A0A2K5CVA0_AOTNA Loading...

Tubulin polymerization-promoting protein family member 3

AlphaFold DB , UniProt , Accession A0A2K5CVA0, Species AOTNA (Aotus nancymaae, Ma's night monkey), Gene TPPP3, Length 176 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
1M38.8Very low61.8Low231 Ų23175.7 Ų75.7100%1.13847%0.47SS*.  026.20-69.8-61.3-162.100113.1
2A40.5Very low64.3Low62 Ų6277.5 Ų77.551%0.51247%0.468SS..  trans-106.2-19.6-178.800000114.2S4 T5 D6A2-S4 VanDerWaalsContact C-N 3.27Å; A2-S4 PolarHBondContact O-N 2.99Å; A2-T5 PolarHBondContact O-N 2.84Å; A2-T5 PolarHBondContact O-OG1 2.91Å; A2-D6 VanDerWaalsContact O-OD2 3.06Å
3A42.3Very low66.5Low79 Ų7971.5 Ų71.565%0.65343%0.432SS*.Hα-helixtrans-67.3-20.3-174.200000114.9I7A3-I7 WeakPolarHBondContact O-CD1 3.42Å
4S45Very low68.5Low86 Ų8666.7 Ų66.760%0.60140%0.403SS*.Hα-helixtrans-83.8-25.3-179.350.40000113.8A2A2-S4 VanDerWaalsContact C-N 3.27Å; A2-S4 PolarHBondContact O-N 2.99Å
5T47.4Very low70.2Confident96 Ų9671.7 Ų71.759%0.58941%0.411SS*.Hα-helixtrans-79.8-34.9-177.439.40000112.8A2 A8 G9A2-T5 PolarHBondContact O-N 2.84Å; A2-T5 PolarHBondContact O-OG1 2.91Å; T5-A8 PolarHBondContact O-N 2.88Å; T5-G9 PolarHBondContact O-N 3.38Å
6D58.9Low71.6Confident47 Ų4770.3 Ų70.325%0.25140%0.399SS..Hα-helixtrans-69.6-33.3178.9-65.5-83.1000112.2A2 L10 Q101A2-D6 VanDerWaalsContact O-OD2 3.06Å; D6-L10 PolarHBondContact O-N 2.63Å; D6-Q101 PolarHBondContact OD1-NE2 3.49Å; D6-Q101 VanDerWaalsContact OD1-NE2 3.1Å
7I66.8Low73Confident89 Ų8966.1 Ų66.146%0.45638%0.375SS..Hα-helixtrans-73.2-36.7178.1-60.6173.5000111.5A3 L10 E11A3-I7 WeakPolarHBondContact O-CD1 3.42Å; I7-L10 WeakPolarHBondContact O-CB 3.32Å; I7-L10 PolarHBondContact O-N 3.06Å; I7-E11 PolarHBondContact O-N 3.27Å
8A73.3Confident74.1Confident60 Ų6062.6 Ų62.650%0.49636%0.356SS..Hα-helixtrans-64.5-44.3177.600000111.5T5 L10 E11 E12T5-A8 PolarHBondContact O-N 2.88Å; A8-L10 VanDerWaalsContact C-N 3.27Å; A8-L10 PolarHBondContact O-N 2.83Å; A8-E11 PolarHBondContact O-N 2.73Å; A8-E12 PolarHBondContact O-N 3.23Å
9G86Confident75.2Confident14 Ų1463.6 Ų63.614%0.14436%0.359CS..Hα-helixtrans-66.2-28.6175.700000113.4T5 S13 G105T5-G9 PolarHBondContact O-N 3.38Å; G9-S13 WeakPolarHBondContact O-CB 3.42Å; G9-S13 PolarHBondContact O-N 3.5Å; G9-S13 VanDerWaalsContact O-N 3.15Å; G9-S13 PolarHBondContact O-OG 3.47Å; G9-G105 PolarHBondContact O-N 3.37Å
10L89.5Confident75.9Confident2 Ų262.7 Ų62.71%0.0135%0.352CS..Hα-helixtrans-69.2-47.6174-177.269.5000112D6 I7 A8 E12 S13 F14 F75 L79 C100 V103D6-L10 PolarHBondContact O-N 2.63Å; I7-L10 WeakPolarHBondContact O-CB 3.32Å; I7-L10 PolarHBondContact O-N 3.06Å; A8-L10 VanDerWaalsContact C-N 3.27Å; A8-L10 PolarHBondContact O-N 2.83Å; L10-E12 VanDerWaalsContact C-N 3.33Å; L10-E12 PolarHBondContact O-N 3.34Å; L10-S13 PolarHBondContact O-N 2.84Å; L10-F14 PolarHBondContact O-N 3.43Å; L10-F75 HydrophobicContact CD1-CE1 4.05Å; L10-F75 HydrophobicContact CD1-CZ 4.25Å; L10-F75 HydrophobicContact CD2-CE1 4.38Å; L10-F75 HydrophobicContact CG-CE1 4.09Å; L10-L79 HydrophobicContact CD1-CD1 3.84Å; L10-L79 HydrophobicContact CD2-CD1 4.15Å; L10-C100 HydrophobicContact CD1-CB 4.44Å; L10-C100 HydrophobicContact CD2-CB 4.34Å; L10-V103 HydrophobicContact CD1-CB 3.75Å; L10-V103 HydrophobicContact CD1-CG1 3.67Å
11E90.8Very high76.4Confident67 Ų6763.3 Ų63.331%0.31337%0.372SS..Hα-helixtrans-64.4-39.7178.6-166.5-175.3153.100111.4I7 A8 S13 F14 R15 Y72I7-E11 PolarHBondContact O-N 3.27Å; A8-E11 PolarHBondContact O-N 2.73Å; E11-S13 VanDerWaalsContact C-N 3.33Å; E11-S13 PolarHBondContact O-N 3.11Å; E11-F14 WeakPolarHBondContact O-CB 3.33Å; E11-F14 PolarHBondContact O-N 3.12Å; E11-R15 WeakPolarHBondContact O-CG 3.39Å; E11-R15 PolarHBondContact O-N 3.13Å; E11-R15 IonicContact OE1-CZ 2.63Å; E11-R15 IonicContact OE1-NE 3.42Å; E11-R15 PolarHBondContact OE1-NE 2.95Å; E11-R15 IonicContact OE1-NH2 2.61Å; E11-R15 PolarHBondContact OE1-NH2 3.27Å; E11-Y72 HydrophobicContact CB-CE1 4.43Å; E11-Y72 HydrophobicContact CB-CE2 4.11Å; E11-Y72 HydrophobicContact CG-CD2 4.47Å; E11-Y72 HydrophobicContact CG-CE1 4.21Å; E11-Y72 HydrophobicContact CG-CE2 4.1Å
12E92.3Very high78.5Confident97 Ų9756 Ų5645%0.45334%0.337SS..Hα-helixtrans-59.1-46.5174.4-170.9-171.1160.100111.3A8 L10 F14 R15 K16A8-E12 PolarHBondContact O-N 3.23Å; L10-E12 VanDerWaalsContact C-N 3.33Å; L10-E12 PolarHBondContact O-N 3.34Å; E12-F14 PolarHBondContact O-N 3.26Å; E12-R15 PolarHBondContact O-N 2.66Å; E12-K16 WeakPolarHBondContact O-CG 3.44Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.73Å; E12-K16 PolarHBondContact OE1-NZ 3.31Å
13S93.3Very high80.4Confident0 Ų059.2 Ų59.20%035%0.353CS..Hα-helixtrans-62.9-43.9177.5-53.20000110.7G9 L10 E11 R15 K16 F17 V103 G105 K106G9-S13 WeakPolarHBondContact O-CB 3.42Å; G9-S13 PolarHBondContact O-N 3.5Å; G9-S13 VanDerWaalsContact O-N 3.15Å; G9-S13 PolarHBondContact O-OG 3.47Å; L10-S13 PolarHBondContact O-N 2.84Å; E11-S13 VanDerWaalsContact C-N 3.33Å; E11-S13 PolarHBondContact O-N 3.11Å; S13-R15 VanDerWaalsContact C-N 3.34Å; S13-R15 PolarHBondContact O-N 3.33Å; S13-K16 PolarHBondContact O-N 3.34Å; S13-F17 VanDerWaalsContact O-CD2 3.3Å; S13-F17 WeakPolarHBondContact O-CD2 3.5Å; S13-F17 PolarHBondContact O-N 3.21Å; S13-V103 WeakPolarHBondContact CB-O 3.47Å; S13-V103 PolarHBondContact OG-O 3.32Å; S13-G105 PolarHBondContact OG-N 2.92Å; S13-K106 WeakPolarHBondContact CB-O 3.49Å; S13-K106 PolarHBondContact OG-N 3.37Å; S13-K106 PolarHBondContact OG-O 3.1Å
14F94.6Very high82.4Confident4 Ų464.6 Ų64.62%0.01836%0.362CS..Hα-helixtrans-53.3-50.2173.8172.1-93.2000111.5L10 E11 E12 K16 F17 A18 G27 M30 Y72 F75L10-F14 PolarHBondContact O-N 3.43Å; E11-F14 WeakPolarHBondContact O-CB 3.33Å; E11-F14 PolarHBondContact O-N 3.12Å; E12-F14 PolarHBondContact O-N 3.26Å; F14-K16 PolarHBondContact O-N 3.39Å; F14-F17 PolarHBondContact O-N 3.33Å; F14-A18 HydrophobicContact CE1-CB 4.39Å; F14-A18 WeakPolarHBondContact O-CB 3.25Å; F14-A18 PolarHBondContact O-N 3.36Å; F14-G27 WeakPolarHBondContact CE1-O 3.5Å; F14-M30 HydrophobicContact CD2-CE 3.44Å; F14-M30 VanDerWaalsContact CD2-CE 3.44Å; F14-M30 HydrophobicContact CD2-SD 4.48Å; F14-M30 HydrophobicContact CE2-CB 3.71Å; F14-M30 HydrophobicContact CE2-CE 3.79Å; F14-M30 HydrophobicContact CE2-SD 4.47Å; F14-M30 HydrophobicContact CG-CE 4.11Å; F14-M30 HydrophobicContact CZ-CB 4.1Å; F14-M30 WeakPolarHBondContact O-CE 3.21Å; F14-Y72 HydrophobicContact CB-CD2 4.1Å; F14-Y72 HydrophobicContact CB-CE2 4.14Å; F14-Y72 AromaticContact CD1-CD2 3.86Å; F14-Y72 HydrophobicContact CD1-CD2 3.86Å; F14-Y72 HydrophobicContact CD2-CD2 4.05Å; F14-Y72 HydrophobicContact CE1-CD2 4.31Å; F14-Y72 HydrophobicContact CE2-CD2 4.48Å; F14-Y72 AromaticContact CG-CD2 3.73Å; F14-Y72 HydrophobicContact CG-CD2 3.73Å; F14-Y72 HydrophobicContact CG-CE2 4.27Å; F14-F75 HydrophobicContact CB-CD1 4.47Å; F14-F75 HydrophobicContact CB-CE1 4.12Å; F14-F75 HydrophobicContact CB-CZ 4.37Å; F14-F75 HydrophobicContact CD2-CB 3.96Å; F14-F75 AromaticContact CD2-CD1 3.65Å; F14-F75 HydrophobicContact CD2-CD1 3.65Å; F14-F75 AromaticContact CD2-CD2 3.71Å; F14-F75 HydrophobicContact CD2-CD2 3.71Å; F14-F75 AromaticContact CD2-CE1 3.99Å; F14-F75 HydrophobicContact CD2-CE1 3.99Å; F14-F75 HydrophobicContact CD2-CE2 4.04Å; F14-F75 AromaticContact CD2-CG 3.49Å; F14-F75 HydrophobicContact CD2-CG 3.49Å; F14-F75 VanDerWaalsContact CD2-CG 3.49Å; F14-F75 HydrophobicContact CD2-CZ 4.17Å; F14-F75 HydrophobicContact CE2-CB 3.73Å; F14-F75 HydrophobicContact CE2-CD1 4.29Å; F14-F75 HydrophobicContact CE2-CD2 4.09Å; F14-F75 AromaticContact CE2-CG 3.79Å; F14-F75 HydrophobicContact CE2-CG 3.79Å; F14-F75 HydrophobicContact CG-CD1 4.34Å; F14-F75 HydrophobicContact CG-CE1 4.46Å
15R93.5Very high84.4Confident141 Ų14162.1 Ų62.153%0.53235%0.347SS..Hα-helixtrans-60.3-44179.2-70.9175.6-177-135.34.9111.9E11 E12 S13 F17 A18 I19E11-R15 WeakPolarHBondContact O-CG 3.39Å; E11-R15 PolarHBondContact O-N 3.13Å; E11-R15 IonicContact OE1-CZ 2.63Å; E11-R15 IonicContact OE1-NE 3.42Å; E11-R15 PolarHBondContact OE1-NE 2.95Å; E11-R15 IonicContact OE1-NH2 2.61Å; E11-R15 PolarHBondContact OE1-NH2 3.27Å; E12-R15 PolarHBondContact O-N 2.66Å; S13-R15 VanDerWaalsContact C-N 3.34Å; S13-R15 PolarHBondContact O-N 3.33Å; R15-F17 PolarHBondContact O-N 3.12Å; R15-A18 PolarHBondContact O-N 2.9Å; R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 3.01Å; R15-I19 VanDerWaalsContact O-N 3.12Å
16K93.3Very high86.3Confident49 Ų4961.5 Ų61.521%0.21335%0.346CS..Hα-helixtrans-61.1-42.7178.4-70.8178.8-176.6173.50112.5E12 S13 F14 E107E12-K16 WeakPolarHBondContact O-CG 3.44Å; E12-K16 PolarHBondContact O-N 2.93Å; E12-K16 WeakPolarHBondContact OE1-CE 3.43Å; E12-K16 IonicContact OE1-NZ 2.73Å; E12-K16 PolarHBondContact OE1-NZ 3.31Å; S13-K16 PolarHBondContact O-N 3.34Å; F14-K16 PolarHBondContact O-N 3.39Å; K16-E107 HydrophobicContact CD-CB 4.19Å; K16-E107 HydrophobicContact CD-CG 3.6Å; K16-E107 VanDerWaalsContact CD-OE1 3.25Å; K16-E107 WeakPolarHBondContact CD-OE1 3.39Å; K16-E107 WeakPolarHBondContact CE-OE1 3.48Å; K16-E107 IonicContact NZ-OE1 2.73Å; K16-E107 PolarHBondContact NZ-OE1 3.14Å
17F94.1Very high87.7Confident0 Ų059.5 Ų59.50%034%0.336CS..Hα-helixtrans-74-32.9175.1-80.7-87.7000112.4S13 F14 R15 H20 M30 N34 K37 L38 D41 P108S13-F17 VanDerWaalsContact O-CD2 3.3Å; S13-F17 WeakPolarHBondContact O-CD2 3.5Å; S13-F17 PolarHBondContact O-N 3.21Å; F14-F17 PolarHBondContact O-N 3.33Å; R15-F17 PolarHBondContact O-N 3.12Å; F17-H20 VanDerWaalsContact O-CB 3.31Å; F17-H20 WeakPolarHBondContact O-CB 3.36Å; F17-H20 PolarHBondContact O-N 2.93Å; F17-M30 HydrophobicContact CB-CE 3.55Å; F17-N34 WeakPolarHBondContact O-CB 3.32Å; F17-N34 VanDerWaalsContact O-CG 3.28Å; F17-N34 PolarHBondContact O-ND2 3.12Å; F17-K37 HydrophobicContact CD1-CD 4.45Å; F17-K37 HydrophobicContact CE1-CD 4.24Å; F17-K37 HydrophobicContact CE1-CG 4.24Å; F17-L38 HydrophobicContact CB-CB 4.43Å; F17-L38 HydrophobicContact CB-CD1 4.02Å; F17-L38 HydrophobicContact CD1-CB 3.7Å; F17-L38 HydrophobicContact CD1-CG 4.38Å; F17-L38 HydrophobicContact CD2-CB 4.24Å; F17-L38 HydrophobicContact CD2-CD1 3.78Å; F17-L38 HydrophobicContact CD2-CG 4.03Å; F17-L38 VanDerWaalsContact CE1-CA 3.46Å; F17-L38 HydrophobicContact CE1-CB 3.93Å; F17-L38 HydrophobicContact CE2-CB 4.45Å; F17-L38 HydrophobicContact CE2-CD1 4.4Å; F17-L38 HydrophobicContact CE2-CG 4.2Å; F17-L38 HydrophobicContact CG-CB 3.88Å; F17-L38 HydrophobicContact CG-CD1 3.88Å; F17-L38 HydrophobicContact CG-CG 4.14Å; F17-L38 HydrophobicContact CZ-CB 4.31Å; F17-L38 HydrophobicContact CZ-CG 4.45Å; F17-D41 HydrophobicContact CE1-CB 4.2Å; F17-D41 HydrophobicContact CZ-CB 3.9Å; F17-P108 HydrophobicContact CD1-CB 3.78Å; F17-P108 HydrophobicContact CD1-CG 4.41Å; F17-P108 VanDerWaalsContact CE1-CA 3.49Å; F17-P108 HydrophobicContact CE1-CB 3.63Å; F17-P108 HydrophobicContact CG-CB 4.39Å; F17-P108 HydrophobicContact CZ-CB 4.12Å
