å; Y715-S717 PolarHBondContact O-N 2.92Å; Y715-N718 PolarHBondContact O-N 3.39Å; Y715-V719 HydrophobicContact CD1-CG2 4.33Å; Y715-V719 HydrophobicContact CE1-CG2 3.86Å; Y715-V719 HydrophobicContact CE2-CG2 4.4Å; Y715-V719 WeakPolarHBondContact O-CG2 3.27Å; Y715-V719 PolarHBondContact O-N 3.46Å
716L91.3Very high88Confident0 Ų036.1 Ų36.10%021%0.209CC..Hα-helixtrans-60.8-40.8177.2-173.567.6000111.8I625 I628 T687 M688 Y691 D712 I713 N718 V719 M720 L731I625-L716 HydrophobicContact CD1-CB 4.07Å; I625-L716 HydrophobicContact CD1-CD1 4.16Å; I625-L716 HydrophobicContact CD1-CD2 4.22Å; I625-L716 HydrophobicContact CD1-CG 4.38Å; I625-L716 HydrophobicContact CG1-CB 4.21Å; I628-L716 HydrophobicContact CG2-CD1 4.26Å; T687-L716 HydrophobicContact CG2-CD1 4.46Å; M688-L716 HydrophobicContact CG-CD2 4.44Å; Y691-L716 HydrophobicContact CD1-CD2 3.56Å; Y691-L716 HydrophobicContact CE1-CD2 4.04Å; Y691-L716 HydrophobicContact CG-CD2 4.47Å; D712-L716 PolarHBondContact O-N 2.96Å; D712-L716 VanDerWaalsContact O-N 3.1Å; I713-L716 PolarHBondContact O-N 3.1Å; L716-N718 PolarHBondContact O-N 3.18Å; L716-V719 WeakPolarHBondContact O-CB 3.34Å; L716-V719 PolarHBondContact O-N 3.17Å; L716-M720 HydrophobicContact CD1-CE 3.62Å; L716-M720 HydrophobicContact CG-CE 4.05Å; L716-M720 WeakPolarHBondContact O-CG 3.46Å; L716-M720 PolarHBondContact O-N 3.37Å; L716-L731 HydrophobicContact CD2-CD2 4.33Å
717S91.3Very high88Confident17 Ų1736.4 Ų36.412%0.11921%0.211CC..Hα-helixtrans-61.7-44178.3-56.70000111.3I713 D714 Y715 V719 M720 D721I713-S717 WeakPolarHBondContact O-CB 3.45Å; I713-S717 PolarHBondContact O-N 3.46Å; I713-S717 PolarHBondContact O-OG 3.39Å; D714-S717 PolarHBondContact O-N 2.97Å; Y715-S717 VanDerWaalsContact C-N 3.3Å; Y715-S717 PolarHBondContact O-N 2.92Å; S717-V719 VanDerWaalsContact C-N 3.32Å; S717-V719 PolarHBondContact O-N 2.91Å; S717-M720 PolarHBondContact O-N 2.9Å; S717-D721 PolarHBondContact O-N 3.42Å
718N91.1Very high88.2Confident104 Ų10434.3 Ų34.356%0.55621%0.206SC*.Hα-helixtrans-63.7-35.6175.4-67.2-32.4000112.6D714 Y715 L716 A722D714-N718 PolarHBondContact O-N 3.19Å; D714-N718 PolarHBondContact O-ND2 3.03Å; D714-N718 VanDerWaalsContact O-ND2 3.12Å; Y715-N718 PolarHBondContact O-N 3.39Å; L716-N718 PolarHBondContact O-N 3.18Å; N718-A722 WeakPolarHBondContact O-CB 3.39Å; N718-A722 PolarHBondContact O-N 2.91Å
719V91.6Very high88.2Confident12 Ų1241.2 Ų41.27%0.07323%0.231CC..Hα-helixtrans-65.2-43.4174.6170.80000110.9M633 Y715 L716 S717 A722 L723M633-V719 HydrophobicContact CG-CG1 3.9Å; M633-V719 HydrophobicContact SD-CG1 4.07Å; Y715-V719 HydrophobicContact CD1-CG2 4.33Å; Y715-V719 HydrophobicContact CE1-CG2 3.86Å; Y715-V719 HydrophobicContact CE2-CG2 4.4Å; Y715-V719 WeakPolarHBondContact O-CG2 3.27Å; Y715-V719 PolarHBondContact O-N 3.46Å; L716-V719 WeakPolarHBondContact O-CB 3.34Å; L716-V719 PolarHBondContact O-N 3.17Å; S717-V719 VanDerWaalsContact C-N 3.32Å; S717-V719 PolarHBondContact O-N 2.91Å; V719-A722 PolarHBondContact O-N 3.35Å; V719-L723 HydrophobicContact CG1-CD1 4.24Å; V719-L723 WeakPolarHBondContact O-CG 3.43Å; V719-L723 PolarHBondContact O-N 3.07Å
720M89.8Confident88.2Confident0 Ų044 Ų440%025%0.248CC..Hα-helixtrans-62.8-45.5176.4-62.3-59.4164.100111.2I632 A684 T687 M688 L716 S717 A722 L723 G724 L725I632-M720 HydrophobicContact CD1-CE 3.88Å; A684-M720 HydrophobicContact CB-CE 4.18Å; A684-M720 HydrophobicContact CB-SD 3.57Å; A684-M720 VanDerWaalsContact CB-SD 3.57Å; T687-M720 HydrophobicContact CG2-CE 4.45Å; M688-M720 HydrophobicContact CG-CE 4.24Å; M688-M720 HydrophobicContact SD-CG 4.12Å; L716-M720 HydrophobicContact CD1-CE 3.62Å; L716-M720 HydrophobicContact CG-CE 4.05Å; L716-M720 WeakPolarHBondContact O-CG 3.46Å; L716-M720 PolarHBondContact O-N 3.37Å; S717-M720 PolarHBondContact O-N 2.9Å; M720-A722 VanDerWaalsContact C-N 3.3Å; M720-A722 PolarHBondContact O-N 3.47Å; M720-L723 CarbonylContact O-C 3.6Å; M720-L723 PolarHBondContact O-N 3.5Å; M720-G724 PolarHBondContact O-N 3.3Å; M720-L725 CarbonylContact C-O 3.54Å; M720-L725 VanDerWaalsContact C-O 3.25Å; M720-L725 HydrophobicContact CB-CB 4.32Å; M720-L725 PolarHBondContact O-N 3.46Å; M720-L725 VanDerWaalsContact O-O 3.11Å; M720-L725 HydrophobicContact SD-CD1 4.29Å