18A94.1Very high88.9Confident3 Ų362 Ų623%0.02535%0.346CS..Hα-helixtrans-62.5-45179.700000112F14 R15 H20 E29 M30 N34F14-A18 HydrophobicContact CE1-CB 4.39Å; F14-A18 WeakPolarHBondContact O-CB 3.25Å; F14-A18 PolarHBondContact O-N 3.36Å; R15-A18 PolarHBondContact O-N 2.9Å; A18-H20 VanDerWaalsContact C-N 3.27Å; A18-H20 PolarHBondContact O-N 3.48Å; A18-E29 WeakPolarHBondContact CB-O 3.39Å; A18-M30 HydrophobicContact CB-CB 4.45Å; A18-M30 HydrophobicContact CB-CE 4.46Å; A18-N34 PolarHBondContact O-ND2 2.98Å
19I93.6Very high89.9Confident81 Ų8164.1 Ų64.142%0.41535%0.346SS..THydrogen-bonded Turntrans-80.7-3.9178.569.5178.7000114.1R15 G21 D22 A25R15-I19 WeakPolarHBondContact O-CG1 3.41Å; R15-I19 PolarHBondContact O-N 3.01Å; R15-I19 VanDerWaalsContact O-N 3.12Å; I19-G21 PolarHBondContact O-N 3.36Å; I19-D22 PolarHBondContact O-N 2.63Å; I19-A25 HydrophobicContact CG2-CB 4.36Å; I19-A25 WeakPolarHBondContact CG2-O 3.34Å
20H90.7Very high90.4Very high46 Ų4663.4 Ų63.421%0.21334%0.339CS..THydrogen-bonded Turntrans-66.4121.2-173.9-175.369.4000111.7F17 A18 D22 N34 K37 P108 N110F17-H20 VanDerWaalsContact O-CB 3.31Å; F17-H20 WeakPolarHBondContact O-CB 3.36Å; F17-H20 PolarHBondContact O-N 2.93Å; A18-H20 VanDerWaalsContact C-N 3.27Å; A18-H20 PolarHBondContact O-N 3.48Å; H20-D22 PolarHBondContact O-N 2.94Å; H20-N34 PolarHBondContact O-ND2 3.16Å; H20-N34 PolarHBondContact O-OD1 2.62Å; H20-K37 WeakPolarHBondContact NE2-CE 3.47Å; H20-P108 HydrophobicContact CB-CB 4.17Å; H20-P108 HydrophobicContact CB-CG 3.97Å; H20-P108 WeakPolarHBondContact ND1-CB 3.43Å; H20-P108 WeakPolarHBondContact ND1-CG 3.47Å; H20-N110 PolarHBondContact CE1-OD1 2.94Å
21G85.1Confident90.6Very high76 Ų7665.8 Ų65.878%0.78435%0.351SS*.THydrogen-bonded Turntrans79.1-0.6177.900000115.1I19I19-G21 PolarHBondContact O-N 3.36Å
22D83.4Confident90.8Very high76 Ų7663.3 Ų63.341%0.40634%0.344SS..  trans-135.198.9171.5-171.7-9.8000110.4I19 H20 K24 A25I19-D22 PolarHBondContact O-N 2.63Å; H20-D22 PolarHBondContact O-N 2.94Å; D22-K24 PolarHBondContact O-N 2.91Å; D22-K24 VanDerWaalsContact O-N 3.1Å; D22-K24 PolarHBondContact OD1-N 3.39Å; D22-A25 HydrophobicContact CB-CB 4.17Å; D22-A25 WeakPolarHBondContact O-CB 3.47Å; D22-A25 PolarHBondContact O-N 3.42Å; D22-A25 VanDerWaalsContact O-N 3.14Å
23P79.4Confident90.8Very high130 Ų13066.6 Ų66.684%0.84436%0.357SS*.THydrogen-bonded Turntrans-68.1-8.5-177.429.2-35.1000113.7
24K85.2Confident90.9Very high193 Ų19366.7 Ų66.784%0.83936%0.358SS*.THydrogen-bonded Turntrans-95.2-8.8176.8-63.1-178179.5-1780113D22D22-K24 PolarHBondContact O-N 2.91Å; D22-K24 VanDerWaalsContact O-N 3.1Å; D22-K24 PolarHBondContact OD1-N 3.39Å
25A88Confident91Very high34 Ų3466.5 Ų66.528%0.28136%0.357SS..  trans-67.413818000000111I19 D22 G27I19-A25 HydrophobicContact CG2-CB 4.36Å; I19-A25 WeakPolarHBondContact CG2-O 3.34Å; D22-A25 HydrophobicContact CB-CB 4.17Å; D22-A25 WeakPolarHBondContact O-CB 3.47Å; D22-A25 PolarHBondContact O-N 3.42Å; D22-A25 VanDerWaalsContact O-N 3.14Å; A25-G27 PolarHBondContact O-N 3Å
26S86.1Confident91.1Very high83 Ų8360.8 Ų60.858%0.5834%0.339SS*.  trans-75.8-10.4-18061.50000113.9Q28S26-Q28 PolarHBondContact O-N 3.41Å; S26-Q28 PolarHBondContact OG-N 3.43Å; S26-Q28 PolarHBondContact OG-OE1 2.64Å
27G89.1Confident91.1Very high4 Ų460.3 Ų60.34%0.04134%0.337CS..SBendtrans75.97.1-173.900000114.3F14 A25F14-G27 WeakPolarHBondContact CE1-O 3.5Å; A25-G27 PolarHBondContact O-N 3Å
28Q92Very high91.1Very high142 Ų14260.3 Ų60.366%0.66434%0.337SS*.SBendtrans-87.7-22.5178.9-65177.2-37.900113.2S26S26-Q28 PolarHBondContact O-N 3.41Å; S26-Q28 PolarHBondContact OG-N 3.43Å; S26-Q28 PolarHBondContact OG-OE1 2.64Å
29E94.5Very high91.1Very high104 Ų10460.2 Ų60.249%0.48634%0.336SS..EExtended strand (participates in β ladder)trans-133.2147.9-176.1-58.8-178.4128.900110.7A18 V69 I70A18-E29 WeakPolarHBondContact CB-O 3.39Å; E29-V69 HydrophobicContact CB-CB 4.04Å; E29-V69 HydrophobicContact CB-CG2 4.01Å; E29-V69 HydrophobicContact CG-CG2 4.35Å; E29-I70 CarbonylContact C-O 3.5Å; E29-I70 VanDerWaalsContact CA-O 3.28Å; E29-I70 WeakPolarHBondContact CA-O 3.43Å
30M95.1Very high91.1Very high0 Ų063.2 Ų63.20%035%0.346CS..EExtended strand (participates in β ladder)trans-122.3129.9-177.6-175.3178.4-66.600110.7F14 F17 A18 N34 W35 L38 V69 I70 F75F14-M30 HydrophobicContact CD2-CE 3.44Å; F14-M30 VanDerWaalsContact CD2-CE 3.44Å; F14-M30 HydrophobicContact CD2-SD 4.48Å; F14-M30 HydrophobicContact CE2-CB 3.71Å; F14-M30 HydrophobicContact CE2-CE 3.79Å; F14-M30 HydrophobicContact CE2-SD 4.47Å; F14-M30 HydrophobicContact CG-CE 4.11Å; F14-M30 HydrophobicContact CZ-CB 4.1Å; F14-M30 WeakPolarHBondContact O-CE 3.21Å; F17-M30 HydrophobicContact CB-CE 3.55Å; A18-M30 HydrophobicContact CB-CB 4.45Å; A18-M30 HydrophobicContact CB-CE 4.46Å; M30-N34 HydrophobicContact CG-CB 3.88Å; M30-W35 HydrophobicContact CG-CB 4.38Å; M30-W35 HydrophobicContact SD-CB 3.99Å; M30-W35 HydrophobicContact SD-CE3 4.43Å; M30-L38 HydrophobicContact CE-CD1 3.86Å; M30-L38 HydrophobicContact SD-CD1 4.26Å; M30-V69 CarbonylContact O-C 3.56Å; M30-V69 WeakPolarHBondContact O-CA 3.37Å; M30-I70 HydrophobicContact CB-CG1 4.25Å; M30-I70 PolarHBondContact N-O 3.19Å; M30-I70 PolarHBondContact O-N 2.92Å; M30-F75 HydrophobicContact CE-CE2 4.49Å; M30-F75 HydrophobicContact SD-CD2 4.45Å
31N94.8Very high91.1Very high51 Ų5163 Ų6327%0.27335%0.347SS..EExtended strand (participates in β ladder)trans-80.9164.1174.268.553.1000112.2K33 N34 W35 V69N31-K33 VanDerWaalsContact C-N 3.29Å; N31-K33 PolarHBondContact O-N 2.82Å; N31-K33 WeakPolarHBondContact OD1-CB 3.19Å; N31-K33 PolarHBondContact OD1-N 3.38Å; N31-K33 VanDerWaalsContact OD1-N 3.1Å; N31-N34 PolarHBondContact ND2-ND2 3.28Å; N31-N34 PolarHBondContact O-N 3.25Å; N31-N34 WeakPolarHBondContact OD1-CB 3.39Å; N31-N34 PolarHBondContact OD1-N 3.11Å; N31-W35 PolarHBondContact O-N 3.41Å; N31-V69 HydrophobicContact CB-CG1 4.1Å
32G93.9Very high91.5Very high16 Ų1659.4 Ų59.417%0.16531%0.31CS..Hα-helixtrans-60.9-33.5-177.400000114.4W35 A36 F59G32-W35 PolarHBondContact O-N 3.01Å; G32-A36 WeakPolarHBondContact O-CB 3.36Å; G32-A36 PolarHBondContact O-N 3.31Å; G32-F59 VanDerWaalsContact CA-CZ 3.43Å
33K93.9Very high91.8Very high166 Ų16662.9 Ų62.972%0.72232%0.321SS*.Hα-helixtrans-64.7-45.4176.4176.8-172.8170.3-171.90111.1N31 A36 K37N31-K33 VanDerWaalsContact C-N 3.29Å; N31-K33 PolarHBondContact O-N 2.82Å; N31-K33 WeakPolarHBondContact OD1-CB 3.19Å; N31-K33 PolarHBondContact OD1-N 3.38Å; N31-K33 VanDerWaalsContact OD1-N 3.1Å; K33-A36 PolarHBondContact O-N 2.77Å; K33-K37 WeakPolarHBondContact O-CB 3.44Å; K33-K37 PolarHBondContact O-N 3.48Å
34N94.8Very high92.4Very high2 Ų256.7 Ų56.71%0.01128%0.281CS..Hα-helixtrans-71.2-36.4-179.8-71.6-3.1000111.2F17 A18 H20 M30 N31 K37 L38F17-N34 WeakPolarHBondContact O-CB 3.32Å; F17-N34 VanDerWaalsContact O-CG 3.28Å; F17-N34 PolarHBondContact O-ND2 3.12Å; A18-N34 PolarHBondContact O-ND2 2.98Å; H20-N34 PolarHBondContact O-ND2 3.16Å; H20-N34 PolarHBondContact O-OD1 2.62Å; M30-N34 HydrophobicContact CG-CB 3.88Å; N31-N34 PolarHBondContact ND2-ND2 3.28Å; N31-N34 PolarHBondContact O-N 3.25Å; N31-N34 WeakPolarHBondContact OD1-CB 3.39Å; N31-N34 PolarHBondContact OD1-N 3.11Å; N34-K37 WeakPolarHBondContact O-CB 3.22Å; N34-K37 PolarHBondContact O-N 3.15Å; N34-L38 WeakPolarHBondContact O-CB 3.39Å; N34-L38 PolarHBondContact O-N 2.93Å
35W96.3Very high92.8Very high0 Ų048.6 Ų48.60%025%0.25CS..Hα-helixtrans-59.6-51169.9166.5-110.2000112.1M30 N31 G32 K37 L38 C39 V55 V58 F59 F75 A78 L79 L82M30-W35 HydrophobicContact CG-CB 4.38Å; M30-W35 HydrophobicContact SD-CB 3.99Å; M30-W35 HydrophobicContact SD-CE3 4.43Å; N31-W35 PolarHBondContact O-N 3.41Å; G32-W35 PolarHBondContact O-N 3.01Å; W35-K37 PolarHBondContact O-N 3.15Å; W35-L38 HydrophobicContact CZ3-CD2 4.48Å; W35-L38 WeakPolarHBondContact O-CB 3.34Å; W35-L38 PolarHBondContact O-N 3.27Å; W35-L38 VanDerWaalsContact O-N 3.14Å; W35-C39 PolarHBondContact O-N 3.34Å; W35-C39 PolarHBondContact O-SG 3.06Å; W35-C39 VanDerWaalsContact O-SG 3.41Å; W35-V55 HydrophobicContact CG-CG1 4.48Å; W35-V55 PolarHBondContact NE1-O 2.98Å; W35-V58 HydrophobicContact CZ2-CG1 4.5Å; W35-F59 HydrophobicContact CB-CD2 3.83Å; W35-F59 HydrophobicContact CB-CE2 4.08Å; W35-F59 AromaticContact CD1-CD2 3.54Å; W35-F59 AromaticContact CD1-CG 3.89Å; W35-F59 HydrophobicContact CD2-CD2 4.49Å; W35-F59 AromaticContact CG-CD2 3.68Å; W35-F59 HydrophobicContact CG-CD2 3.68Å; W35-F59 HydrophobicContact CG-CE2 4.4Å; W35-F59 HydrophobicContact CG-CG 4.46Å; W35-F75 AromaticContact CE3-CD2 3.76Å; W35-F75 HydrophobicContact CE3-CD2 3.76Å; W35-F75 AromaticContact CE3-CE2 3.82Å; W35-F75 HydrophobicContact CE3-CE2 3.82Å; W35-F75 AromaticContact CZ3-CD2 3.53Å; W35-F75 HydrophobicContact CZ3-CD2 3.53Å; W35-F75 AromaticContact CZ3-CE2 3.48Å; W35-F75 HydrophobicContact CZ3-CE2 3.48Å; W35-F75 VanDerWaalsContact CZ3-CE2 3.48Å; W35-A78 HydrophobicContact CH2-CB 3.59Å; W35-A78 HydrophobicContact CZ2-CB 3.74Å; W35-A78 HydrophobicContact CZ3-CB 4.29Å; W35-L79 HydrophobicContact CH2-CD2 3.98Å; W35-L79 HydrophobicContact CH2-CG 4.36Å; W35-L79 HydrophobicContact CZ3-CD2 4.05Å; W35-L79 HydrophobicContact CZ3-CG 4.37Å; W35-L82 HydrophobicContact CH2-CD1 3.76Å; W35-L82 HydrophobicContact CZ2-CD1 3.48Å; W35-L82 VanDerWaalsContact CZ2-CD1 3.48Å; W35-L82 HydrophobicContact CZ2-CG 4.34Å
36A94.9Very high92.8Very high20 Ų2049.8 Ų49.817%0.16525%0.252CS..Hα-helixtrans-60.8-35.3177.100000112.2G32 K33 K40 V55G32-A36 WeakPolarHBondContact O-CB 3.36Å; G32-A36 PolarHBondContact O-N 3.31Å; K33-A36 PolarHBondContact O-N 2.77Å; A36-K40 WeakPolarHBondContact O-CG 3.38Å; A36-K40 PolarHBondContact O-N 3.29Å; A36-V55 HydrophobicContact CB-CG1 4.36Å
37K93.3Very high92.9Very high39 Ų3948.7 Ų48.717%0.1725%0.253CS..Hα-helixtrans-65.1-48.3173.5-165.1-167.8-167.4-39.60111.6F17 H20 K33 N34 W35 C39 K40 D41 P108 A109F17-K37 HydrophobicContact CD1-CD 4.45Å; F17-K37 HydrophobicContact CE1-CD 4.24Å; F17-K37 HydrophobicContact CE1-CG 4.24Å; H20-K37 WeakPolarHBondContact NE2-CE 3.47Å; K33-K37 WeakPolarHBondContact O-CB 3.44Å; K33-K37 PolarHBondContact O-N 3.48Å; N34-K37 WeakPolarHBondContact O-CB 3.22Å; N34-K37 PolarHBondContact O-N 3.15Å; W35-K37 PolarHBondContact O-N 3.15Å; K37-C39 VanDerWaalsContact C-N 3.29Å; K37-C39 PolarHBondContact O-N 3.34Å; K37-K40 PolarHBondContact O-N 2.97Å; K37-K40 VanDerWaalsContact O-N 3.11Å; K37-D41 IonicContact NZ-OD1 3.23Å; K37-D41 PolarHBondContact NZ-OD1 2.96Å; K37-D41 VanDerWaalsContact NZ-OD1 3.08Å; K37-D41 IonicContact NZ-OD2 3.41Å; K37-D41 PolarHBondContact NZ-OD2 2.61Å; K37-D41 WeakPolarHBondContact O-CB 3.41Å; K37-D41 PolarHBondContact O-N 3.02Å; K37-P108 HydrophobicContact CD-CB 4.11Å; K37-A109 PolarHBondContact NZ-O 3.12Å