721D88.8Confident88.1Confident75 Ų7543.6 Ų43.640%0.40125%0.245SC..Hα-helixtrans-60.4-39.4177.2-72.2-24.6000111.7S717 L723 G724 L725 P727S717-D721 PolarHBondContact O-N 3.42Å; D721-L723 PolarHBondContact O-N 3Å; D721-G724 PolarHBondContact O-N 3.36Å; D721-L725 PolarHBondContact N-O 3.34Å; D721-P727 WeakPolarHBondContact OD1-CD 3.37Å
722A87.7Confident88.1Confident72 Ų7247 Ų4760%0.59526%0.26SS*.Hα-helixtrans-65-26.3176.600000113.4N718 V719 M720 G724N718-A722 WeakPolarHBondContact O-CB 3.39Å; N718-A722 PolarHBondContact O-N 2.91Å; V719-A722 PolarHBondContact O-N 3.35Å; M720-A722 VanDerWaalsContact C-N 3.3Å; M720-A722 PolarHBondContact O-N 3.47Å; A722-G724 VanDerWaalsContact C-N 3.31Å
723L85.4Confident88Confident35 Ų3549.2 Ų49.218%0.18327%0.27CS..THydrogen-bonded Turntrans-88.63.3174.4-66.7168.8000112.9I632 M633 P636 L680 V719 M720 D721 L725I632-L723 HydrophobicContact CG2-CD1 3.52Å; M633-L723 HydrophobicContact CE-CD2 4.46Å; M633-L723 HydrophobicContact SD-CD1 4.03Å; M633-L723 HydrophobicContact SD-CD2 3.61Å; M633-L723 HydrophobicContact SD-CG 3.64Å; P636-L723 HydrophobicContact CG-CD2 4.06Å; L680-L723 HydrophobicContact CD2-CB 4.4Å; L680-L723 HydrophobicContact CD2-CD2 4.41Å; V719-L723 HydrophobicContact CG1-CD1 4.24Å; V719-L723 WeakPolarHBondContact O-CG 3.43Å; V719-L723 PolarHBondContact O-N 3.07Å; M720-L723 CarbonylContact O-C 3.6Å; M720-L723 PolarHBondContact O-N 3.5Å; D721-L723 PolarHBondContact O-N 3Å; L723-L725 VanDerWaalsContact C-N 3.29Å; L723-L725 HydrophobicContact CB-CD1 4.4Å; L723-L725 HydrophobicContact CB-CG 4.25Å
724G84.1Confident87.9Confident60 Ų6049.2 Ų49.262%0.61927%0.27SS*.THydrogen-bonded Turntrans77.610.9-177.800000114.4M720 D721 A722M720-G724 PolarHBondContact O-N 3.3Å; D721-G724 PolarHBondContact O-N 3.36Å; A722-G724 VanDerWaalsContact C-N 3.31Å
725L85.4Confident87.8Confident7 Ų747.5 Ų47.54%0.03726%0.261CS..PPolyproline II helixtrans-99150.7-179.2-54.8179.3000110.9E671 L680 A684 M720 D721 L723E671-L725 HydrophobicContact CG-CD2 4.04Å; E671-L725 WeakPolarHBondContact OE1-CD2 3.46Å; L680-L725 HydrophobicContact CG-CD1 4.23Å; A684-L725 HydrophobicContact CB-CD1 3.25Å; M720-L725 CarbonylContact C-O 3.54Å; M720-L725 VanDerWaalsContact C-O 3.25Å; M720-L725 HydrophobicContact CB-CB 4.32Å; M720-L725 PolarHBondContact O-N 3.46Å; M720-L725 VanDerWaalsContact O-O 3.11Å; M720-L725 HydrophobicContact SD-CD1 4.29Å; D721-L725 PolarHBondContact N-O 3.34Å; L723-L725 VanDerWaalsContact C-N 3.29Å; L723-L725 HydrophobicContact CB-CD1 4.4Å; L723-L725 HydrophobicContact CB-CG 4.25Å
726Q83.6Confident87.5Confident131 Ų13148 Ų4861%0.61227%0.27SS*.PPolyproline II helixtrans-94.9137.2178-66.7-61.8-56.200112.2
727P83.8Confident87.3Confident16 Ų1648 Ų4810%0.10427%0.27CS..PPolyproline II helixtrans-64.1140.317514-17.3000111.3M688 D721 Q732M688-P727 HydrophobicContact SD-CB 4.42Å; D721-P727 WeakPolarHBondContact OD1-CD 3.37Å; P727-Q732 HydrophobicContact CB-CG 4.3Å; P727-Q732 HydrophobicContact CG-CG 4.48Å; P727-Q732 PolarHBondContact O-NE2 2.66Å
728S86.6Confident86.9Confident33 Ų3347.5 Ų47.523%0.23127%0.266CS..PPolyproline II helixtrans-62.7146.7-176810000111.7M688 T730 L731 Q732M688-S728 PolarHBondContact SD-N 3.28Å; S728-T730 PolarHBondContact O-N 2.87Å; S728-L731 WeakPolarHBondContact O-CB 3.27Å; S728-L731 PolarHBondContact O-N 3.21Å; S728-L731 VanDerWaalsContact OG-CB 3.31Å; S728-L731 WeakPolarHBondContact OG-CB 3.41Å; S728-L731 PolarHBondContact OG-N 2.88Å; S728-Q732 WeakPolarHBondContact O-CG 3.46Å; S728-Q732 PolarHBondContact O-N 3.26Å