38L95.1Very high92.9Very high0 Ų057.5 Ų57.50%029%0.291CS..Hα-helixtrans-55.4-47.4176.7-177.4155.9000110.4F17 M30 N34 W35 K40 D41 C42 F75 V103F17-L38 HydrophobicContact CB-CB 4.43Å; F17-L38 HydrophobicContact CB-CD1 4.02Å; F17-L38 HydrophobicContact CD1-CB 3.7Å; F17-L38 HydrophobicContact CD1-CG 4.38Å; F17-L38 HydrophobicContact CD2-CB 4.24Å; F17-L38 HydrophobicContact CD2-CD1 3.78Å; F17-L38 HydrophobicContact CD2-CG 4.03Å; F17-L38 VanDerWaalsContact CE1-CA 3.46Å; F17-L38 HydrophobicContact CE1-CB 3.93Å; F17-L38 HydrophobicContact CE2-CB 4.45Å; F17-L38 HydrophobicContact CE2-CD1 4.4Å; F17-L38 HydrophobicContact CE2-CG 4.2Å; F17-L38 HydrophobicContact CG-CB 3.88Å; F17-L38 HydrophobicContact CG-CD1 3.88Å; F17-L38 HydrophobicContact CG-CG 4.14Å; F17-L38 HydrophobicContact CZ-CB 4.31Å; F17-L38 HydrophobicContact CZ-CG 4.45Å; M30-L38 HydrophobicContact CE-CD1 3.86Å; M30-L38 HydrophobicContact SD-CD1 4.26Å; N34-L38 WeakPolarHBondContact O-CB 3.39Å; N34-L38 PolarHBondContact O-N 2.93Å; W35-L38 HydrophobicContact CZ3-CD2 4.48Å; W35-L38 WeakPolarHBondContact O-CB 3.34Å; W35-L38 PolarHBondContact O-N 3.27Å; W35-L38 VanDerWaalsContact O-N 3.14Å; L38-K40 VanDerWaalsContact C-N 3.26Å; L38-K40 PolarHBondContact O-N 3.09Å; L38-D41 PolarHBondContact O-N 3.35Å; L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.16Å; L38-C42 PolarHBondContact O-SG 3.24Å; L38-F75 HydrophobicContact CD1-CE2 3.73Å; L38-F75 HydrophobicContact CD1-CZ 3.98Å; L38-F75 HydrophobicContact CD2-CE2 4.27Å; L38-V103 HydrophobicContact CD1-CG1 4.1Å; L38-V103 HydrophobicContact CD2-CG1 3.93Å; L38-V103 HydrophobicContact CD2-CG2 3.9Å; L38-V103 HydrophobicContact CG-CG1 4.19Å
39C94.7Very high92.8Very high1 Ų152.6 Ų52.61%0.00728%0.275CS..Hα-helixtrans-62.7-33.1180-65.60000113W35 K37 K43 V44 A45 V55W35-C39 PolarHBondContact O-N 3.34Å; W35-C39 PolarHBondContact O-SG 3.06Å; W35-C39 VanDerWaalsContact O-SG 3.41Å; K37-C39 VanDerWaalsContact C-N 3.29Å; K37-C39 PolarHBondContact O-N 3.34Å; C39-K43 CarbonylContact O-C 3.53Å; C39-K43 PolarHBondContact O-N 3.38Å; C39-V44 HydrophobicContact CB-CB 4.27Å; C39-V44 PolarHBondContact O-N 3.29Å; C39-A45 HydrophobicContact CB-CB 4.35Å; C39-A45 PolarHBondContact O-N 2.6Å; C39-V55 HydrophobicContact CB-CG1 3.92Å; C39-V55 HydrophobicContact CB-CG2 3.85Å
40K92.6Very high92.7Very high144 Ų14447.7 Ų47.763%0.62625%0.252SS*.Hα-helixtrans-76-51.8176.2-71.8176.4-174.8-179.90112.3A36 K37 L38 C42 K43A36-K40 WeakPolarHBondContact O-CG 3.38Å; A36-K40 PolarHBondContact O-N 3.29Å; K37-K40 PolarHBondContact O-N 2.97Å; K37-K40 VanDerWaalsContact O-N 3.11Å; L38-K40 VanDerWaalsContact C-N 3.26Å; L38-K40 PolarHBondContact O-N 3.09Å; K40-C42 VanDerWaalsContact C-N 3.31Å; K40-C42 PolarHBondContact O-N 3.31Å; K40-K43 WeakPolarHBondContact O-CA 3.47Å; K40-K43 PolarHBondContact O-N 3.34Å
41D91.4Very high92.7Very high42 Ų4250 Ų5023%0.22527%0.266CS..Hα-helixtrans-63-38.4-177.4-74.415.9000111.9F17 K37 L38 K43 P108 A109F17-D41 HydrophobicContact CE1-CB 4.2Å; F17-D41 HydrophobicContact CZ-CB 3.9Å; K37-D41 IonicContact NZ-OD1 3.23Å; K37-D41 PolarHBondContact NZ-OD1 2.96Å; K37-D41 VanDerWaalsContact NZ-OD1 3.08Å; K37-D41 IonicContact NZ-OD2 3.41Å; K37-D41 PolarHBondContact NZ-OD2 2.61Å; K37-D41 WeakPolarHBondContact O-CB 3.41Å; K37-D41 PolarHBondContact O-N 3.02Å; L38-D41 PolarHBondContact O-N 3.35Å; D41-K43 PolarHBondContact O-N 3.06Å; D41-P108 WeakPolarHBondContact OD2-CA 3.47Å; D41-A109 PolarHBondContact OD2-N 2.75Å
42C92.5Very high92.6Very high1 Ų149.4 Ų49.41%0.00727%0.272CS..THydrogen-bonded Turntrans-82.2-0.9177.4-53.80000112.6L38 K40 V44 L102 V103 K106L38-C42 WeakPolarHBondContact O-CB 3.4Å; L38-C42 PolarHBondContact O-N 3.16Å; L38-C42 PolarHBondContact O-SG 3.24Å; K40-C42 VanDerWaalsContact C-N 3.31Å; K40-C42 PolarHBondContact O-N 3.31Å; C42-V44 HydrophobicContact CB-CG2 3.93Å; C42-V44 PolarHBondContact O-N 3.36Å; C42-L102 WeakPolarHBondContact CB-O 3.25Å; C42-V103 HydrophobicContact CB-CG2 3.9Å; C42-K106 HydrophobicContact CB-CD 3.88Å; C42-K106 VanDerWaalsContact SG-CD 3.59Å
43K90.7Very high92.7Very high148 Ų14853.2 Ų53.264%0.64329%0.292SS*.THydrogen-bonded Turntrans55.429.1-175.1-53.5-176.7178.4179.60113.2C39 K40 D41 R86C39-K43 CarbonylContact O-C 3.53Å; C39-K43 PolarHBondContact O-N 3.38Å; K40-K43 WeakPolarHBondContact O-CA 3.47Å; K40-K43 PolarHBondContact O-N 3.34Å; D41-K43 PolarHBondContact O-N 3.06Å; K43-R86 PolarHBondContact O-NH1 2.75Å; K43-R86 PolarHBondContact O-NH2 3.22Å
44V92.3Very high92.8Very high0 Ų046.9 Ų46.90%027%0.266CS..  trans-72.2-32.4172.9171.60000111.2C39 C42 D46 L82 R86 I99 L102 V103C39-V44 HydrophobicContact CB-CB 4.27Å; C39-V44 PolarHBondContact O-N 3.29Å; C42-V44 HydrophobicContact CB-CG2 3.93Å; C42-V44 PolarHBondContact O-N 3.36Å; V44-D46 PolarHBondContact O-N 2.92Å; V44-L82 HydrophobicContact CG1-CB 4.39Å; V44-L82 HydrophobicContact CG1-CD1 3.76Å; V44-R86 VanDerWaalsContact CA-NH1 3.35Å; V44-R86 PolarHBondContact O-NH1 3.39Å; V44-I99 HydrophobicContact CG1-CD1 3.53Å; V44-I99 HydrophobicContact CG1-CG1 3.99Å; V44-I99 HydrophobicContact CG2-CD1 4.46Å; V44-I99 HydrophobicContact CG2-CG1 3.98Å; V44-L102 HydrophobicContact CG2-CB 4.46Å; V44-V103 HydrophobicContact CG2-CG2 3.74Å
45A92.3Very high92.8Very high23 Ų2346.9 Ų46.919%0.1927%0.266CS..  trans-84.3105.2161.500000108.5C39 V50 V55C39-A45 HydrophobicContact CB-CB 4.35Å; C39-A45 PolarHBondContact O-N 2.6Å; A45-V50 CarbonylContact C-O 3.6Å; A45-V50 WeakPolarHBondContact CA-O 3.47Å; A45-V50 HydrophobicContact CB-CG1 4.39Å; A45-V55 HydrophobicContact CB-CG2 4.1Å
46D88.8Confident92.8Very high60 Ų6050.8 Ų50.832%0.32129%0.287SS..  trans-87-8177.361-1.2000113V44 K48 A49 V50V44-D46 PolarHBondContact O-N 2.92Å; D46-K48 PolarHBondContact O-N 3.08Å; D46-K48 PolarHBondContact OD1-N 2.85Å; D46-A49 PolarHBondContact OD1-N 3.22Å; D46-A49 PolarHBondContact OD2-N 2.92Å; D46-V50 PolarHBondContact N-O 3.19Å; D46-V50 PolarHBondContact OD1-N 3.31Å
47G88.3Confident92.9Very high59 Ų5954.2 Ų54.261%0.60830%0.301SS*.SBendtrans70.77.5-174.900000113.9V50G47-V50 PolarHBondContact N-O 3.45Å
48K88.5Confident93Very high189 Ų18952.3 Ų52.382%0.82229%0.293SS*.SBendtrans-118.8-68.9179.4-62.4-176.2-177.9-178.10110.7D46D46-K48 PolarHBondContact O-N 3.08Å; D46-K48 PolarHBondContact OD1-N 2.85Å
49A90.1Very high93.1Very high40 Ų4052.9 Ų52.933%0.33130%0.296SS..SBendtrans-88.3-31.5178.600000112D46D46-A49 PolarHBondContact OD1-N 3.22Å; D46-A49 PolarHBondContact OD2-N 2.92Å
50V93.6Very high93.2Very high0 Ų056.3 Ų56.30%032%0.32CS..SBendtrans-124.8107.3177.1177.40000108.6A45 D46 G47 D54 V55 L82 K85 R86A45-V50 CarbonylContact C-O 3.6Å; A45-V50 WeakPolarHBondContact CA-O 3.47Å; A45-V50 HydrophobicContact CB-CG1 4.39Å; D46-V50 PolarHBondContact N-O 3.19Å; D46-V50 PolarHBondContact OD1-N 3.31Å; G47-V50 PolarHBondContact N-O 3.45Å; V50-D54 HydrophobicContact CG1-CB 4.34Å; V50-V55 HydrophobicContact CG1-CG2 3.82Å; V50-L82 HydrophobicContact CG1-CD1 4.5Å; V50-L82 HydrophobicContact CG1-CD2 3.7Å; V50-L82 HydrophobicContact CG2-CD2 4.28Å; V50-K85 HydrophobicContact CG2-CB 4.12Å; V50-R86 HydrophobicContact CG2-CB 3.92Å
51T95.1Very high93.3Very high49 Ų4956 Ų5630%0.30132%0.318SS..  trans-91.4168.4176.769.80000111.7T53 D54 V55T51-T53 PolarHBondContact O-N 2.96Å; T51-D54 WeakPolarHBondContact CB-OD2 2.75Å; T51-D54 PolarHBondContact N-OD2 3.4Å; T51-D54 WeakPolarHBondContact O-CB 3.26Å; T51-D54 PolarHBondContact O-N 3.16Å; T51-D54 VanDerWaalsContact O-N 3.13Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 3.14Å; T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 2.86Å; T51-V55 VanDerWaalsContact O-N 3.12Å
52G92.8Very high93.5Very high38 Ų3855.2 Ų55.239%0.39232%0.315SS..Hα-helixtrans-57.6-38.4172.900000112.4D54 V55 D56G52-D54 PolarHBondContact O-N 3.38Å; G52-V55 WeakPolarHBondContact O-CB 3.4Å; G52-V55 PolarHBondContact O-N 3.31Å; G52-D56 PolarHBondContact O-N 3.36Å; G52-D56 VanDerWaalsContact O-N 3.11Å
53T95.6Very high93.6Very high96 Ų9657.4 Ų57.459%0.58932%0.324SS*.Hα-helixtrans-63.6-40175.3-53.60000111.9T51 V55 D56 I57T51-T53 PolarHBondContact O-N 2.96Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 2.98Å; T53-D56 PolarHBondContact O-N 2.87Å; T53-I57 HydrophobicContact CG2-CD1 3.89Å; T53-I57 HydrophobicContact CG2-CG1 4.45Å; T53-I57 WeakPolarHBondContact O-CB 3.39Å; T53-I57 VanDerWaalsContact O-CG1 3.25Å; T53-I57 WeakPolarHBondContact O-CG1 3.45Å; T53-I57 PolarHBondContact O-N 3.28Å
54D94.6Very high93.7Very high33 Ų3351.9 Ų51.918%0.17631%0.31CS..Hα-helixtrans-61-40.8174.4-70.6-74.2000112V50 T51 G52 I57 V58 K85V50-D54 HydrophobicContact CG1-CB 4.34Å; T51-D54 WeakPolarHBondContact CB-OD2 2.75Å; T51-D54 PolarHBondContact N-OD2 3.4Å; T51-D54 WeakPolarHBondContact O-CB 3.26Å; T51-D54 PolarHBondContact O-N 3.16Å; T51-D54 VanDerWaalsContact O-N 3.13Å; T51-D54 PolarHBondContact OG1-N 3.49Å; T51-D54 PolarHBondContact OG1-OD2 3.14Å; G52-D54 PolarHBondContact O-N 3.38Å; D54-I57 PolarHBondContact O-N 3.4Å; D54-V58 WeakPolarHBondContact O-CG2 3.33Å; D54-V58 PolarHBondContact O-N 3.46Å; D54-K85 IonicContact OD1-NZ 2.6Å; D54-K85 PolarHBondContact OD1-NZ 2.94Å
55V96.3Very high93.6Very high3 Ų362.2 Ų62.22%0.01836%0.355CS..Hα-helixtrans-61.4-44.1178.3171.60000111.1W35 A36 C39 A45 V50 T51 G52 T53 F59 L82W35-V55 HydrophobicContact CG-CG1 4.48Å; W35-V55 PolarHBondContact NE1-O 2.98Å; A36-V55 HydrophobicContact CB-CG1 4.36Å; C39-V55 HydrophobicContact CB-CG1 3.92Å; C39-V55 HydrophobicContact CB-CG2 3.85Å; A45-V55 HydrophobicContact CB-CG2 4.1Å; V50-V55 HydrophobicContact CG1-CG2 3.82Å; T51-V55 WeakPolarHBondContact O-CG2 3.47Å; T51-V55 PolarHBondContact O-N 2.86Å; T51-V55 VanDerWaalsContact O-N 3.12Å; G52-V55 WeakPolarHBondContact O-CB 3.4Å; G52-V55 PolarHBondContact O-N 3.31Å; T53-V55 VanDerWaalsContact C-N 3.3Å; T53-V55 PolarHBondContact O-N 2.98Å; V55-F59 WeakPolarHBondContact O-CB 3.12Å; V55-F59 PolarHBondContact O-N 3.18Å; V55-L82 HydrophobicContact CG2-CD1 4.4Å
56D95.6Very high93.5Very high82 Ų8266.4 Ų66.444%0.43938%0.383SS..Hα-helixtrans-69.1-37.4177.5-71.9-47.9000112.7G52 T53 S60G52-D56 PolarHBondContact O-N 3.36Å; G52-D56 VanDerWaalsContact O-N 3.11Å; T53-D56 PolarHBondContact O-N 2.87Å; D56-S60 WeakPolarHBondContact O-CB 3.45Å; D56-S60 PolarHBondContact O-N 2.93Å; D56-S60 PolarHBondContact O-OG 3.21Å
57I96.1Very high93.7Very high91 Ų9165.2 Ų65.247%0.46738%0.381SS..Hα-helixtrans-63.8-49.1175.3-71.6166.9000110.4T53 D54 F59 S60 K61T53-I57 HydrophobicContact CG2-CD1 3.89Å; T53-I57 HydrophobicContact CG2-CG1 4.45Å; T53-I57 WeakPolarHBondContact O-CB 3.39Å; T53-I57 VanDerWaalsContact O-CG1 3.25Å; T53-I57 WeakPolarHBondContact O-CG1 3.45Å; T53-I57 PolarHBondContact O-N 3.28Å; D54-I57 PolarHBondContact O-N 3.4Å; I57-F59 PolarHBondContact O-N 3.1Å; I57-S60 PolarHBondContact O-N 3.28Å; I57-S60 VanDerWaalsContact O-N 3.16Å; I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 2.84Å
58V96.7Very high93.9Very high0 Ų072.9 Ų72.90%039%0.392CS..Hα-helixtrans-61.8-45.3179.9170.60000110.5W35 D54 S60 K61 V62 A78 E81 L82W35-V58 HydrophobicContact CZ2-CG1 4.5Å; D54-V58 WeakPolarHBondContact O-CG2 3.33Å; D54-V58 PolarHBondContact O-N 3.46Å; V58-S60 VanDerWaalsContact C-N 3.26Å; V58-S60 PolarHBondContact O-N 2.9Å; V58-K61 PolarHBondContact O-N 3.49Å; V58-K61 VanDerWaalsContact O-N 3.09Å; V58-V62 HydrophobicContact CG1-CG1 4.38Å; V58-V62 WeakPolarHBondContact O-CG2 2.9Å; V58-V62 PolarHBondContact O-N 2.95Å; V58-A78 HydrophobicContact CG1-CB 3.7Å; V58-E81 HydrophobicContact CG1-CB 4.13Å; V58-E81 HydrophobicContact CG1-CG 4.44Å; V58-E81 HydrophobicContact CG2-CB 4.42Å; V58-E81 HydrophobicContact CG2-CG 3.95Å; V58-L82 HydrophobicContact CB-CD2 4.33Å; V58-L82 HydrophobicContact CG1-CG 4.4Å; V58-L82 HydrophobicContact CG2-CD2 3.81Å; V58-L82 HydrophobicContact CG2-CG 4.41Å