729R86.3Confident86.7Confident161 Ų16149.7 Ų49.761%0.60827%0.267SS*.Hα-helixtrans-55.3-42.9178.8-65.7-178.6-176.5168.45.8111.2L731 Q732 Q733R729-L731 PolarHBondContact O-N 3.37Å; R729-Q732 PolarHBondContact O-N 2.89Å; R729-Q733 WeakPolarHBondContact O-CG 3.49Å; R729-Q733 PolarHBondContact O-N 3.45Å
730T85.8Confident86.3Confident63 Ų6349.4 Ų49.439%0.38727%0.266SS..Hα-helixtrans-59.9-44.3178-50.10000111.8C692 S728 Q733 I734 L756C692-T730 HydrophobicContact CB-CG2 4.25Å; S728-T730 PolarHBondContact O-N 2.87Å; T730-Q733 PolarHBondContact O-N 3.38Å; T730-I734 HydrophobicContact CG2-CD1 4.21Å; T730-I734 VanDerWaalsContact O-CG1 3.3Å; T730-I734 WeakPolarHBondContact O-CG1 3.47Å; T730-I734 PolarHBondContact O-N 3.08Å; T730-L756 HydrophobicContact CG2-CD1 3.67Å
731L87.8Confident85.9Confident1 Ų155.5 Ų55.51%0.00529%0.292CS..Hα-helixtrans-63.6-44.3179.5-169.868.1000111.3M688 Y691 I713 L716 S728 R729 Q733 I734 V735M688-L731 HydrophobicContact CB-CD2 4.42Å; M688-L731 HydrophobicContact CG-CD2 4.02Å; M688-L731 HydrophobicContact SD-CD2 4.12Å; Y691-L731 HydrophobicContact CD1-CD1 3.93Å; Y691-L731 HydrophobicContact CE1-CD1 4.41Å; I713-L731 HydrophobicContact CG1-CD1 4.29Å; I713-L731 HydrophobicContact CG2-CD1 3.56Å; I713-L731 HydrophobicContact CG2-CD2 3.93Å; I713-L731 HydrophobicContact CG2-CG 3.52Å; L716-L731 HydrophobicContact CD2-CD2 4.33Å; S728-L731 WeakPolarHBondContact O-CB 3.27Å; S728-L731 PolarHBondContact O-N 3.21Å; S728-L731 VanDerWaalsContact OG-CB 3.31Å; S728-L731 WeakPolarHBondContact OG-CB 3.41Å; S728-L731 PolarHBondContact OG-N 2.88Å; R729-L731 PolarHBondContact O-N 3.37Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 2.94Å; L731-I734 PolarHBondContact O-N 3.39Å; L731-V735 WeakPolarHBondContact O-CG2 3.3Å; L731-V735 PolarHBondContact O-N 3.22Å
732Q88.3Confident85.3Confident92 Ų9256 Ų5643%0.4330%0.3SS..Hα-helixtrans-61-39.3175.5-66.1175.7-5.600112.3P727 S728 R729 T736P727-Q732 HydrophobicContact CB-CG 4.3Å; P727-Q732 HydrophobicContact CG-CG 4.48Å; P727-Q732 PolarHBondContact O-NE2 2.66Å; S728-Q732 WeakPolarHBondContact O-CG 3.46Å; S728-Q732 PolarHBondContact O-N 3.26Å; R729-Q732 PolarHBondContact O-N 2.89Å; Q732-T736 WeakPolarHBondContact O-CB 3.34Å; Q732-T736 PolarHBondContact O-N 3.41Å; Q732-T736 PolarHBondContact O-OG1 3.18Å
733Q87.9Confident84.8Confident48 Ų4861.1 Ų61.122%0.22431%0.311CS..Hα-helixtrans-67.7-39.6177.3-66.9172.6-0.100112R729 T730 L731 T736 L737 L752 P753 L756R729-Q733 WeakPolarHBondContact O-CG 3.49Å; R729-Q733 PolarHBondContact O-N 3.45Å; T730-Q733 PolarHBondContact O-N 3.38Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 2.94Å; Q733-T736 PolarHBondContact O-N 2.94Å; Q733-L737 WeakPolarHBondContact O-CG 3.25Å; Q733-L737 PolarHBondContact O-N 3.15Å; Q733-L737 VanDerWaalsContact O-N 3.11Å; Q733-L752 HydrophobicContact CB-CD2 4.02Å; Q733-L752 HydrophobicContact CG-CD2 3.57Å; Q733-P753 VanDerWaalsContact OE1-CD 3.22Å; Q733-P753 VanDerWaalsContact OE1-CG 3.32Å; Q733-L756 HydrophobicContact CB-CD2 4.39Å
734I86.8Confident84.5Confident0 Ų063.7 Ų63.70%032%0.323CS..Hα-helixtrans-61.2-49.8174.8-68.3170.1000110.3C692 I695 I713 T730 L731 T736 L737 L738 L756 I760C692-I734 HydrophobicContact CB-CD1 3.72Å; I695-I734 HydrophobicContact CD1-CG2 4.43Å; I695-I734 HydrophobicContact CG2-CG2 4.24Å; I713-I734 HydrophobicContact CD1-CG2 4.1Å; T730-I734 HydrophobicContact CG2-CD1 4.21Å; T730-I734 VanDerWaalsContact O-CG1 3.3Å; T730-I734 WeakPolarHBondContact O-CG1 3.47Å; T730-I734 PolarHBondContact O-N 3.08Å; L731-I734 PolarHBondContact O-N 3.39Å; I734-T736 VanDerWaalsContact C-N 3.29Å; I734-T736 PolarHBondContact O-N 3.29Å; I734-L737 PolarHBondContact O-N 2.94Å; I734-L737 VanDerWaalsContact O-N 3.11Å; I734-L738 HydrophobicContact CG2-CD1 3.74Å; I734-L738 HydrophobicContact CG2-CG 4.18Å; I734-L738 WeakPolarHBondContact O-CG 3.3Å; I734-L738 PolarHBondContact O-N 3.21Å; I734-L756 HydrophobicContact CD1-CD1 4.37Å; I734-L756 HydrophobicContact CG1-CD1 3.93Å; I734-L756 HydrophobicContact CG1-CD2 4.15Å; I734-L756 HydrophobicContact CG1-CG 4.34Å; I734-I760 HydrophobicContact CB-CD1 4.26Å; I734-I760 HydrophobicContact CG1-CD1 4Å; I734-I760 HydrophobicContact CG2-CD1 4.16Å