59F96.5Very high94.2Very high12 Ų1266 Ų665%0.05337%0.365CS..Hα-helixtrans-54.2-46.4174.3-174.9-95.7000111.6G32 W35 V55 I57 K61 K63 I70G32-F59 VanDerWaalsContact CA-CZ 3.43Å; W35-F59 HydrophobicContact CB-CD2 3.83Å; W35-F59 HydrophobicContact CB-CE2 4.08Å; W35-F59 AromaticContact CD1-CD2 3.54Å; W35-F59 AromaticContact CD1-CG 3.89Å; W35-F59 HydrophobicContact CD2-CD2 4.49Å; W35-F59 AromaticContact CG-CD2 3.68Å; W35-F59 HydrophobicContact CG-CD2 3.68Å; W35-F59 HydrophobicContact CG-CE2 4.4Å; W35-F59 HydrophobicContact CG-CG 4.46Å; V55-F59 WeakPolarHBondContact O-CB 3.12Å; V55-F59 PolarHBondContact O-N 3.18Å; I57-F59 PolarHBondContact O-N 3.1Å; F59-K61 VanDerWaalsContact C-N 3.26Å; F59-K61 PolarHBondContact O-N 3.19Å; F59-K63 HydrophobicContact CD1-CD 3.64Å; F59-K63 HydrophobicContact CE1-CD 3.43Å; F59-K63 VanDerWaalsContact CE1-CD 3.43Å; F59-K63 HydrophobicContact CZ-CD 4.28Å; F59-K63 WeakPolarHBondContact O-CB 3.46Å; F59-K63 WeakPolarHBondContact O-CD 3.45Å; F59-K63 VanDerWaalsContact O-CG 3.26Å; F59-K63 WeakPolarHBondContact O-CG 3.41Å; F59-K63 PolarHBondContact O-N 2.88Å; F59-K63 VanDerWaalsContact O-N 3.16Å; F59-I70 HydrophobicContact CD2-CD1 3.82Å; F59-I70 HydrophobicContact CD2-CG1 4.31Å; F59-I70 HydrophobicContact CD2-CG2 4.04Å; F59-I70 HydrophobicContact CE2-CB 4.23Å; F59-I70 HydrophobicContact CE2-CD1 3.78Å; F59-I70 HydrophobicContact CE2-CG1 3.75Å; F59-I70 HydrophobicContact CE2-CG2 3.65Å; F59-I70 HydrophobicContact CZ-CG2 4.01Å
60S96.4Very high94.5Very high72 Ų7264.1 Ų64.150%0.50335%0.35SS..Hα-helixtrans-68.1-26.2-179-61.80000113.9D56 I57 V58D56-S60 WeakPolarHBondContact O-CB 3.45Å; D56-S60 PolarHBondContact O-N 2.93Å; D56-S60 PolarHBondContact O-OG 3.21Å; I57-S60 PolarHBondContact O-N 3.28Å; I57-S60 VanDerWaalsContact O-N 3.16Å; V58-S60 VanDerWaalsContact C-N 3.26Å; V58-S60 PolarHBondContact O-N 2.9Å
61K95.4Very high94.6Very high138 Ų13866.7 Ų66.760%0.636%0.363SS*.Hα-helixtrans-81.3-40.6179-173-175.8172.3-163.80112.6I57 V58 F59 E81I57-K61 WeakPolarHBondContact O-CB 3.47Å; I57-K61 PolarHBondContact O-N 2.84Å; V58-K61 PolarHBondContact O-N 3.49Å; V58-K61 VanDerWaalsContact O-N 3.09Å; F59-K61 VanDerWaalsContact C-N 3.26Å; F59-K61 PolarHBondContact O-N 3.19Å; K61-E81 WeakPolarHBondContact CD-OE1 3.49Å; K61-E81 WeakPolarHBondContact CD-OE2 3.25Å; K61-E81 VanDerWaalsContact NZ-CD 3.31Å; K61-E81 IonicContact NZ-OE1 3.08Å; K61-E81 PolarHBondContact NZ-OE1 3.1Å; K61-E81 IonicContact NZ-OE2 2.65Å; K61-E81 PolarHBondContact NZ-OE2 3Å
62V95.6Very high94.5Very high26 Ų2666.2 Ų66.216%0.15836%0.356CS..Hα-helixtrans-81.1-26.9-177.3-62.80000113.2V58 I70 E74 K77 A78V58-V62 HydrophobicContact CG1-CG1 4.38Å; V58-V62 WeakPolarHBondContact O-CG2 2.9Å; V58-V62 PolarHBondContact O-N 2.95Å; V62-I70 HydrophobicContact CG2-CG2 4.05Å; V62-E74 HydrophobicContact CB-CB 4.48Å; V62-E74 HydrophobicContact CG2-CB 4.49Å; V62-K77 HydrophobicContact CG1-CB 4.29Å; V62-A78 HydrophobicContact CG1-CB 4.11Å; V62-A78 HydrophobicContact CG2-CB 3.86Å
63K95Very high94.5Very high46 Ų4670.5 Ų70.520%0.237%0.366CS..SBendtrans-74.9148.5-179.476.4-171.2-174.162.10111.3F59 A67 I70F59-K63 HydrophobicContact CD1-CD 3.64Å; F59-K63 HydrophobicContact CE1-CD 3.43Å; F59-K63 VanDerWaalsContact CE1-CD 3.43Å; F59-K63 HydrophobicContact CZ-CD 4.28Å; F59-K63 WeakPolarHBondContact O-CB 3.46Å; F59-K63 WeakPolarHBondContact O-CD 3.45Å; F59-K63 VanDerWaalsContact O-CG 3.26Å; F59-K63 WeakPolarHBondContact O-CG 3.41Å; F59-K63 PolarHBondContact O-N 2.88Å; F59-K63 VanDerWaalsContact O-N 3.16Å; K63-A67 HydrophobicContact CB-CB 4.44Å; K63-A67 WeakPolarHBondContact CD-O 3.46Å; K63-A67 WeakPolarHBondContact CE-O 3.17Å; K63-A67 PolarHBondContact NZ-O 2.97Å; K63-I70 HydrophobicContact CB-CG2 3.46Å; K63-I70 VanDerWaalsContact CB-CG2 3.46Å
64G91.6Very high94.5Very high33 Ų3367.8 Ų67.834%0.3435%0.347SS..PPolyproline II helixtrans-52.7151.7169.200000113.6S66 A67G64-S66 PolarHBondContact O-N 3.23Å; G64-A67 VanDerWaalsContact O-CB 3.25Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.18Å
65K91Very high94.6Very high216 Ų21666.2 Ų66.294%0.93934%0.339SS*.THydrogen-bonded Turntrans-56.7128.5177-166.4176.8-175.6179.80109.4A67K65-A67 PolarHBondContact O-N 2.87Å; K65-A67 VanDerWaalsContact O-N 3.17Å
66S90Very high94.5Very high112 Ų11269.7 Ų69.778%0.78335%0.354SS*.THydrogen-bonded Turntrans68.7-6.4-175.1-151.90000116.6G64G64-S66 PolarHBondContact O-N 3.23Å
67A92.8Very high94.4Very high35 Ų3571.9 Ų71.929%0.28936%0.359SS..  trans-63.914517600000111.2K63 G64 K65K63-A67 HydrophobicContact CB-CB 4.44Å; K63-A67 WeakPolarHBondContact CD-O 3.46Å; K63-A67 WeakPolarHBondContact CE-O 3.17Å; K63-A67 PolarHBondContact NZ-O 2.97Å; G64-A67 VanDerWaalsContact O-CB 3.25Å; G64-A67 WeakPolarHBondContact O-CB 3.46Å; G64-A67 PolarHBondContact O-N 3.18Å; K65-A67 PolarHBondContact O-N 2.87Å; K65-A67 VanDerWaalsContact O-N 3.17Å
68R93.4Very high94.4Very high220 Ų22067.5 Ų67.583%0.8334%0.337SS*.SBendtrans-101.8-7.6176.3-65.4-176.3178.2-178.3-0.9113.1
69V95.1Very high94.3Very high44 Ų4467.5 Ų67.527%0.26734%0.337SS..EExtended strand (participates in β ladder)trans-134.9161.8-174.5-61.50000109.6E29 M30 N31E29-V69 HydrophobicContact CB-CB 4.04Å; E29-V69 HydrophobicContact CB-CG2 4.01Å; E29-V69 HydrophobicContact CG-CG2 4.35Å; M30-V69 CarbonylContact O-C 3.56Å; M30-V69 WeakPolarHBondContact O-CA 3.37Å; N31-V69 HydrophobicContact CB-CG1 4.1Å
70I95.9Very high94.1Very high0 Ų070.1 Ų70.10%035%0.349CS..EExtended strand (participates in β ladder)trans-12214617061.4-179.6000109.9E29 M30 F59 V62 K63 E74 F75E29-I70 CarbonylContact C-O 3.5Å; E29-I70 VanDerWaalsContact CA-O 3.28Å; E29-I70 WeakPolarHBondContact CA-O 3.43Å; M30-I70 HydrophobicContact CB-CG1 4.25Å; M30-I70 PolarHBondContact N-O 3.19Å; M30-I70 PolarHBondContact O-N 2.92Å; F59-I70 HydrophobicContact CD2-CD1 3.82Å; F59-I70 HydrophobicContact CD2-CG1 4.31Å; F59-I70 HydrophobicContact CD2-CG2 4.04Å; F59-I70 HydrophobicContact CE2-CB 4.23Å; F59-I70 HydrophobicContact CE2-CD1 3.78Å; F59-I70 HydrophobicContact CE2-CG1 3.75Å; F59-I70 HydrophobicContact CE2-CG2 3.65Å; F59-I70 HydrophobicContact CZ-CG2 4.01Å; V62-I70 HydrophobicContact CG2-CG2 4.05Å; K63-I70 HydrophobicContact CB-CG2 3.46Å; K63-I70 VanDerWaalsContact CB-CG2 3.46Å; I70-E74 WeakPolarHBondContact CA-OE2 3.47Å; I70-E74 HydrophobicContact CB-CB 3.92Å; I70-E74 HydrophobicContact CG2-CB 4.3Å; I70-F75 HydrophobicContact CD1-CB 4.09Å
71N95.5Very high94Very high54 Ų5468.6 Ų68.629%0.28933%0.334SS..EExtended strand (participates in β ladder)trans-84.7178.1171.667.440.7000111.6E73 E74 F75N71-E73 VanDerWaalsContact C-N 3.31Å; N71-E73 PolarHBondContact O-N 3.42Å; N71-E73 WeakPolarHBondContact OD1-CA 3.39Å; N71-E73 WeakPolarHBondContact OD1-CB 3.39Å; N71-E73 PolarHBondContact OD1-N 3.3Å; N71-E74 PolarHBondContact N-OE2 3.04Å; N71-E74 PolarHBondContact O-N 3.46Å; N71-E74 WeakPolarHBondContact OD1-CG 3.49Å; N71-E74 PolarHBondContact OD1-N 3.1Å; N71-F75 WeakPolarHBondContact O-CB 3.45Å; N71-F75 PolarHBondContact O-N 3.31Å
72Y93.5Very high93.9Very high39 Ų3962 Ų6215%0.15331%0.305CS..Hα-helixtrans-63.7-31.8-178.5-174.5-121000114E11 F14 F75 K76E11-Y72 HydrophobicContact CB-CE1 4.43Å; E11-Y72 HydrophobicContact CB-CE2 4.11Å; E11-Y72 HydrophobicContact CG-CD2 4.47Å; E11-Y72 HydrophobicContact CG-CE1 4.21Å; E11-Y72 HydrophobicContact CG-CE2 4.1Å; F14-Y72 HydrophobicContact CB-CD2 4.1Å; F14-Y72 HydrophobicContact CB-CE2 4.14Å; F14-Y72 AromaticContact CD1-CD2 3.86Å; F14-Y72 HydrophobicContact CD1-CD2 3.86Å; F14-Y72 HydrophobicContact CD2-CD2 4.05Å; F14-Y72 HydrophobicContact CE1-CD2 4.31Å; F14-Y72 HydrophobicContact CE2-CD2 4.48Å; F14-Y72 AromaticContact CG-CD2 3.73Å; F14-Y72 HydrophobicContact CG-CD2 3.73Å; F14-Y72 HydrophobicContact CG-CE2 4.27Å; Y72-F75 AromaticContact CD2-CD1 3.81Å; Y72-F75 HydrophobicContact CD2-CD1 3.81Å; Y72-F75 HydrophobicContact CD2-CE1 4.43Å; Y72-F75 AromaticContact CE2-CD1 3.85Å; Y72-F75 HydrophobicContact CE2-CD1 3.85Å; Y72-F75 HydrophobicContact CE2-CE1 4.09Å; Y72-K76 HydrophobicContact CD1-CD 4.45Å; Y72-K76 HydrophobicContact CE1-CD 3.91Å; Y72-K76 HydrophobicContact CE1-CG 4.42Å; Y72-K76 HydrophobicContact CE2-CG 4.36Å; Y72-K76 WeakPolarHBondContact O-CG 3.39Å; Y72-K76 PolarHBondContact O-N 2.91Å
73E93.1Very high93.7Very high128 Ų12860.8 Ų60.860%0.59830%0.298SS*.Hα-helixtrans-70.9-44.3178.1-59.4-167.8142.700111.8N71 F75 K76 K77N71-E73 VanDerWaalsContact C-N 3.31Å; N71-E73 PolarHBondContact O-N 3.42Å; N71-E73 WeakPolarHBondContact OD1-CA 3.39Å; N71-E73 WeakPolarHBondContact OD1-CB 3.39Å; N71-E73 PolarHBondContact OD1-N 3.3Å; E73-F75 VanDerWaalsContact C-N 3.3Å; E73-K76 PolarHBondContact O-N 2.94Å; E73-K77 WeakPolarHBondContact O-CG 3.5Å; E73-K77 PolarHBondContact O-N 3.17Å; E73-K77 VanDerWaalsContact O-N 3.1Å
74E95.6Very high93.5Very high40 Ų4062.2 Ų62.219%0.18731%0.311CS..Hα-helixtrans-64.4-36.9174.2-68171.4148.800111.2V62 I70 N71 K77 A78V62-E74 HydrophobicContact CB-CB 4.48Å; V62-E74 HydrophobicContact CG2-CB 4.49Å; I70-E74 WeakPolarHBondContact CA-OE2 3.47Å; I70-E74 HydrophobicContact CB-CB 3.92Å; I70-E74 HydrophobicContact CG2-CB 4.3Å; N71-E74 PolarHBondContact N-OE2 3.04Å; N71-E74 PolarHBondContact O-N 3.46Å; N71-E74 WeakPolarHBondContact OD1-CG 3.49Å; N71-E74 PolarHBondContact OD1-N 3.1Å; E74-K77 PolarHBondContact O-N 2.96Å; E74-A78 WeakPolarHBondContact O-CB 3.21Å; E74-A78 PolarHBondContact O-N 3.36Å
75F95.8Very high93.5Very high0 Ų063.5 Ų63.50%031%0.307CS..Hα-helixtrans-60.1-45.8172.4168.2-99000112.5L10 F14 M30 W35 L38 I70 N71 Y72 E73 K77 A78 L79 V103L10-F75 HydrophobicContact CD1-CE1 4.05Å; L10-F75 HydrophobicContact CD1-CZ 4.25Å; L10-F75 HydrophobicContact CD2-CE1 4.38Å; L10-F75 HydrophobicContact CG-CE1 4.09Å; F14-F75 HydrophobicContact CB-CD1 4.47Å; F14-F75 HydrophobicContact CB-CE1 4.12Å; F14-F75 HydrophobicContact CB-CZ 4.37Å; F14-F75 HydrophobicContact CD2-CB 3.96Å; F14-F75 AromaticContact CD2-CD1 3.65Å; F14-F75 HydrophobicContact CD2-CD1 3.65Å; F14-F75 AromaticContact CD2-CD2 3.71Å; F14-F75 HydrophobicContact CD2-CD2 3.71Å; F14-F75 AromaticContact CD2-CE1 3.99Å; F14-F75 HydrophobicContact CD2-CE1 3.99Å; F14-F75 HydrophobicContact CD2-CE2 4.04Å; F14-F75 AromaticContact CD2-CG 3.49Å; F14-F75 HydrophobicContact CD2-CG 3.49Å; F14-F75 VanDerWaalsContact CD2-CG 3.49Å; F14-F75 HydrophobicContact CD2-CZ 4.17Å; F14-F75 HydrophobicContact CE2-CB 3.73Å; F14-F75 HydrophobicContact CE2-CD1 4.29Å; F14-F75 HydrophobicContact CE2-CD2 4.09Å; F14-F75 AromaticContact CE2-CG 3.79Å; F14-F75 HydrophobicContact CE2-CG 3.79Å; F14-F75 HydrophobicContact CG-CD1 4.34Å; F14-F75 HydrophobicContact CG-CE1 4.46Å; M30-F75 HydrophobicContact CE-CE2 4.49Å; M30-F75 HydrophobicContact SD-CD2 4.45Å; W35-F75 AromaticContact CE3-CD2 3.76Å; W35-F75 HydrophobicContact CE3-CD2 3.76Å; W35-F75 AromaticContact CE3-CE2 3.82Å; W35-F75 HydrophobicContact CE3-CE2 3.82Å; W35-F75 AromaticContact CZ3-CD2 3.53Å; W35-F75 HydrophobicContact CZ3-CD2 3.53Å; W35-F75 AromaticContact CZ3-CE2 3.48Å; W35-F75 HydrophobicContact CZ3-CE2 3.48Å; W35-F75 VanDerWaalsContact CZ3-CE2 3.48Å; L38-F75 HydrophobicContact CD1-CE2 3.73Å; L38-F75 HydrophobicContact CD1-CZ 3.98Å; L38-F75 HydrophobicContact CD2-CE2 4.27Å; I70-F75 HydrophobicContact CD1-CB 4.09Å; N71-F75 WeakPolarHBondContact O-CB 3.45Å; N71-F75 PolarHBondContact O-N 3.31Å; Y72-F75 AromaticContact CD2-CD1 3.81Å; Y72-F75 HydrophobicContact CD2-CD1 3.81Å; Y72-F75 HydrophobicContact CD2-CE1 4.43Å; Y72-F75 AromaticContact CE2-CD1 3.85Å; Y72-F75 HydrophobicContact CE2-CD1 3.85Å; Y72-F75 HydrophobicContact CE2-CE1 4.09Å; E73-F75 VanDerWaalsContact C-N 3.3Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3Å; F75-A78 WeakPolarHBondContact O-CB 3.5Å; F75-A78 PolarHBondContact O-N 3.04Å; F75-L79 HydrophobicContact CD1-CD1 4.16Å; F75-L79 HydrophobicContact CE1-CD1 3.48Å; F75-L79 VanDerWaalsContact CE1-CD1 3.48Å; F75-L79 HydrophobicContact CE1-CG 4.32Å; F75-L79 HydrophobicContact CE2-CD1 4.22Å; F75-L79 HydrophobicContact CE2-CG 4.33Å; F75-L79 HydrophobicContact CZ-CD1 3.53Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 HydrophobicContact CZ-CG 4.12Å; F75-L79 PolarHBondContact O-N 3.11Å; F75-V103 HydrophobicContact CZ-CG1 4.48Å
76K93.6Very high93.3Very high76 Ų7655.8 Ų55.833%0.3327%0.272SS..Hα-helixtrans-61.3-42.5174.9-72.9-175-62.9179.60111.7Y72 E73 A78 L79 E80 F96Y72-K76 HydrophobicContact CD1-CD 4.45Å; Y72-K76 HydrophobicContact CE1-CD 3.91Å; Y72-K76 HydrophobicContact CE1-CG 4.42Å; Y72-K76 HydrophobicContact CE2-CG 4.36Å; Y72-K76 WeakPolarHBondContact O-CG 3.39Å; Y72-K76 PolarHBondContact O-N 2.91Å; E73-K76 PolarHBondContact O-N 2.94Å; K76-A78 VanDerWaalsContact C-N 3.3Å; K76-A78 PolarHBondContact O-N 3.33Å; K76-L79 PolarHBondContact O-N 3.23Å; K76-E80 PolarHBondContact O-N 3.47Å; K76-F96 HydrophobicContact CB-CZ 4.47Å
77K94.3Very high93.3Very high127 Ų12752.5 Ų52.555%0.55224%0.243SC*.Hα-helixtrans-61.3-38.8174.7-69.5177.9-172.9173.50112V62 E73 E74 F75 E80 E81V62-K77 HydrophobicContact CG1-CB 4.29Å; E73-K77 WeakPolarHBondContact O-CG 3.5Å; E73-K77 PolarHBondContact O-N 3.17Å; E73-K77 VanDerWaalsContact O-N 3.1Å; E74-K77 PolarHBondContact O-N 2.96Å; F75-K77 VanDerWaalsContact C-N 3.34Å; F75-K77 PolarHBondContact O-N 3Å; K77-E80 WeakPolarHBondContact O-CB 3.18Å; K77-E80 PolarHBondContact O-N 3.03Å; K77-E81 PolarHBondContact O-N 3.19Å
78A95.6Very high92.8Very high0 Ų058.9 Ų58.90%027%0.265CS..Hα-helixtrans-64.3-41.8175.800000112W35 V58 V62 E74 F75 K76 E81 L82W35-A78 HydrophobicContact CH2-CB 3.59Å; W35-A78 HydrophobicContact CZ2-CB 3.74Å; W35-A78 HydrophobicContact CZ3-CB 4.29Å; V58-A78 HydrophobicContact CG1-CB 3.7Å; V62-A78 HydrophobicContact CG1-CB 4.11Å; V62-A78 HydrophobicContact CG2-CB 3.86Å; E74-A78 WeakPolarHBondContact O-CB 3.21Å; E74-A78 PolarHBondContact O-N 3.36Å; F75-A78 WeakPolarHBondContact O-CB 3.5Å; F75-A78 PolarHBondContact O-N 3.04Å; K76-A78 VanDerWaalsContact C-N 3.3Å; K76-A78 PolarHBondContact O-N 3.33Å; A78-E81 PolarHBondContact O-N 3.32Å; A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 3.21Å
79L94Very high92.2Very high0 Ų052.6 Ų52.60%027%0.269CS..Hα-helixtrans-63.9-40.4174.8-72.4178.4000112.1L10 W35 F75 K76 E81 L82 A83 F96 I99 V103L10-L79 HydrophobicContact CD1-CD1 3.84Å; L10-L79 HydrophobicContact CD2-CD1 4.15Å; W35-L79 HydrophobicContact CH2-CD2 3.98Å; W35-L79 HydrophobicContact CH2-CG 4.36Å; W35-L79 HydrophobicContact CZ3-CD2 4.05Å; W35-L79 HydrophobicContact CZ3-CG 4.37Å; F75-L79 HydrophobicContact CD1-CD1 4.16Å; F75-L79 HydrophobicContact CE1-CD1 3.48Å; F75-L79 VanDerWaalsContact CE1-CD1 3.48Å; F75-L79 HydrophobicContact CE1-CG 4.32Å; F75-L79 HydrophobicContact CE2-CD1 4.22Å; F75-L79 HydrophobicContact CE2-CG 4.33Å; F75-L79 HydrophobicContact CZ-CD1 3.53Å; F75-L79 HydrophobicContact CZ-CD2 4.49Å; F75-L79 HydrophobicContact CZ-CG 4.12Å; F75-L79 PolarHBondContact O-N 3.11Å; K76-L79 PolarHBondContact O-N 3.23Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.31Å; L79-L82 PolarHBondContact O-N 3.38Å; L79-A83 WeakPolarHBondContact O-CB 3.4Å; L79-A83 PolarHBondContact O-N 2.76Å; L79-F96 HydrophobicContact CB-CE2 4.07Å; L79-I99 HydrophobicContact CB-CG2 4.1Å; L79-I99 HydrophobicContact CD2-CD1 4.33Å; L79-I99 HydrophobicContact CD2-CG1 4.28Å; L79-V103 HydrophobicContact CD2-CG2 4.35Å
80E93Very high91.8Very high66 Ų6655.9 Ų55.931%0.30828%0.279SS..Hα-helixtrans-60.2-43.6174.7-169.6-170.4146.400111.7K76 K77 A83 T84 K92 F96K76-E80 PolarHBondContact O-N 3.47Å; K77-E80 WeakPolarHBondContact O-CB 3.18Å; K77-E80 PolarHBondContact O-N 3.03Å; E80-A83 WeakPolarHBondContact O-CB 3.35Å; E80-A83 PolarHBondContact O-N 3.01Å; E80-T84 WeakPolarHBondContact O-CG2 3.31Å; E80-T84 PolarHBondContact O-N 2.7Å; E80-T84 VanDerWaalsContact O-N 3.12Å; E80-K92 WeakPolarHBondContact OE1-CE 3.34Å; E80-K92 IonicContact OE1-NZ 2.68Å; E80-K92 PolarHBondContact OE1-NZ 2.96Å; E80-F96 HydrophobicContact CB-CD2 4.07Å; E80-F96 HydrophobicContact CB-CE2 4.34Å
81E93.9Very high91.5Very high40 Ų4058.4 Ų58.419%0.18730%0.297CS..Hα-helixtrans-65.4-40.9176.7-169.1166.4-175.500112.1V58 K61 K77 A78 L79 T84 K85V58-E81 HydrophobicContact CG1-CB 4.13Å; V58-E81 HydrophobicContact CG1-CG 4.44Å; V58-E81 HydrophobicContact CG2-CB 4.42Å; V58-E81 HydrophobicContact CG2-CG 3.95Å; K61-E81 WeakPolarHBondContact CD-OE1 3.49Å; K61-E81 WeakPolarHBondContact CD-OE2 3.25Å; K61-E81 VanDerWaalsContact NZ-CD 3.31Å; K61-E81 IonicContact NZ-OE1 3.08Å; K61-E81 PolarHBondContact NZ-OE1 3.1Å; K61-E81 IonicContact NZ-OE2 2.65Å; K61-E81 PolarHBondContact NZ-OE2 3Å; K77-E81 PolarHBondContact O-N 3.19Å; A78-E81 PolarHBondContact O-N 3.32Å; L79-E81 VanDerWaalsContact C-N 3.34Å; L79-E81 PolarHBondContact O-N 3.31Å; E81-T84 PolarHBondContact O-OG1 3.19Å; E81-K85 PolarHBondContact O-N 3.42Å
82L93.4Very high90.9Very high0 Ų062.1 Ų62.10%031%0.31CS..Hα-helixtrans-69.5-33.4174.3-69.4-173.9000113W35 V44 V50 V55 V58 A78 L79 K85 R86 I99W35-L82 HydrophobicContact CH2-CD1 3.76Å; W35-L82 HydrophobicContact CZ2-CD1 3.48Å; W35-L82 VanDerWaalsContact CZ2-CD1 3.48Å; W35-L82 HydrophobicContact CZ2-CG 4.34Å; V44-L82 HydrophobicContact CG1-CB 4.39Å; V44-L82 HydrophobicContact CG1-CD1 3.76Å; V50-L82 HydrophobicContact CG1-CD1 4.5Å; V50-L82 HydrophobicContact CG1-CD2 3.7Å; V50-L82 HydrophobicContact CG2-CD2 4.28Å; V55-L82 HydrophobicContact CG2-CD1 4.4Å; V58-L82 HydrophobicContact CB-CD2 4.33Å; V58-L82 HydrophobicContact CG1-CG 4.4Å; V58-L82 HydrophobicContact CG2-CD2 3.81Å; V58-L82 HydrophobicContact CG2-CG 4.41Å; A78-L82 WeakPolarHBondContact O-CG 3.47Å; A78-L82 PolarHBondContact O-N 3.21Å; L79-L82 PolarHBondContact O-N 3.38Å; L82-K85 PolarHBondContact O-N 3.42Å; L82-R86 WeakPolarHBondContact O-CB 3.3Å; L82-R86 PolarHBondContact O-N 2.9Å; L82-I99 HydrophobicContact CB-CD1 3.68Å
83A92.3Very high90.5Very high1 Ų167.6 Ų67.61%0.00834%0.337CS..Hα-helixtrans-62.5-47.6178.100000110.9L79 E80 K85 R86 F87 A95 I99L79-A83 WeakPolarHBondContact O-CB 3.4Å; L79-A83 PolarHBondContact O-N 2.76Å; E80-A83 WeakPolarHBondContact O-CB 3.35Å; E80-A83 PolarHBondContact O-N 3.01Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.39Å; A83-R86 PolarHBondContact O-N 2.92Å; A83-F87 PolarHBondContact O-N 2.78Å; A83-A95 HydrophobicContact CB-CB 4.08Å; A83-A95 WeakPolarHBondContact CB-O 3.48Å; A83-I99 HydrophobicContact CB-CB 4.19Å; A83-I99 HydrophobicContact CB-CD1 4.28Å; A83-I99 HydrophobicContact CB-CG2 3.84Å
84T90.6Very high90.3Very high75 Ų7566.9 Ų66.946%0.4633%0.334SS..Hα-helixtrans-64.2-33.4177.460.70000112.8E80 E81E80-T84 WeakPolarHBondContact O-CG2 3.31Å; E80-T84 PolarHBondContact O-N 2.7Å; E80-T84 VanDerWaalsContact O-N 3.12Å; E81-T84 PolarHBondContact O-OG1 3.19Å
85K90.6Very high90Very high60 Ų6065.1 Ų65.126%0.26133%0.326SS..Hα-helixtrans-69.6-42.1174.3-78.4-170.8169.7-175.60112.7V50 D54 E81 L82 A83 K88V50-K85 HydrophobicContact CG2-CB 4.12Å; D54-K85 IonicContact OD1-NZ 2.6Å; D54-K85 PolarHBondContact OD1-NZ 2.94Å; E81-K85 PolarHBondContact O-N 3.42Å; L82-K85 PolarHBondContact O-N 3.42Å; A83-K85 VanDerWaalsContact C-N 3.29Å; A83-K85 PolarHBondContact O-N 3.39Å; K85-K88 VanDerWaalsContact O-CE 3.32Å; K85-K88 WeakPolarHBondContact O-CE 3.4Å
86R87.9Confident89.7Confident54 Ų5467.3 Ų67.320%0.20434%0.336CS..Hα-helixtrans-82-44.8-173.8-171.5-179.8177.2118.4-8.7113.3K43 V44 V50 L82 A83K43-R86 PolarHBondContact O-NH1 2.75Å; K43-R86 PolarHBondContact O-NH2 3.22Å; V44-R86 VanDerWaalsContact CA-NH1 3.35Å; V44-R86 PolarHBondContact O-NH1 3.39Å; V50-R86 HydrophobicContact CG2-CB 3.92Å; L82-R86 WeakPolarHBondContact O-CB 3.3Å; L82-R86 PolarHBondContact O-N 2.9Å; A83-R86 PolarHBondContact O-N 2.92Å
87F88.6Confident89.5Confident43 Ų4368.1 Ų68.119%0.18934%0.344CS..SBendtrans-105.457.9-174.1-59.7-71.4000111.1A83 G89 K90 A95 A98 I99 L102A83-F87 PolarHBondContact O-N 2.78Å; F87-G89 PolarHBondContact O-N 3.28Å; F87-K90 HydrophobicContact CB-CD 4.25Å; F87-K90 HydrophobicContact CB-CG 4.49Å; F87-K90 PolarHBondContact O-N 2.88Å; F87-A95 HydrophobicContact CB-CB 3.92Å; F87-A95 HydrophobicContact CD2-CB 4.49Å; F87-A98 HydrophobicContact CD2-CB 4.22Å; F87-A98 HydrophobicContact CE1-CB 4.25Å; F87-A98 HydrophobicContact CE2-CB 3.82Å; F87-A98 HydrophobicContact CZ-CB 3.82Å; F87-I99 HydrophobicContact CE2-CB 4.13Å; F87-L102 HydrophobicContact CZ-CD1 4.16Å
88K83.1Confident89.3Confident170 Ų17063.1 Ų63.174%0.73933%0.326SS*.THydrogen-bonded Turntrans-59.9131.3177.2-62.1-177.8-176.91790110.1K85K85-K88 VanDerWaalsContact O-CE 3.32Å; K85-K88 WeakPolarHBondContact O-CE 3.4Å
89G81.9Confident89.1Confident88 Ų8863.1 Ų63.191%0.90733%0.326SS*.THydrogen-bonded Turntrans91.9-0.6177.700000115.7F87F87-G89 PolarHBondContact O-N 3.28Å
90K85.7Confident89Confident112 Ų11263.3 Ų63.349%0.48733%0.328SS..SBendtrans-93161.3167.5-65.5-166.6178.8-173.80111.3F87 E94 A95F87-K90 HydrophobicContact CB-CD 4.25Å; F87-K90 HydrophobicContact CB-CG 4.49Å; F87-K90 PolarHBondContact O-N 2.88Å; K90-E94 HydrophobicContact CB-CB 4.43Å; K90-A95 HydrophobicContact CB-CB 4.4Å
91S89.2Confident88.8Confident54 Ų5466.1 Ų66.138%0.37834%0.341SS..  trans-61.8154.3168.969.10000110.5E93 E94 A95S91-E93 PolarHBondContact O-N 3.49Å; S91-E94 WeakPolarHBondContact CB-OE2 3.41Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 VanDerWaalsContact OG-CB 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.33Å; S91-E94 WeakPolarHBondContact OG-CG 3.32Å; S91-E94 PolarHBondContact OG-N 2.83Å; S91-E94 PolarHBondContact OG-OE2 3.36Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.93Å