735V88Confident84.4Confident11 Ų1161 Ų617%0.06729%0.294CS..Hα-helixtrans-58.7-42.2178.1176.60000111.8I713 L731 L737 L738 R739I713-V735 HydrophobicContact CB-CG2 3.52Å; I713-V735 HydrophobicContact CD1-CG2 3.62Å; I713-V735 HydrophobicContact CG1-CG2 4.15Å; I713-V735 HydrophobicContact CG2-CG2 3.1Å; L731-V735 WeakPolarHBondContact O-CG2 3.3Å; L731-V735 PolarHBondContact O-N 3.22Å; V735-L737 VanDerWaalsContact C-N 3.28Å; V735-L737 PolarHBondContact O-N 3.3Å; V735-L738 PolarHBondContact O-N 3.38Å; V735-R739 HydrophobicContact CG1-CG 4.33Å; V735-R739 WeakPolarHBondContact O-CB 3.49Å; V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.29Å
736T86.9Confident84Confident70 Ų7067.8 Ų67.843%0.42932%0.319SS..Hα-helixtrans-59.7-40.4178.2-570000111.3Q732 Q733 I734 A740 L752Q732-T736 WeakPolarHBondContact O-CB 3.34Å; Q732-T736 PolarHBondContact O-N 3.41Å; Q732-T736 PolarHBondContact O-OG1 3.18Å; Q733-T736 PolarHBondContact O-N 2.94Å; I734-T736 VanDerWaalsContact C-N 3.29Å; I734-T736 PolarHBondContact O-N 3.29Å; T736-A740 PolarHBondContact O-N 3.47Å; T736-L752 HydrophobicContact CG2-CD1 4.47Å
737L85.6Confident83.8Confident0 Ų068.3 Ų68.30%032%0.321CS..Hα-helixtrans-76.2-34177.9-71.5166.4000113.4Q733 I734 V735 A740 Y745 A749 L752 L756 V757 I760 R764Q733-L737 WeakPolarHBondContact O-CG 3.25Å; Q733-L737 PolarHBondContact O-N 3.15Å; Q733-L737 VanDerWaalsContact O-N 3.11Å; I734-L737 PolarHBondContact O-N 2.94Å; I734-L737 VanDerWaalsContact O-N 3.11Å; V735-L737 VanDerWaalsContact C-N 3.28Å; V735-L737 PolarHBondContact O-N 3.3Å; L737-A740 PolarHBondContact O-N 3.24Å; L737-Y745 HydrophobicContact CB-CE2 4.21Å; L737-Y745 HydrophobicContact CD2-CE1 4.48Å; L737-Y745 HydrophobicContact CD2-CE2 3.96Å; L737-Y745 WeakPolarHBondContact O-CE2 3.42Å; L737-A749 HydrophobicContact CD2-CB 4.07Å; L737-L752 HydrophobicContact CD1-CD1 3.82Å; L737-L752 HydrophobicContact CD2-CD1 3.71Å; L737-L752 HydrophobicContact CG-CD1 3.54Å; L737-L756 HydrophobicContact CD1-CD2 3.33Å; L737-V757 HydrophobicContact CD1-CG2 3.98Å; L737-V757 HydrophobicContact CD2-CG2 4.24Å; L737-I760 HydrophobicContact CB-CD1 3.98Å; L737-I760 HydrophobicContact CB-CG2 4.03Å; L737-I760 HydrophobicContact CD1-CD1 3.78Å; L737-R764 PolarHBondContact O-NH1 2.92Å
738L84.9Confident83.6Confident6 Ų670.1 Ų70.13%0.03133%0.332CS..Hα-helixtrans-66.6-37.6174.4-68.6171.9000111.6L701 T706 L709 I713 I734 V735 I760 R764L701-L738 HydrophobicContact CD1-CD2 3.94Å; T706-L738 HydrophobicContact CG2-CB 4.22Å; T706-L738 HydrophobicContact CG2-CD2 4.07Å; T706-L738 VanDerWaalsContact CG2-O 3.28Å; T706-L738 WeakPolarHBondContact CG2-O 3.43Å; L709-L738 HydrophobicContact CB-CD1 4.33Å; L709-L738 HydrophobicContact CD2-CD1 3.64Å; L709-L738 HydrophobicContact CD2-CD2 4.27Å; L709-L738 HydrophobicContact CG-CD1 3.9Å; I713-L738 HydrophobicContact CD1-CD1 3.66Å; I734-L738 HydrophobicContact CG2-CD1 3.74Å; I734-L738 HydrophobicContact CG2-CG 4.18Å; I734-L738 WeakPolarHBondContact O-CG 3.3Å; I734-L738 PolarHBondContact O-N 3.21Å; V735-L738 PolarHBondContact O-N 3.38Å; L738-I760 HydrophobicContact CD2-CG2 4.27Å; L738-R764 PolarHBondContact O-NH1 3.42Å
739R84.8Confident83.2Confident150 Ų15068.9 Ų68.957%0.56632%0.324SS*.Hα-helixtrans-77.1-19.4178.6-72.8-179.5172.9175.4-2.9114.3A710 D714 V735 K741A710-R739 HydrophobicContact CB-CG 4.25Å; D714-R739 IonicContact OD1-CZ 2.7Å; D714-R739 IonicContact OD1-NH2 3.07Å; D714-R739 PolarHBondContact OD1-NH2 3.19Å; D714-R739 IonicContact OD2-CZ 2.62Å; D714-R739 IonicContact OD2-NH2 3.31Å; D714-R739 PolarHBondContact OD2-NH2 2.93Å; V735-R739 HydrophobicContact CG1-CG 4.33Å; V735-R739 WeakPolarHBondContact O-CB 3.49Å; V735-R739 WeakPolarHBondContact O-CG 3.32Å; V735-R739 PolarHBondContact O-N 3.29Å; R739-K741 PolarHBondContact O-N 2.79Å
740A84.2Confident82.8Confident7 Ų769.3 Ų69.36%0.05833%0.33CS..SBendtrans-62.7130.8-179.300000111.1T736 L737 Y745 T748 R764T736-A740 PolarHBondContact O-N 3.47Å; L737-A740 PolarHBondContact O-N 3.24Å; A740-Y745 HydrophobicContact CB-CD2 3.87Å; A740-T748 HydrophobicContact CB-CG2 4.43Å; A740-T748 WeakPolarHBondContact CB-OG1 3.5Å; A740-R764 PolarHBondContact O-NH1 3.32Å; A740-R764 PolarHBondContact O-NH2 3.19Å
741K80.7Confident82.3Confident127 Ų12774.4 Ų74.455%0.55235%0.354SS*.  trans-64.9147.3173.4-67.3179.2-179.1174.20109.8R739 E743 E744 Y745R739-K741 PolarHBondContact O-N 2.79Å; K741-E743 PolarHBondContact O-N 3.14Å; K741-E743 VanDerWaalsContact O-N 3.11Å; K741-E744 HydrophobicContact CB-CB 4.4Å; K741-E744 PolarHBondContact O-N 3.24Å; K741-Y745 PolarHBondContact O-N 3.29Å
742P77Confident82.1Confident86 Ų8675.9 Ų75.956%0.55836%0.362SS*.THydrogen-bonded Turntrans-49.4-39.5178.2-3036.8000113.8L766P742-L766 HydrophobicContact CB-CD2 3.74Å; P742-L766 HydrophobicContact CG-CD2 4.13Å
743E76.9Confident82Confident179 Ų17974.4 Ų74.484%0.83636%0.36SS*.THydrogen-bonded Turntrans-71.8-30-179.5-59.2178.3-177.800113.7K741K741-E743 PolarHBondContact O-N 3.14Å; K741-E743 VanDerWaalsContact O-N 3.11Å
744E79.9Confident81.7Confident90 Ų9083 Ų8342%0.42139%0.39SS..THydrogen-bonded Turntrans-100-8.7-175.4-66.8171.6-173.800112.5K741 R746 Q747 T748K741-E744 HydrophobicContact CB-CB 4.4Å; K741-E744 PolarHBondContact O-N 3.24Å; E744-R746 VanDerWaalsContact C-N 3.32Å; E744-R746 PolarHBondContact O-N 3.25Å; E744-Q747 WeakPolarHBondContact O-CA 3.41Å; E744-Q747 WeakPolarHBondContact O-CB 3.35Å; E744-Q747 PolarHBondContact O-N 3.4Å; E744-T748 PolarHBondContact O-N 3.22Å; E744-T748 VanDerWaalsContact O-N 3.14Å; E744-T748 PolarHBondContact O-OG1 2.92Å; E744-T748 VanDerWaalsContact O-OG1 3.12Å
745Y81.3Confident81.4Confident4 Ų493.3 Ų93.32%0.01643%0.429CS..Hα-helixtrans-52.8-46-172.6-168.9-91.2000112.7L737 A740 K741 Q747 T748 A749 V757 I760 A761 L766 H768L737-Y745 HydrophobicContact CB-CE2 4.21Å; L737-Y745 HydrophobicContact CD2-CE1 4.48Å; L737-Y745 HydrophobicContact CD2-CE2 3.96Å; L737-Y745 WeakPolarHBondContact O-CE2 3.42Å; A740-Y745 HydrophobicContact CB-CD2 3.87Å; K741-Y745 PolarHBondContact O-N 3.29Å; Y745-Q747 PolarHBondContact O-N 2.82Å; Y745-T748 WeakPolarHBondContact CA-OG1 3.27Å; Y745-T748 PolarHBondContact O-N 2.9Å; Y745-T748 PolarHBondContact O-OG1 3.02Å; Y745-A749 WeakPolarHBondContact O-CB 3.31Å; Y745-A749 PolarHBondContact O-N 3.47Å; Y745-V757 HydrophobicContact CE1-CG1 4.24Å; Y745-V757 PolarHBondContact OH-O 2.94Å; Y745-V757 VanDerWaalsContact OH-O 3.04Å; Y745-I760 HydrophobicContact CE2-CG2 4.45Å; Y745-I760 WeakPolarHBondContact OH-CB 3.4Å; Y745-I760 WeakPolarHBondContact OH-CG2 3.31Å; Y745-A761 HydrophobicContact CE1-CB 3.76Å; Y745-A761 PolarHBondContact OH-N 2.95Å; Y745-A761 VanDerWaalsContact OH-N 3.14Å; Y745-L766 HydrophobicContact CD1-CD1 4.38Å; Y745-L766 HydrophobicContact CD2-CD1 3.7Å; Y745-L766 HydrophobicContact CE2-CD1 4.08Å; Y745-L766 HydrophobicContact CG-CD1 3.88Å; Y745-H768 AromaticContact CE1-CD2 3.97Å
746R77Confident81.2Confident148 Ų14893.7 Ų93.756%0.55843%0.431SS*.Hα-helixtrans-62.7-27.5177.3-72.8-174.9-176.3142.18.5113.5E744 K750 D767 H768E744-R746 VanDerWaalsContact C-N 3.32Å; E744-R746 PolarHBondContact O-N 3.25Å; R746-K750 WeakPolarHBondContact O-CG 3.32Å; R746-D767 PolarHBondContact NH2-O 3Å; R746-H768 PolarHBondContact NE-OXT 3.35Å; R746-H768 PolarHBondContact NH2-OXT 3.07Å