92K83.3Confident88.6Confident131 Ų13166.7 Ų66.757%0.5735%0.345SS*.Hα-helixtrans-57.7-38.3-178.6-179.7174173165.40112.2E80 F96E80-K92 WeakPolarHBondContact OE1-CE 3.34Å; E80-K92 IonicContact OE1-NZ 2.68Å; E80-K92 PolarHBondContact OE1-NZ 2.96Å; K92-F96 WeakPolarHBondContact O-CB 3.47Å; K92-F96 PolarHBondContact O-N 2.92Å; K92-F96 VanDerWaalsContact O-N 3.15Å
93E86.1Confident88.6Confident154 Ų15466.7 Ų66.772%0.7235%0.345SS*.Hα-helixtrans-70.8-49.4179.3-67.1169.6-174.800111.1S91 A95 F96 D97S91-E93 PolarHBondContact O-N 3.49Å; E93-A95 VanDerWaalsContact C-N 3.31Å; E93-A95 PolarHBondContact O-N 2.96Å; E93-F96 PolarHBondContact O-N 3.27Å; E93-F96 VanDerWaalsContact O-N 3.15Å; E93-D97 PolarHBondContact O-N 2.65Å
94E87.9Confident88.5Confident113 Ų11368 Ų6853%0.52836%0.355SS..Hα-helixtrans-64-35.4178.1-72.2172.795.100113K90 S91 F96 A98K90-E94 HydrophobicContact CB-CB 4.43Å; S91-E94 WeakPolarHBondContact CB-OE2 3.41Å; S91-E94 PolarHBondContact O-N 2.85Å; S91-E94 VanDerWaalsContact OG-CB 3.32Å; S91-E94 WeakPolarHBondContact OG-CB 3.33Å; S91-E94 WeakPolarHBondContact OG-CG 3.32Å; S91-E94 PolarHBondContact OG-N 2.83Å; S91-E94 PolarHBondContact OG-OE2 3.36Å; E94-F96 VanDerWaalsContact C-N 3.35Å; E94-A98 WeakPolarHBondContact O-CB 3.22Å; E94-A98 PolarHBondContact O-N 3.4Å
95A89.8Confident88.3Confident3 Ų366.9 Ų66.93%0.02536%0.359CS..Hα-helixtrans-65.8-41.3175.700000111.1A83 F87 K90 S91 E93 I99A83-A95 HydrophobicContact CB-CB 4.08Å; A83-A95 WeakPolarHBondContact CB-O 3.48Å; F87-A95 HydrophobicContact CB-CB 3.92Å; F87-A95 HydrophobicContact CD2-CB 4.49Å; K90-A95 HydrophobicContact CB-CB 4.4Å; S91-A95 WeakPolarHBondContact O-CB 3.43Å; S91-A95 PolarHBondContact O-N 2.93Å; E93-A95 VanDerWaalsContact C-N 3.31Å; E93-A95 PolarHBondContact O-N 2.96Å; A95-I99 PolarHBondContact O-N 3.21Å; A95-I99 VanDerWaalsContact O-N 3.12Å
96F89.9Confident88.2Confident47 Ų4767.9 Ų67.921%0.20636%0.363CS..Hα-helixtrans-67.6-45.5177.7-175.5-102.6000111.6K76 L79 E80 K92 E93 E94 A98 I99 C100K76-F96 HydrophobicContact CB-CZ 4.47Å; L79-F96 HydrophobicContact CB-CE2 4.07Å; E80-F96 HydrophobicContact CB-CD2 4.07Å; E80-F96 HydrophobicContact CB-CE2 4.34Å; K92-F96 WeakPolarHBondContact O-CB 3.47Å; K92-F96 PolarHBondContact O-N 2.92Å; K92-F96 VanDerWaalsContact O-N 3.15Å; E93-F96 PolarHBondContact O-N 3.27Å; E93-F96 VanDerWaalsContact O-N 3.15Å; E94-F96 VanDerWaalsContact C-N 3.35Å; F96-A98 VanDerWaalsContact C-N 3.32Å; F96-A98 PolarHBondContact O-N 2.68Å; F96-I99 HydrophobicContact CD2-CG2 4.46Å; F96-I99 WeakPolarHBondContact O-CG2 3.28Å; F96-I99 PolarHBondContact O-N 3.4Å; F96-C100 WeakPolarHBondContact CE1-SG 3.47Å; F96-C100 WeakPolarHBondContact CZ-SG 3.44Å; F96-C100 WeakPolarHBondContact O-CB 3.32Å; F96-C100 PolarHBondContact O-N 3.47Å; F96-C100 PolarHBondContact O-SG 3.01Å
97D88.9Confident88.3Confident92 Ų9270.9 Ų70.949%0.49238%0.38SS..Hα-helixtrans-62.3-42176.8-74.7-10.8000111.1E93 I99 C100 Q101E93-D97 PolarHBondContact O-N 2.65Å; D97-I99 VanDerWaalsContact C-N 3.35Å; D97-I99 PolarHBondContact O-N 3.26Å; D97-C100 PolarHBondContact O-N 3.3Å; D97-Q101 WeakPolarHBondContact O-CG 3.5Å; D97-Q101 PolarHBondContact O-N 3.43Å
98A90.2Very high88.3Confident22 Ų2270.1 Ų70.118%0.18238%0.379CS..Hα-helixtrans-61.6-39.1177.200000113F87 E94 F96 L102F87-A98 HydrophobicContact CD2-CB 4.22Å; F87-A98 HydrophobicContact CE1-CB 4.25Å; F87-A98 HydrophobicContact CE2-CB 3.82Å; F87-A98 HydrophobicContact CZ-CB 3.82Å; E94-A98 WeakPolarHBondContact O-CB 3.22Å; E94-A98 PolarHBondContact O-N 3.4Å; F96-A98 VanDerWaalsContact C-N 3.32Å; F96-A98 PolarHBondContact O-N 2.68Å; A98-L102 WeakPolarHBondContact O-CG 3.1Å; A98-L102 PolarHBondContact O-N 3.15Å
99I91.2Very high88.3Confident0 Ų064.1 Ų64.10%036%0.361CS..Hα-helixtrans-73.1-37176.3-157.2161.3000111.3V44 L79 L82 A83 F87 A95 F96 D97 L102 V103V44-I99 HydrophobicContact CG1-CD1 3.53Å; V44-I99 HydrophobicContact CG1-CG1 3.99Å; V44-I99 HydrophobicContact CG2-CD1 4.46Å; V44-I99 HydrophobicContact CG2-CG1 3.98Å; L79-I99 HydrophobicContact CB-CG2 4.1Å; L79-I99 HydrophobicContact CD2-CD1 4.33Å; L79-I99 HydrophobicContact CD2-CG1 4.28Å; L82-I99 HydrophobicContact CB-CD1 3.68Å; A83-I99 HydrophobicContact CB-CB 4.19Å; A83-I99 HydrophobicContact CB-CD1 4.28Å; A83-I99 HydrophobicContact CB-CG2 3.84Å; F87-I99 HydrophobicContact CE2-CB 4.13Å; A95-I99 PolarHBondContact O-N 3.21Å; A95-I99 VanDerWaalsContact O-N 3.12Å; F96-I99 HydrophobicContact CD2-CG2 4.46Å; F96-I99 WeakPolarHBondContact O-CG2 3.28Å; F96-I99 PolarHBondContact O-N 3.4Å; D97-I99 VanDerWaalsContact C-N 3.35Å; D97-I99 PolarHBondContact O-N 3.26Å; I99-L102 WeakPolarHBondContact O-CB 3.05Å; I99-L102 PolarHBondContact O-N 3.46Å; I99-V103 PolarHBondContact O-N 3.39Å
100C90.4Very high87.9Confident5 Ų565 Ų653%0.03435%0.345CS..Hα-helixtrans-64.6-41.5178-71.60000111.1L10 F96 D97 L102 V103 A104L10-C100 HydrophobicContact CD1-CB 4.44Å; L10-C100 HydrophobicContact CD2-CB 4.34Å; F96-C100 WeakPolarHBondContact CE1-SG 3.47Å; F96-C100 WeakPolarHBondContact CZ-SG 3.44Å; F96-C100 WeakPolarHBondContact O-CB 3.32Å; F96-C100 PolarHBondContact O-N 3.47Å; F96-C100 PolarHBondContact O-SG 3.01Å; D97-C100 PolarHBondContact O-N 3.3Å; C100-L102 PolarHBondContact O-N 3.27Å; C100-V103 CarbonylContact O-C 3.56Å; C100-V103 PolarHBondContact O-N 3.28Å; C100-A104 WeakPolarHBondContact O-CB 3.37Å; C100-A104 PolarHBondContact O-N 3.06Å
101Q90.1Very high86.9Confident124 Ų12465.8 Ų65.858%0.57936%0.359SS*.Hα-helixtrans-64-27.8174.7-73.7-159.7-26.400113.6D6 D97 V103D6-Q101 PolarHBondContact OD1-NE2 3.49Å; D6-Q101 VanDerWaalsContact OD1-NE2 3.1Å; D97-Q101 WeakPolarHBondContact O-CG 3.5Å; D97-Q101 PolarHBondContact O-N 3.43Å; Q101-V103 VanDerWaalsContact C-N 3.27Å; Q101-V103 PolarHBondContact O-N 3.26Å
102L90.1Very high85.5Confident53 Ų5367.2 Ų67.228%0.27738%0.382SS..Hα-helixtrans-69.9-26.8172.1-70.1174.4000112.4C42 V44 F87 A98 I99 C100 K106C42-L102 WeakPolarHBondContact CB-O 3.25Å; V44-L102 HydrophobicContact CG2-CB 4.46Å; F87-L102 HydrophobicContact CZ-CD1 4.16Å; A98-L102 WeakPolarHBondContact O-CG 3.1Å; A98-L102 PolarHBondContact O-N 3.15Å; I99-L102 WeakPolarHBondContact O-CB 3.05Å; I99-L102 PolarHBondContact O-N 3.46Å; C100-L102 PolarHBondContact O-N 3.27Å; L102-K106 WeakPolarHBondContact O-CD 3.35Å; L102-K106 WeakPolarHBondContact O-CE 3.2Å
103V92.1Very high84.3Confident0 Ų065.3 Ų65.30%038%0.381CS..Hα-helixtrans-97.7-36.8-176179.90000111.8L10 S13 L38 C42 V44 F75 L79 I99 C100 Q101 G105 K106L10-V103 HydrophobicContact CD1-CB 3.75Å; L10-V103 HydrophobicContact CD1-CG1 3.67Å; S13-V103 WeakPolarHBondContact CB-O 3.47Å; S13-V103 PolarHBondContact OG-O 3.32Å; L38-V103 HydrophobicContact CD1-CG1 4.1Å; L38-V103 HydrophobicContact CD2-CG1 3.93Å; L38-V103 HydrophobicContact CD2-CG2 3.9Å; L38-V103 HydrophobicContact CG-CG1 4.19Å; C42-V103 HydrophobicContact CB-CG2 3.9Å; V44-V103 HydrophobicContact CG2-CG2 3.74Å; F75-V103 HydrophobicContact CZ-CG1 4.48Å; L79-V103 HydrophobicContact CD2-CG2 4.35Å; I99-V103 PolarHBondContact O-N 3.39Å; C100-V103 CarbonylContact O-C 3.56Å; C100-V103 PolarHBondContact O-N 3.28Å; Q101-V103 VanDerWaalsContact C-N 3.27Å; Q101-V103 PolarHBondContact O-N 3.26Å; V103-G105 PolarHBondContact O-N 3.48Å; V103-K106 WeakPolarHBondContact O-CB 3.41Å; V103-K106 PolarHBondContact O-N 3.19Å; V103-K106 VanDerWaalsContact O-N 3.11Å
104A91.1Very high82.8Confident27 Ų2764.2 Ų64.222%0.22339%0.385CS..THydrogen-bonded Turntrans-57.8134.4-174.500000111.9C100 K106C100-A104 WeakPolarHBondContact O-CB 3.37Å; C100-A104 PolarHBondContact O-N 3.06Å; A104-K106 PolarHBondContact O-N 3.02Å
105G85.6Confident81.4Confident52 Ų5268.3 Ų68.354%0.53640%0.402SS..THydrogen-bonded Turntrans72.45.3-177.800000115.5G9 S13 V103G9-G105 PolarHBondContact O-N 3.37Å; S13-G105 PolarHBondContact OG-N 2.92Å; V103-G105 PolarHBondContact O-N 3.48Å
106K89Confident80Confident81 Ų8172.7 Ų72.735%0.35244%0.438SS..  trans-92.1151.5178.1-67.3-169.8-179.8-103.70112.5S13 C42 L102 V103 A104S13-K106 WeakPolarHBondContact CB-O 3.49Å; S13-K106 PolarHBondContact OG-N 3.37Å; S13-K106 PolarHBondContact OG-O 3.1Å; C42-K106 HydrophobicContact CB-CD 3.88Å; C42-K106 VanDerWaalsContact SG-CD 3.59Å; L102-K106 WeakPolarHBondContact O-CD 3.35Å; L102-K106 WeakPolarHBondContact O-CE 3.2Å; V103-K106 WeakPolarHBondContact O-CB 3.41Å; V103-K106 PolarHBondContact O-N 3.19Å; V103-K106 VanDerWaalsContact O-N 3.11Å; A104-K106 PolarHBondContact O-N 3.02Å
107E90.1Very high78.3Confident117 Ų11779.1 Ų79.155%0.54747%0.466SS..  trans-125.9152-179-45.4-167.1118.600109.8K16 A109K16-E107 HydrophobicContact CD-CB 4.19Å; K16-E107 HydrophobicContact CD-CG 3.6Å; K16-E107 VanDerWaalsContact CD-OE1 3.25Å; K16-E107 WeakPolarHBondContact CD-OE1 3.39Å; K16-E107 WeakPolarHBondContact CE-OE1 3.48Å; K16-E107 IonicContact NZ-OE1 2.73Å; K16-E107 PolarHBondContact NZ-OE1 3.14Å; E107-A109 PolarHBondContact O-N 3.29Å
108P89.4Confident76.8Confident27 Ų2781.3 Ų81.318%0.17548%0.483CS..  trans-62.1111.4176.124.6-33.7000110.6F17 H20 K37 D41F17-P108 HydrophobicContact CD1-CB 3.78Å; F17-P108 HydrophobicContact CD1-CG 4.41Å; F17-P108 VanDerWaalsContact CE1-CA 3.49Å; F17-P108 HydrophobicContact CE1-CB 3.63Å; F17-P108 HydrophobicContact CG-CB 4.39Å; F17-P108 HydrophobicContact CZ-CB 4.12Å; H20-P108 HydrophobicContact CB-CB 4.17Å; H20-P108 HydrophobicContact CB-CG 3.97Å; H20-P108 WeakPolarHBondContact ND1-CB 3.43Å; H20-P108 WeakPolarHBondContact ND1-CG 3.47Å; K37-P108 HydrophobicContact CD-CB 4.11Å; D41-P108 WeakPolarHBondContact OD2-CA 3.47Å
109A82.6Confident75.7Confident45 Ų4581.3 Ų81.337%0.37249%0.485SS..  trans-90.5129.5-17900000111.4K37 D41 E107 V111K37-A109 PolarHBondContact NZ-O 3.12Å; D41-A109 PolarHBondContact OD2-N 2.75Å; E107-A109 PolarHBondContact O-N 3.29Å; A109-V111 HydrophobicContact CB-CG2 3.88Å; A109-V111 PolarHBondContact O-N 3.04Å
110N72.9Confident74.7Confident105 Ų10584.3 Ų84.356%0.56152%0.516SS*.  trans-8663.5174.4-71.25.1000110.3H20 G112 V113H20-N110 PolarHBondContact CE1-OD1 2.94Å; N110-G112 PolarHBondContact O-N 3.43Å; N110-V113 HydrophobicContact CB-CB 4.12Å; N110-V113 HydrophobicContact CB-CG2 3.79Å
111V65Low73.9Confident129 Ų12987.5 Ų87.578%0.78254%0.543SS*.THydrogen-bonded Turntrans-71123.6179-173.40000109.3A109A109-V111 HydrophobicContact CB-CG2 3.88Å; A109-V111 PolarHBondContact O-N 3.04Å
112G59.4Low73.2Confident84 Ų8485.2 Ų85.287%0.86654%0.537SS*.THydrogen-bonded Turntrans81.85.9177.400000115.7N110N110-G112 PolarHBondContact O-N 3.43Å
113V58.2Low72.7Confident91 Ų9188.4 Ų88.455%0.55255%0.554SS**  trans-80.4131.8173.8-175.60000109.5N110 K115N110-V113 HydrophobicContact CB-CB 4.12Å; N110-V113 HydrophobicContact CB-CG2 3.79Å; V113-K115 PolarHBondContact O-N 2.95Å
114T55.6Low72.1Confident131 Ų13196.5 Ų96.580%0.80459%0.585SS**  trans-57.9110.2169.442.60000109A116T114-A116 PolarHBondContact O-N 3.42Å
115K58.9Low71.5Confident200 Ų200101.7 Ų101.787%0.8761%0.608SS**  trans-55.8124.5171.3-69.8-171.3178.3-174.90107.9V113 K117V113-K115 PolarHBondContact O-N 2.95Å; K115-K117 PolarHBondContact O-N 2.89Å