747Q79.3Confident81Confident142 Ų14290.5 Ų90.566%0.66441%0.412SS*.Hα-helixtrans-80.8-47.1-179.9-59.8-173.114.100110.8E744 Y745 A749 K750E744-Q747 WeakPolarHBondContact O-CA 3.41Å; E744-Q747 WeakPolarHBondContact O-CB 3.35Å; E744-Q747 PolarHBondContact O-N 3.4Å; Y745-Q747 PolarHBondContact O-N 2.82Å; Q747-A749 VanDerWaalsContact C-N 3.29Å; Q747-A749 PolarHBondContact O-N 2.72Å; Q747-K750 PolarHBondContact O-N 2.74Å
748T78.9Confident80.9Confident54 Ų5493.5 Ų93.533%0.33143%0.433SS..Hα-helixtrans-63.8-32.7175.638.30000112.7A740 E744 Y745 K750A740-T748 HydrophobicContact CB-CG2 4.43Å; A740-T748 WeakPolarHBondContact CB-OG1 3.5Å; E744-T748 PolarHBondContact O-N 3.22Å; E744-T748 VanDerWaalsContact O-N 3.14Å; E744-T748 PolarHBondContact O-OG1 2.92Å; E744-T748 VanDerWaalsContact O-OG1 3.12Å; Y745-T748 WeakPolarHBondContact CA-OG1 3.27Å; Y745-T748 PolarHBondContact O-N 2.9Å; Y745-T748 PolarHBondContact O-OG1 3.02Å; T748-K750 VanDerWaalsContact C-N 3.34Å; T748-K750 PolarHBondContact O-N 3.26Å
749A78.3Confident80.8Confident7 Ų795.8 Ų95.86%0.05845%0.447CS..G310 helixtrans-73.4-16.5-178.800000115.2L737 Y745 Q747 L751 L752 V757L737-A749 HydrophobicContact CD2-CB 4.07Å; Y745-A749 WeakPolarHBondContact O-CB 3.31Å; Y745-A749 PolarHBondContact O-N 3.47Å; Q747-A749 VanDerWaalsContact C-N 3.29Å; Q747-A749 PolarHBondContact O-N 2.72Å; A749-L751 PolarHBondContact O-N 2.91Å; A749-L751 VanDerWaalsContact O-N 3.17Å; A749-L752 PolarHBondContact O-N 2.91Å; A749-L752 VanDerWaalsContact O-N 3.15Å; A749-V757 HydrophobicContact CB-CB 4.43Å; A749-V757 HydrophobicContact CB-CG1 3.56Å; A749-V757 HydrophobicContact CB-CG2 3.93Å
750K77.8Confident80.8Confident170 Ų17088.6 Ų88.674%0.73942%0.42SS*.G310 helixtrans-60-30.2-173.1-76.5180-177.8177.10114.5R746 Q747 T748R746-K750 WeakPolarHBondContact O-CG 3.32Å; Q747-K750 PolarHBondContact O-N 2.74Å; T748-K750 VanDerWaalsContact C-N 3.34Å; T748-K750 PolarHBondContact O-N 3.26Å
751L75.4Confident80.7Confident170 Ų17088.4 Ų88.489%0.8942%0.418SS*.G310 helixtrans-97.64.3-175.4-63.9172.1000112.8A749A749-L751 PolarHBondContact O-N 2.91Å; A749-L751 VanDerWaalsContact O-N 3.17Å
752L85.1Confident80.8Confident32 Ų3285.9 Ų85.917%0.16842%0.421CS..SBendtrans-112.4158.5-171.2-64.1-179.7000112.4Q733 T736 L737 A749 R754 V757Q733-L752 HydrophobicContact CB-CD2 4.02Å; Q733-L752 HydrophobicContact CG-CD2 3.57Å; T736-L752 HydrophobicContact CG2-CD1 4.47Å; L737-L752 HydrophobicContact CD1-CD1 3.82Å; L737-L752 HydrophobicContact CD2-CD1 3.71Å; L737-L752 HydrophobicContact CG-CD1 3.54Å; A749-L752 PolarHBondContact O-N 2.91Å; A749-L752 VanDerWaalsContact O-N 3.15Å; L752-R754 PolarHBondContact O-N 3.08Å; L752-V757 HydrophobicContact CB-CG2 3.74Å
753P85.8Confident81.1Confident61 Ų6182.3 Ų82.340%0.39640%0.397SS..  trans-59.5123.2-179-24.434.7000112.6Q733 R755 L756 V757Q733-P753 VanDerWaalsContact OE1-CD 3.22Å; Q733-P753 VanDerWaalsContact OE1-CG 3.32Å; P753-R755 VanDerWaalsContact C-N 3.28Å; P753-R755 PolarHBondContact O-N 2.87Å; P753-R755 VanDerWaalsContact O-N 3.12Å; P753-L756 HydrophobicContact CB-CB 4.38Å; P753-L756 PolarHBondContact O-N 3.08Å; P753-L756 VanDerWaalsContact O-N 3.07Å; P753-V757 WeakPolarHBondContact O-CG2 3.35Å; P753-V757 PolarHBondContact O-N 3.47Å
754R80.2Confident81.3Confident228 Ų22875.8 Ų75.886%0.8637%0.365SS*.Hα-helixtrans-53.3-38.4-173.5-68.7-175.3179.4179.5-0114.5L752 S758L752-R754 PolarHBondContact O-N 3.08Å; R754-S758 PolarHBondContact O-N 3.38Å; R754-S758 PolarHBondContact O-OG 3.33Å
755R81.6Confident81.1Confident217 Ų21774.4 Ų74.482%0.81938%0.375SS*.Hα-helixtrans-65-45.7179.4-71.6-175.1176.8178-1111.9P753 S758 T759P753-R755 VanDerWaalsContact C-N 3.28Å; P753-R755 PolarHBondContact O-N 2.87Å; P753-R755 VanDerWaalsContact O-N 3.12Å; R755-S758 PolarHBondContact O-N 3.23Å; R755-S758 PolarHBondContact O-OG 3.17Å; R755-T759 PolarHBondContact O-N 3.01Å; R755-T759 PolarHBondContact O-OG1 3.46Å
756L83.2Confident81Confident19 Ų1976 Ų7610%0.09938%0.383CS..Hα-helixtrans-68.3-39.9-178.9-171.6140.4000110.8T730 Q733 I734 L737 P753 T759 I760T730-L756 HydrophobicContact CG2-CD1 3.67Å; Q733-L756 HydrophobicContact CB-CD2 4.39Å; I734-L756 HydrophobicContact CD1-CD1 4.37Å; I734-L756 HydrophobicContact CG1-CD1 3.93Å; I734-L756 HydrophobicContact CG1-CD2 4.15Å; I734-L756 HydrophobicContact CG1-CG 4.34Å; L737-L756 HydrophobicContact CD1-CD2 3.33Å; P753-L756 HydrophobicContact CB-CB 4.38Å; P753-L756 PolarHBondContact O-N 3.08Å; P753-L756 VanDerWaalsContact O-N 3.07Å; L756-T759 PolarHBondContact O-N 3.06Å; L756-I760 HydrophobicContact CD2-CD1 3.58Å; L756-I760 HydrophobicContact CG-CD1 4.09Å; L756-I760 WeakPolarHBondContact O-CG1 3.27Å; L756-I760 PolarHBondContact O-N 3.25Å
757V84.1Confident80.3Confident4 Ų476.2 Ų76.22%0.02440%0.396CS..Hα-helixtrans-58.9-48.2173.3169.80000112.3L737 Y745 A749 L752 P753 A761 H768L737-V757 HydrophobicContact CD1-CG2 3.98Å; L737-V757 HydrophobicContact CD2-CG2 4.24Å; Y745-V757 HydrophobicContact CE1-CG1 4.24Å; Y745-V757 PolarHBondContact OH-O 2.94Å; Y745-V757 VanDerWaalsContact OH-O 3.04Å; A749-V757 HydrophobicContact CB-CB 4.43Å; A749-V757 HydrophobicContact CB-CG1 3.56Å; A749-V757 HydrophobicContact CB-CG2 3.93Å; L752-V757 HydrophobicContact CB-CG2 3.74Å; P753-V757 WeakPolarHBondContact O-CG2 3.35Å; P753-V757 PolarHBondContact O-N 3.47Å; V757-A761 VanDerWaalsContact O-CB 3.31Å; V757-A761 WeakPolarHBondContact O-CB 3.29Å; V757-A761 PolarHBondContact O-N 3.38Å; V757-H768 WeakPolarHBondContact CG1-CD2 3.4Å; V757-H768 WeakPolarHBondContact CG1-NE2 3.33Å
758S82.4Confident78.9Confident63 Ų6375.2 Ų75.244%0.44139%0.39SS..Hα-helixtrans-66.5-38.9-179.354.90000112.3R754 R755 A762R754-S758 PolarHBondContact O-N 3.38Å; R754-S758 PolarHBondContact O-OG 3.33Å; R755-S758 PolarHBondContact O-N 3.23Å; R755-S758 PolarHBondContact O-OG 3.17Å; S758-A762 WeakPolarHBondContact O-CB 3.47Å; S758-A762 PolarHBondContact O-N 2.71Å
759T83.8Confident78.9Confident53 Ų5376.3 Ų76.333%0.32539%0.393SS..Hα-helixtrans-65.8-50.1178.1-56.10000110.3L696 R755 L756 A761 A762 L763L696-T759 HydrophobicContact CD2-CG2 3.76Å; R755-T759 PolarHBondContact O-N 3.01Å; R755-T759 PolarHBondContact O-OG1 3.46Å; L756-T759 PolarHBondContact O-N 3.06Å; T759-A761 VanDerWaalsContact C-N 3.29Å; T759-A761 PolarHBondContact O-N 3.15Å; T759-A762 WeakPolarHBondContact O-CB 3.5Å; T759-A762 PolarHBondContact O-N 3.02Å; T759-A762 VanDerWaalsContact O-N 3.14Å; T759-L763 HydrophobicContact CG2-CD1 4.49Å; T759-L763 VanDerWaalsContact O-CG 3.3Å; T759-L763 WeakPolarHBondContact O-CG 3.19Å; T759-L763 PolarHBondContact O-N 3.26Å
760I83.8Confident79Confident0 Ų079.9 Ų79.90%041%0.411CS..Hα-helixtrans-66-31.7-179.7-63.6172.2000112.2L696 I734 L737 L738 Y745 L756 L763 R764L696-I760 HydrophobicContact CD2-CG1 4.36Å; I734-I760 HydrophobicContact CB-CD1 4.26Å; I734-I760 HydrophobicContact CG1-CD1 4Å; I734-I760 HydrophobicContact CG2-CD1 4.16Å; L737-I760 HydrophobicContact CB-CD1 3.98Å; L737-I760 HydrophobicContact CB-CG2 4.03Å; L737-I760 HydrophobicContact CD1-CD1 3.78Å; L738-I760 HydrophobicContact CD2-CG2 4.27Å; Y745-I760 HydrophobicContact CE2-CG2 4.45Å; Y745-I760 WeakPolarHBondContact OH-CB 3.4Å; Y745-I760 WeakPolarHBondContact OH-CG2 3.31Å; L756-I760 HydrophobicContact CD2-CD1 3.58Å; L756-I760 HydrophobicContact CG-CD1 4.09Å; L756-I760 WeakPolarHBondContact O-CG1 3.27Å; L756-I760 PolarHBondContact O-N 3.25Å; I760-L763 PolarHBondContact O-N 2.63Å; I760-R764 WeakPolarHBondContact O-CG 3.26Å; I760-R764 PolarHBondContact O-N 2.96Å; I760-R764 VanDerWaalsContact O-N 3.12Å