116A59.6Low71.4Confident95 Ų95103.3 Ų103.379%0.78561%0.608SS**  trans-58.2113173.300000108T114 T118T114-A116 PolarHBondContact O-N 3.42Å; A116-T118 PolarHBondContact O-N 3.29Å
117K53.1Low71.2Confident181 Ų181101.9 Ų101.979%0.78760%0.603SS**  trans-85.794.4176.5-169.6175.9-175.4179.60107.6K115 G119K115-K117 PolarHBondContact O-N 2.89Å; K117-G119 PolarHBondContact O-N 2.95Å
118T58.4Low71.1Confident139 Ų13997.7 Ų97.785%0.85359%0.586SS**  trans-73.968162.444.10000108.6A116A116-T118 PolarHBondContact O-N 3.29Å
119G66.3Low71Confident22 Ų22100.8 Ų100.823%0.22761%0.608CS.*  trans-76.5144.3170.800000109.5K117 A121 V122 D123K117-G119 PolarHBondContact O-N 2.95Å; G119-A121 PolarHBondContact O-N 3.34Å; G119-V122 WeakPolarHBondContact O-CB 3.34Å; G119-V122 PolarHBondContact O-N 3.37Å; G119-D123 PolarHBondContact O-N 2.8Å
120G70.7Confident71.1Confident63 Ų63106.3 Ų106.365%0.64962%0.62SS**Hα-helixtrans-56-19.717700000114.4R124G120-R124 WeakPolarHBondContact O-CB 3.49Å; G120-R124 PolarHBondContact O-N 3.11Å
121A73Confident71.9Confident72 Ų72104.7 Ų104.760%0.59561%0.606SS**Hα-helixtrans-67.8-36.5170.400000113.5G119 L125G119-A121 PolarHBondContact O-N 3.34Å; A121-L125 WeakPolarHBondContact O-CB 3.49Å; A121-L125 PolarHBondContact O-N 3.47Å; A121-L125 VanDerWaalsContact O-N 3.11Å
122V75.6Confident73Confident76 Ų76104 Ų10446%0.46160%0.602SS.*Hα-helixtrans-70.2-45.9176-178.90000109.2G119 R124 L125 T126G119-V122 WeakPolarHBondContact O-CB 3.34Å; G119-V122 PolarHBondContact O-N 3.37Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 2.94Å; V122-L125 CarbonylContact O-C 3.5Å; V122-L125 WeakPolarHBondContact O-CA 3.43Å; V122-L125 PolarHBondContact O-N 3.37Å; V122-T126 HydrophobicContact CG1-CG2 4.22Å; V122-T126 PolarHBondContact O-N 3.42Å; V122-T126 PolarHBondContact O-OG1 3.32Å
123D79.4Confident74.3Confident119 Ų119102.7 Ų102.764%0.63659%0.589SS**Hα-helixtrans-54.4-48.8176.9-157.2-96.3000111.4G119 L125 T126 D127G119-D123 PolarHBondContact O-N 2.8Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 3.23Å; D123-T126 PolarHBondContact O-N 2.73Å; D123-T126 PolarHBondContact O-OG1 3.48Å; D123-D127 WeakPolarHBondContact O-CB 3.17Å; D123-D127 PolarHBondContact O-N 2.97Å
124R80.4Confident75.5Confident171 Ų171102.7 Ų102.765%0.64559%0.593SS**Hα-helixtrans-60.6-36.6173.8-170.9-178.773.8165.43.1113.6G120 V122G120-R124 WeakPolarHBondContact O-CB 3.49Å; G120-R124 PolarHBondContact O-N 3.11Å; V122-R124 VanDerWaalsContact C-N 3.33Å; V122-R124 PolarHBondContact O-N 2.94Å
125L79.4Confident76.9Confident136 Ų136101 Ų10171%0.71258%0.576SS**Hα-helixtrans-80-22.1-176.6-162.970.1000112.3A121 V122 D123A121-L125 WeakPolarHBondContact O-CB 3.49Å; A121-L125 PolarHBondContact O-N 3.47Å; A121-L125 VanDerWaalsContact O-N 3.11Å; V122-L125 CarbonylContact O-C 3.5Å; V122-L125 WeakPolarHBondContact O-CA 3.43Å; V122-L125 PolarHBondContact O-N 3.37Å; D123-L125 VanDerWaalsContact C-N 3.32Å; D123-L125 PolarHBondContact O-N 3.23Å
126T82.1Confident78.3Confident86 Ų8697.4 Ų97.453%0.52856%0.56SS.*Hα-helixtrans-105.3-1.4-179.157.20000114.1V122 D123 T128V122-T126 HydrophobicContact CG1-CG2 4.22Å; V122-T126 PolarHBondContact O-N 3.42Å; V122-T126 PolarHBondContact O-OG1 3.32Å; D123-T126 PolarHBondContact O-N 2.73Å; D123-T126 PolarHBondContact O-OG1 3.48Å; T126-T128 PolarHBondContact O-N 3.14Å; T126-T128 VanDerWaalsContact O-N 3.09Å
127D86.1Confident79.6Confident50 Ų5098.1 Ų98.127%0.26755%0.547SS..  trans-72.199.2177.3-178.41.3000111.3D123 S129 R130D123-D127 WeakPolarHBondContact O-CB 3.17Å; D123-D127 PolarHBondContact O-N 2.97Å; D127-S129 VanDerWaalsContact CG-OG 3.25Å; D127-S129 PolarHBondContact O-N 3.07Å; D127-S129 WeakPolarHBondContact OD1-CB 3.46Å; D127-S129 PolarHBondContact OD1-N 3.01Å; D127-S129 PolarHBondContact OD1-OG 3.19Å; D127-S129 PolarHBondContact OD2-OG 3.48Å; D127-R130 HydrophobicContact CB-CG 4.47Å; D127-R130 PolarHBondContact O-N 3.02Å; D127-R130 WeakPolarHBondContact OD2-CD 3.4Å; D127-R130 VanDerWaalsContact OD2-CG 3.29Å; D127-R130 WeakPolarHBondContact OD2-CG 3.44Å
128T87.7Confident81.4Confident30 Ų3093.1 Ų93.118%0.18452%0.524CS..G310 helixtrans-68.5-19.2179.658.60000113.1T126 R130 Y131 F139 G143T126-T128 PolarHBondContact O-N 3.14Å; T126-T128 VanDerWaalsContact O-N 3.09Å; T128-R130 PolarHBondContact O-N 3.44Å; T128-Y131 HydrophobicContact CG2-CD2 4.2Å; T128-Y131 HydrophobicContact CG2-CE2 3.66Å; T128-Y131 WeakPolarHBondContact O-CB 3.34Å; T128-Y131 PolarHBondContact O-N 3.3Å; T128-F139 HydrophobicContact CG2-CD1 3.9Å; T128-F139 HydrophobicContact CG2-CD2 4.42Å; T128-F139 HydrophobicContact CG2-CE1 4.17Å; T128-F139 HydrophobicContact CG2-CG 4.03Å; T128-G143 WeakPolarHBondContact OG1-CA 3.29Å
129S85.8Confident82.9Confident91 Ų9189 Ų8964%0.63649%0.494SS*.G310 helixtrans-66.8-24.4178.577.90000112.2D127D127-S129 VanDerWaalsContact CG-OG 3.25Å; D127-S129 PolarHBondContact O-N 3.07Å; D127-S129 WeakPolarHBondContact OD1-CB 3.46Å; D127-S129 PolarHBondContact OD1-N 3.01Å; D127-S129 PolarHBondContact OD1-OG 3.19Å; D127-S129 PolarHBondContact OD2-OG 3.48Å
130R86.4Confident83.9Confident162 Ų16290.6 Ų90.661%0.61150%0.497SS*.G310 helixtrans-87.5-3.8178.6-63.1-175.469.11636113.6D127 T128D127-R130 HydrophobicContact CB-CG 4.47Å; D127-R130 PolarHBondContact O-N 3.02Å; D127-R130 WeakPolarHBondContact OD2-CD 3.4Å; D127-R130 VanDerWaalsContact OD2-CG 3.29Å; D127-R130 WeakPolarHBondContact OD2-CG 3.44Å; T128-R130 PolarHBondContact O-N 3.44Å
131Y88.4Confident84.5Confident70 Ų7097.7 Ų97.728%0.27551%0.514SS..  trans-70.3138.7175.3-63.6-13.4000110.4T128 K136 F139T128-Y131 HydrophobicContact CG2-CD2 4.2Å; T128-Y131 HydrophobicContact CG2-CE2 3.66Å; T128-Y131 WeakPolarHBondContact O-CB 3.34Å; T128-Y131 PolarHBondContact O-N 3.3Å; Y131-K136 WeakPolarHBondContact O-CB 3.37Å; Y131-F139 AromaticContact CD2-CD2 3.69Å; Y131-F139 HydrophobicContact CD2-CD2 3.69Å; Y131-F139 AromaticContact CD2-CE2 3.52Å; Y131-F139 HydrophobicContact CD2-CE2 3.52Å; Y131-F139 HydrophobicContact CD2-CZ 4.37Å; Y131-F139 HydrophobicContact CE2-CD2 4Å; Y131-F139 AromaticContact CE2-CE2 3.5Å; Y131-F139 HydrophobicContact CE2-CE2 3.5Å; Y131-F139 AromaticContact CE2-CZ 3.89Å; Y131-F139 HydrophobicContact CE2-CZ 3.89Å
132T87.8Confident85.1Confident114 Ų11499 Ų9970%0.69952%0.518SS*.  trans-121.4165.3-178.1610000110.8H135T132-H135 PolarHBondContact O-N 3.49Å
133G86.9Confident85.4Confident58 Ų5896.5 Ų96.560%0.59851%0.508SS*.THydrogen-bonded Turntrans60-144.4-179.100000112.8H135 K136G133-H135 PolarHBondContact O-N 3.49Å; G133-H135 VanDerWaalsContact O-N 3.14Å; G133-K136 WeakPolarHBondContact O-CB 3.41Å; G133-K136 PolarHBondContact O-N 3.35Å
134S83.3Confident85.8Confident91 Ų9197.9 Ų97.964%0.63651%0.508SS*.Hα-helixtrans-61.3-22.9-178.658.40000113.9K136 E137 R138S134-K136 VanDerWaalsContact C-N 3.3Å; S134-K136 PolarHBondContact O-N 3.32Å; S134-E137 PolarHBondContact O-N 3.09Å; S134-R138 WeakPolarHBondContact O-CG 3.15Å
135H85.3Confident86.3Confident94 Ų9491.9 Ų91.944%0.43550%0.5SS..Hα-helixtrans-70.1-26.9175.2-83.2-102.2000112.9T132 G133 R138 F139T132-H135 PolarHBondContact O-N 3.49Å; G133-H135 PolarHBondContact O-N 3.49Å; G133-H135 VanDerWaalsContact O-N 3.14Å; H135-R138 PolarHBondContact CE1-NH1 3.28Å; H135-R138 PolarHBondContact O-N 3.41Å; H135-F139 VanDerWaalsContact O-CD2 3.3Å; H135-F139 WeakPolarHBondContact O-CD2 3.3Å
136K87.9Confident86.6Confident126 Ų12690.3 Ų90.355%0.54849%0.487SS..Hα-helixtrans-66.3-42.2175.7-169.5176.7178.1-179.50111.5Y131 G133 S134 R138 F139Y131-K136 WeakPolarHBondContact O-CB 3.37Å; G133-K136 WeakPolarHBondContact O-CB 3.41Å; G133-K136 PolarHBondContact O-N 3.35Å; S134-K136 VanDerWaalsContact C-N 3.3Å; S134-K136 PolarHBondContact O-N 3.32Å; K136-R138 PolarHBondContact O-N 3.13Å; K136-R138 VanDerWaalsContact O-N 3.13Å; K136-F139 PolarHBondContact O-N 3.13Å
137E88.4Confident86.9Confident109 Ų10988.1 Ų88.151%0.50948%0.482SS..Hα-helixtrans-65.5-18.3-178.7-60.2-49.4126.100113.3S134 F139 G150S134-E137 PolarHBondContact O-N 3.09Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 2.91Å; E137-G150 WeakPolarHBondContact O-CA 3.36Å
138R89.3Confident86.7Confident77 Ų7791 Ų9129%0.29150%0.496SS..THydrogen-bonded Turntrans-75.2-15.5-179.4-68.3174.464.7178.70.1114.1S134 H135 K136 G145 K146 G150 R151S134-R138 WeakPolarHBondContact O-CG 3.15Å; H135-R138 PolarHBondContact CE1-NH1 3.28Å; H135-R138 PolarHBondContact O-N 3.41Å; K136-R138 PolarHBondContact O-N 3.13Å; K136-R138 VanDerWaalsContact O-N 3.13Å; R138-G145 CarbonylContact O-C 3.59Å; R138-G145 VanDerWaalsContact O-CA 3.27Å; R138-G145 WeakPolarHBondContact O-CA 3.29Å; R138-K146 PolarHBondContact O-N 3.45Å; R138-G150 WeakPolarHBondContact CG-O 3.49Å; R138-R151 HydrophobicContact CG-CG 4.35Å
139F90.4Very high86.5Confident52 Ų5292.6 Ų92.623%0.22851%0.512CS..BIsolated β-bridgetrans-126.4150.8-174.4-57.2-89.6000111.5T128 Y131 H135 K136 E137 G143 K144 K146T128-F139 HydrophobicContact CG2-CD1 3.9Å; T128-F139 HydrophobicContact CG2-CD2 4.42Å; T128-F139 HydrophobicContact CG2-CE1 4.17Å; T128-F139 HydrophobicContact CG2-CG 4.03Å; Y131-F139 AromaticContact CD2-CD2 3.69Å; Y131-F139 HydrophobicContact CD2-CD2 3.69Å; Y131-F139 AromaticContact CD2-CE2 3.52Å; Y131-F139 HydrophobicContact CD2-CE2 3.52Å; Y131-F139 HydrophobicContact CD2-CZ 4.37Å; Y131-F139 HydrophobicContact CE2-CD2 4Å; Y131-F139 AromaticContact CE2-CE2 3.5Å; Y131-F139 HydrophobicContact CE2-CE2 3.5Å; Y131-F139 AromaticContact CE2-CZ 3.89Å; Y131-F139 HydrophobicContact CE2-CZ 3.89Å; H135-F139 VanDerWaalsContact O-CD2 3.3Å; H135-F139 WeakPolarHBondContact O-CD2 3.3Å; K136-F139 PolarHBondContact O-N 3.13Å; E137-F139 VanDerWaalsContact C-N 3.31Å; E137-F139 PolarHBondContact O-N 2.91Å; F139-G143 WeakPolarHBondContact CD1-O 3.47Å; F139-K144 CarbonylContact C-O 3.5Å; F139-K144 VanDerWaalsContact CA-O 3.29Å; F139-K144 WeakPolarHBondContact CA-O 3.11Å; F139-K146 WeakPolarHBondContact O-CE 3.27Å; F139-K146 PolarHBondContact O-NZ 2.95Å
140D87.4Confident86.4Confident56 Ų5688.6 Ų88.630%0.29949%0.486SS..  trans-86.7177.4170.367.225.3000111.8S142 G143 K144 K146D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 WeakPolarHBondContact OD1-CA 3.5Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.82Å; D140-S142 PolarHBondContact OD1-OG 3.43Å; D140-S142 PolarHBondContact OD2-OG 3.23Å; D140-G143 WeakPolarHBondContact O-CA 3.46Å; D140-G143 PolarHBondContact O-N 2.81Å; D140-G143 PolarHBondContact OD1-N 2.87Å; D140-G143 VanDerWaalsContact OD1-N 3.13Å; D140-K144 PolarHBondContact N-O 3.18Å; D140-K144 WeakPolarHBondContact OD1-CB 3.21Å; D140-K144 PolarHBondContact OD1-N 3.27Å; D140-K144 WeakPolarHBondContact OD2-CB 3.13Å; D140-K146 HydrophobicContact CB-CG 4.22Å
141E84.5Confident86.3Confident212 Ų21289.5 Ų89.599%0.99149%0.489SS*.THydrogen-bonded Turntrans-63.4-20.8-178.6-63.3-178.1112.200113.1G143E141-G143 VanDerWaalsContact C-N 3.29Å
142S84.1Confident86Confident98 Ų9891.7 Ų91.769%0.68550%0.502SS*.THydrogen-bonded Turntrans-85.3-1.5173.576.50000113.3D140 K144D140-S142 PolarHBondContact O-N 3.21Å; D140-S142 WeakPolarHBondContact OD1-CA 3.5Å; D140-S142 WeakPolarHBondContact OD1-CB 3.33Å; D140-S142 PolarHBondContact OD1-N 2.82Å; D140-S142 PolarHBondContact OD1-OG 3.43Å; D140-S142 PolarHBondContact OD2-OG 3.23Å; S142-K144 VanDerWaalsContact C-N 3.31Å