761A82.6Confident79.1Confident2 Ų274.9 Ų74.92%0.01739%0.393CS..Hα-helixtrans-64.4-44.4173.200000111.6Y745 V757 T759 R764 G765 L766 H768Y745-A761 HydrophobicContact CE1-CB 3.76Å; Y745-A761 PolarHBondContact OH-N 2.95Å; Y745-A761 VanDerWaalsContact OH-N 3.14Å; V757-A761 VanDerWaalsContact O-CB 3.31Å; V757-A761 WeakPolarHBondContact O-CB 3.29Å; V757-A761 PolarHBondContact O-N 3.38Å; T759-A761 VanDerWaalsContact C-N 3.29Å; T759-A761 PolarHBondContact O-N 3.15Å; A761-R764 PolarHBondContact O-N 2.92Å; A761-G765 PolarHBondContact O-N 3.16Å; A761-L766 PolarHBondContact O-N 3.16Å; A761-H768 HydrophobicContact CB-CB 3.78Å
762A82.6Confident79.3Confident75 Ų7569.3 Ų69.362%0.6236%0.364SS*.Hα-helixtrans-63.2-42.3175.900000111.8S758 T759 R764 G765S758-A762 WeakPolarHBondContact O-CB 3.47Å; S758-A762 PolarHBondContact O-N 2.71Å; T759-A762 WeakPolarHBondContact O-CB 3.5Å; T759-A762 PolarHBondContact O-N 3.02Å; T759-A762 VanDerWaalsContact O-N 3.14Å; A762-R764 VanDerWaalsContact C-N 3.27Å; A762-R764 PolarHBondContact O-N 3.19Å; A762-G765 PolarHBondContact O-N 3.14Å
763L83.2Confident78.9Confident10 Ų1071.6 Ų71.65%0.05238%0.376CS..Hα-helixtrans-58.2-39.5175.7-65.9179.4000112.2I698 E700 L701 T759 I760I698-L763 WeakPolarHBondContact O-CD2 3.31Å; E700-L763 CarbonylContact C-O 3.52Å; L701-L763 HydrophobicContact CD1-CB 3.87Å; L701-L763 HydrophobicContact CD1-CD1 4.24Å; L701-L763 HydrophobicContact CG-CB 4.2Å; L701-L763 PolarHBondContact N-O 3.13Å; T759-L763 HydrophobicContact CG2-CD1 4.49Å; T759-L763 VanDerWaalsContact O-CG 3.3Å; T759-L763 WeakPolarHBondContact O-CG 3.19Å; T759-L763 PolarHBondContact O-N 3.26Å; I760-L763 PolarHBondContact O-N 2.63Å
764R81.6Confident78.4Confident43 Ų4372.3 Ų72.316%0.16237%0.374CS..THydrogen-bonded Turntrans-88.52.3-177.4-66.5179.565-169.2-2.2114.1L701 L737 L738 A740 I760 A761 A762 L766L701-R764 HydrophobicContact CB-CG 4.38Å; L701-R764 HydrophobicContact CD1-CG 4.34Å; L737-R764 PolarHBondContact O-NH1 2.92Å; L738-R764 PolarHBondContact O-NH1 3.42Å; A740-R764 PolarHBondContact O-NH1 3.32Å; A740-R764 PolarHBondContact O-NH2 3.19Å; I760-R764 WeakPolarHBondContact O-CG 3.26Å; I760-R764 PolarHBondContact O-N 2.96Å; I760-R764 VanDerWaalsContact O-N 3.12Å; A761-R764 PolarHBondContact O-N 2.92Å; A762-R764 VanDerWaalsContact C-N 3.27Å; A762-R764 PolarHBondContact O-N 3.19Å; R764-L766 VanDerWaalsContact C-N 3.28Å; R764-L766 HydrophobicContact CB-CD1 3.94Å; R764-L766 HydrophobicContact CB-CG 3.84Å; R764-L766 PolarHBondContact O-N 3.04Å
765G75.9Confident78.3Confident61 Ų6161.2 Ų61.263%0.62934%0.34SS*.THydrogen-bonded Turntrans62.730.4-175.100000114.1A761 A762A761-G765 PolarHBondContact O-N 3.16Å; A762-G765 PolarHBondContact O-N 3.14Å
766L79.6Confident78.1Confident37 Ų3749.2 Ų49.219%0.19430%0.303CS..  trans-96.1130.1-178.5-62.4176.5000111.4P742 Y745 A761 R764 H768P742-L766 HydrophobicContact CB-CD2 3.74Å; P742-L766 HydrophobicContact CG-CD2 4.13Å; Y745-L766 HydrophobicContact CD1-CD1 4.38Å; Y745-L766 HydrophobicContact CD2-CD1 3.7Å; Y745-L766 HydrophobicContact CE2-CD1 4.08Å; Y745-L766 HydrophobicContact CG-CD1 3.88Å; A761-L766 PolarHBondContact O-N 3.16Å; R764-L766 VanDerWaalsContact C-N 3.28Å; R764-L766 HydrophobicContact CB-CD1 3.94Å; R764-L766 HydrophobicContact CB-CG 3.84Å; R764-L766 PolarHBondContact O-N 3.04Å; L766-H768 PolarHBondContact O-N 3.09Å
767D60.4Low77.6Confident153 Ų15351.8 Ų51.882%0.81832%0.32SS*.  trans-71.493.6171.1-76.9-28.6000110.5R746R746-D767 PolarHBondContact NH2-O 3Å
768H51.8Low77.1Confident120 Ų12056.1 Ų56.156%0.55635%0.347SS*.  trans-71.40178.3-179.6-65.5000113.1Y745 R746 V757 A761 L766Y745-H768 AromaticContact CE1-CD2 3.97Å; R746-H768 PolarHBondContact NE-OXT 3.35Å; R746-H768 PolarHBondContact NH2-OXT 3.07Å; V757-H768 WeakPolarHBondContact CG1-CD2 3.4Å; V757-H768 WeakPolarHBondContact CG1-NE2 3.33Å; A761-H768 HydrophobicContact CB-CB 3.78Å; L766-H768 PolarHBondContact O-N 3.09Å

Retrieved 768 of 768 residues in 198.4 ms (Link to these results)

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