143G83.3Confident85.3Confident24 Ų2493 Ų9325%0.24751%0.505CS..SBendtrans78.911-176.200000114.2T128 F139 D140 E141T128-G143 WeakPolarHBondContact OG1-CA 3.29Å; F139-G143 WeakPolarHBondContact CD1-O 3.47Å; D140-G143 WeakPolarHBondContact O-CA 3.46Å; D140-G143 PolarHBondContact O-N 2.81Å; D140-G143 PolarHBondContact OD1-N 2.87Å; D140-G143 VanDerWaalsContact OD1-N 3.13Å; E141-G143 VanDerWaalsContact C-N 3.29Å
144K87Confident84.5Confident148 Ų14896.1 Ų96.164%0.64351%0.506SS*.  trans-86.2139.7177-171.9179.9-176.5-175.70110F139 D140 S142 K146F139-K144 CarbonylContact C-O 3.5Å; F139-K144 VanDerWaalsContact CA-O 3.29Å; F139-K144 WeakPolarHBondContact CA-O 3.11Å; D140-K144 PolarHBondContact N-O 3.18Å; D140-K144 WeakPolarHBondContact OD1-CB 3.21Å; D140-K144 PolarHBondContact OD1-N 3.27Å; D140-K144 WeakPolarHBondContact OD2-CB 3.13Å; S142-K144 VanDerWaalsContact C-N 3.31Å; K144-K146 PolarHBondContact O-N 2.93Å
145G90.1Very high83.9Confident46 Ų4698.2 Ų98.247%0.47451%0.51SS..BIsolated β-bridgetrans-66.3130.2-178.900000112.4R138 G147R138-G145 CarbonylContact O-C 3.59Å; R138-G145 VanDerWaalsContact O-CA 3.27Å; R138-G145 WeakPolarHBondContact O-CA 3.29Å; G145-G147 PolarHBondContact O-N 3.24Å
146K87.3Confident83.2Confident102 Ų10299.8 Ų99.844%0.44352%0.521SS..  trans-75.12.3176.9-66.4-176.5-177.5162.20114.3R138 F139 D140 K144R138-K146 PolarHBondContact O-N 3.45Å; F139-K146 WeakPolarHBondContact O-CE 3.27Å; F139-K146 PolarHBondContact O-NZ 2.95Å; D140-K146 HydrophobicContact CB-CG 4.22Å; K144-K146 PolarHBondContact O-N 2.93Å
147G87.3Confident82.4Confident41 Ų41101.4 Ų101.442%0.42354%0.536SS..G310 helixtrans66.2-133.2179.200000112.8G145 G150 R151G145-G147 PolarHBondContact O-N 3.24Å; G147-G150 PolarHBondContact O-N 2.58Å; G147-R151 WeakPolarHBondContact O-CG 3.41Å
148I82.1Confident81.7Confident109 Ų10999.8 Ų99.856%0.55954%0.537SS*.G310 helixtrans-66.9-35.6-178.1-164.5160.8000112.4G150 R151 Q152I148-G150 PolarHBondContact O-N 3.19Å; I148-R151 PolarHBondContact O-N 3.44Å; I148-Q152 HydrophobicContact CG1-CG 4.18Å; I148-Q152 PolarHBondContact O-N 3.47Å
149A83.8Confident80.9Confident64 Ų6499.7 Ų99.753%0.52956%0.56SS.*G310 helixtrans-63.1-26.1-179.700000113.2
150G83.9Confident79.9Confident8 Ų8101.8 Ų101.88%0.08257%0.567CS.*G310 helixtrans-931.4174.800000114.5E137 R138 G147 I148E137-G150 WeakPolarHBondContact O-CA 3.36Å; R138-G150 WeakPolarHBondContact CG-O 3.49Å; G147-G150 PolarHBondContact O-N 2.58Å; I148-G150 PolarHBondContact O-N 3.19Å
151R83.4Confident79.1Confident180 Ų180104.1 Ų104.168%0.67958%0.583SS**THydrogen-bonded Turntrans-118.1-25.1-177.8-67.3-176.6-168.6-155.74.7113.4R138 G147 I148R138-R151 HydrophobicContact CG-CG 4.35Å; G147-R151 WeakPolarHBondContact O-CG 3.41Å; I148-R151 PolarHBondContact O-N 3.44Å
152Q81.8Confident78.2Confident116 Ų116100.3 Ų100.354%0.54258%0.58SS.*SBendtrans-118.4136.1-179.3-68.9-177.4-14.800109.4I148 I154I148-Q152 HydrophobicContact CG1-CG 4.18Å; I148-Q152 PolarHBondContact O-N 3.47Å; Q152-I154 PolarHBondContact O-N 2.95Å
153D74.3Confident77.6Confident143 Ų14399.4 Ų99.477%0.76558%0.578SS**  trans-77.6101.7166.1-168.913.1000107.4L155D153-L155 PolarHBondContact O-N 2.6Å
154I70.4Confident77.1Confident122 Ų122104.5 Ų104.563%0.62659%0.591SS**  trans-82.397.2178.4-56.4175.7000106.4Q152Q152-I154 PolarHBondContact O-N 2.95Å
155L70.3Confident76.5Confident135 Ų135106.5 Ų106.571%0.70760%0.6SS**  trans-70.2143.5171.9-63174.1000109.7D153 D157D153-L155 PolarHBondContact O-N 2.6Å; L155-D157 PolarHBondContact O-N 3.02Å
156D70.5Confident75.7Confident127 Ų127107.8 Ų107.868%0.67960%0.596SS**  trans-71.1110.8175.3-176.3-121000109.9S158D156-S158 PolarHBondContact O-N 3.24Å; D156-S158 VanDerWaalsContact OD1-CB 3.23Å; D156-S158 WeakPolarHBondContact OD1-CB 3.23Å; D156-S158 PolarHBondContact OD1-OG 3.35Å
157D70.2Confident75Confident161 Ų161105.6 Ų105.686%0.86160%0.596SS**  trans-88.521.3-178.7-16133.6000112.5L155 G159L155-D157 PolarHBondContact O-N 3.02Å; D157-G159 PolarHBondContact O-N 3.32Å
158S75.3Confident74.4Confident74 Ų74107.3 Ų107.352%0.51761%0.614SS.*SBendtrans-67.5-2.617971.50000113.5D156 Y160D156-S158 PolarHBondContact O-N 3.24Å; D156-S158 VanDerWaalsContact OD1-CB 3.23Å; D156-S158 WeakPolarHBondContact OD1-CB 3.23Å; D156-S158 PolarHBondContact OD1-OG 3.35Å; S158-Y160 PolarHBondContact O-N 2.51Å; S158-Y160 VanDerWaalsContact OG-CB 3.24Å; S158-Y160 WeakPolarHBondContact OG-CB 3.24Å; S158-Y160 PolarHBondContact OG-N 3.41Å
159G71.3Confident74.1Confident76 Ų76104 Ų10478%0.78460%0.599SS**SBendtrans718.6-174.100000113.3D157D157-G159 PolarHBondContact O-N 3.32Å
160Y68.7Low73.4Confident95 Ų95109 Ų10937%0.37361%0.606SS.*  trans-92.4134.5-174.6-140.8-110.1000112S158 S162 Y164 A167S158-Y160 PolarHBondContact O-N 2.51Å; S158-Y160 VanDerWaalsContact OG-CB 3.24Å; S158-Y160 WeakPolarHBondContact OG-CB 3.24Å; S158-Y160 PolarHBondContact OG-N 3.41Å; Y160-S162 PolarHBondContact O-N 2.93Å; Y160-Y164 HydrophobicContact CD1-CD1 4.25Å; Y160-Y164 HydrophobicContact CD1-CG 4.44Å; Y160-Y164 AromaticContact CE1-CD1 3.1Å; Y160-Y164 HydrophobicContact CE1-CD1 3.1Å; Y160-Y164 AromaticContact CE1-CE1 3.86Å; Y160-Y164 HydrophobicContact CE1-CE1 3.86Å; Y160-Y164 AromaticContact CE1-CG 3.62Å; Y160-Y164 HydrophobicContact CE1-CG 3.62Å; Y160-Y164 AromaticContact CZ-CD1 3.28Å; Y160-Y164 AromaticContact CZ-CE1 3.54Å; Y160-Y164 AromaticContact CZ-CG 3.94Å; Y160-Y164 WeakPolarHBondContact OH-CD1 3.31Å; Y160-Y164 WeakPolarHBondContact OH-CE1 3.45Å; Y160-A167 HydrophobicContact CD1-CB 3.81Å; Y160-A167 HydrophobicContact CE1-CB 3.3Å; Y160-A167 VanDerWaalsContact OH-CA 3.31Å; Y160-A167 WeakPolarHBondContact OH-CA 3Å; Y160-A167 PolarHBondContact OH-N 3.3Å
161V71.5Confident72.9Confident106 Ų106114.5 Ų114.564%0.64263%0.633SS**  trans-68.2126.8179.9-177.20000108.9A163 Y164V161-A163 PolarHBondContact O-N 2.86Å; V161-Y164 WeakPolarHBondContact O-CB 2.75Å; V161-Y164 PolarHBondContact O-N 3.42Å
162S66.3Low72.4Confident132 Ų132111.2 Ų111.292%0.92363%0.633SS**THydrogen-bonded Turntrans-52.5-24-175.456.10000115.3Y160Y160-S162 PolarHBondContact O-N 2.93Å
163A70.5Confident71.6Confident78 Ų78112.5 Ų112.565%0.64564%0.637SS**THydrogen-bonded Turntrans-86-9.8178.300000114.6V161 K165V161-A163 PolarHBondContact O-N 2.86Å; A163-K165 PolarHBondContact O-N 3.37Å
164Y73.4Confident71.3Confident131 Ų131109.8 Ų109.851%0.51463%0.625SS.*  trans-86114.1-174.8-166.5-75.8000111.5Y160 V161 N166Y160-Y164 HydrophobicContact CD1-CD1 4.25Å; Y160-Y164 HydrophobicContact CD1-CG 4.44Å; Y160-Y164 AromaticContact CE1-CD1 3.1Å; Y160-Y164 HydrophobicContact CE1-CD1 3.1Å; Y160-Y164 AromaticContact CE1-CE1 3.86Å; Y160-Y164 HydrophobicContact CE1-CE1 3.86Å; Y160-Y164 AromaticContact CE1-CG 3.62Å; Y160-Y164 HydrophobicContact CE1-CG 3.62Å; Y160-Y164 AromaticContact CZ-CD1 3.28Å; Y160-Y164 AromaticContact CZ-CE1 3.54Å; Y160-Y164 AromaticContact CZ-CG 3.94Å; Y160-Y164 WeakPolarHBondContact OH-CD1 3.31Å; Y160-Y164 WeakPolarHBondContact OH-CE1 3.45Å; V161-Y164 WeakPolarHBondContact O-CB 2.75Å; V161-Y164 PolarHBondContact O-N 3.42Å; Y164-N166 HydrophobicContact CD1-CB 4.14Å; Y164-N166 VanDerWaalsContact CD1-N 3.3Å; Y164-N166 HydrophobicContact CE1-CB 3.44Å; Y164-N166 VanDerWaalsContact CE1-CB 3.44Å
165K74.9Confident70.6Confident191 Ų191112.8 Ų112.883%0.8363%0.634SS**THydrogen-bonded Turntrans-89.1-8.2-170.2-60.5-177.6-180-179.80115.3A163A163-K165 PolarHBondContact O-N 3.37Å
166N72.9Confident69.9Low73 Ų73119.7 Ų119.739%0.3966%0.658SS.*THydrogen-bonded Turntrans-102.622.6-176-53.1-74.3000113.3Y164 G168 T169Y164-N166 HydrophobicContact CD1-CB 4.14Å; Y164-N166 VanDerWaalsContact CD1-N 3.3Å; Y164-N166 HydrophobicContact CE1-CB 3.44Å; Y164-N166 VanDerWaalsContact CE1-CB 3.44Å; N166-G168 PolarHBondContact O-N 3.17Å; N166-T169 WeakPolarHBondContact CB-OG1 3.31Å; N166-T169 PolarHBondContact O-N 3.44Å; N166-T169 PolarHBondContact O-OG1 2.95Å; N166-T169 VanDerWaalsContact O-OG1 3.08Å
167A72.8Confident69.9Low55 Ų55119.3 Ų119.346%0.45566%0.657SS.*THydrogen-bonded Turntrans-56.2132.1170.600000110.2Y160 T169Y160-A167 HydrophobicContact CD1-CB 3.81Å; Y160-A167 HydrophobicContact CE1-CB 3.3Å; Y160-A167 VanDerWaalsContact OH-CA 3.31Å; Y160-A167 WeakPolarHBondContact OH-CA 3Å; Y160-A167 PolarHBondContact OH-N 3.3Å; A167-T169 PolarHBondContact O-N 3.08Å
168G73.1Confident69.9Low77 Ų77117.1 Ų117.179%0.79465%0.646SS**THydrogen-bonded Turntrans71.13.7176.100000116.1N166N166-G168 PolarHBondContact O-N 3.17Å
169T76.5Confident69.6Low40 Ų40119.5 Ų119.525%0.24565%0.653CS.*  trans-92.811.5-179.972.30000113.9N166 A167 T172 K173N166-T169 WeakPolarHBondContact CB-OG1 3.31Å; N166-T169 PolarHBondContact O-N 3.44Å; N166-T169 PolarHBondContact O-OG1 2.95Å; N166-T169 VanDerWaalsContact O-OG1 3.08Å; A167-T169 PolarHBondContact O-N 3.08Å; T169-T172 VanDerWaalsContact C-OG1 3.31Å; T169-T172 VanDerWaalsContact CA-OG1 3.31Å; T169-T172 WeakPolarHBondContact CA-OG1 3.46Å; T169-T172 PolarHBondContact O-OG1 3.39Å; T169-T172 VanDerWaalsContact O-OG1 3.11Å; T169-K173 WeakPolarHBondContact O-CG 3.3Å; T169-K173 PolarHBondContact O-N 3.18Å
170Y70.4Confident69.5Low170 Ų170122.1 Ų122.167%0.66765%0.646SS**Hα-helixtrans-69.7-52.7-176.4-174.8-99.3000110.7T172 K173 V174Y170-T172 PolarHBondContact O-N 3.47Å; Y170-K173 PolarHBondContact O-N 3.11Å; Y170-V174 HydrophobicContact CD1-CG2 4.09Å; Y170-V174 HydrophobicContact CD2-CG2 4.32Å; Y170-V174 HydrophobicContact CE1-CG2 3.8Å; Y170-V174 HydrophobicContact CE2-CG2 4.03Å; Y170-V174 HydrophobicContact CG-CG2 4.34Å; Y170-V174 VanDerWaalsContact O-CG2 3.3Å; Y170-V174 WeakPolarHBondContact O-CG2 3.45Å; Y170-V174 PolarHBondContact O-N 3.19Å
171D72.5Confident69.5Low122 Ų122123.8 Ų123.865%0.65266%0.663SS**Hα-helixtrans-62.1-27.3-180-67.6-80.9000114.1
172T72.3Confident69.4Low111 Ų111124.9 Ų124.968%0.68166%0.664SS**Hα-helixtrans-73.6-24.8174.221.50000113.1T169 Y170T169-T172 VanDerWaalsContact C-OG1 3.31Å; T169-T172 VanDerWaalsContact CA-OG1 3.31Å; T169-T172 WeakPolarHBondContact CA-OG1 3.46Å; T169-T172 PolarHBondContact O-OG1 3.39Å; T169-T172 VanDerWaalsContact O-OG1 3.11Å; Y170-T172 PolarHBondContact O-N 3.47Å
173K64.9Low69.6Low144 Ų144124.4 Ų124.463%0.62665%0.645SS**Hα-helixtrans-90.4-21.3178.2-73177.8-178.91760113.7T169 Y170T169-K173 WeakPolarHBondContact O-CG 3.3Å; T169-K173 PolarHBondContact O-N 3.18Å; Y170-K173 PolarHBondContact O-N 3.11Å
174V67.9Low69.5Low85 Ų85128 Ų12852%0.51565%0.645SS.*Hα-helixtrans-98.1-10.4-171.9-174.50000112.9Y170 K176Y170-V174 HydrophobicContact CD1-CG2 4.09Å; Y170-V174 HydrophobicContact CD2-CG2 4.32Å; Y170-V174 HydrophobicContact CE1-CG2 3.8Å; Y170-V174 HydrophobicContact CE2-CG2 4.03Å; Y170-V174 HydrophobicContact CG-CG2 4.34Å; Y170-V174 VanDerWaalsContact O-CG2 3.3Å; Y170-V174 WeakPolarHBondContact O-CG2 3.45Å; Y170-V174 PolarHBondContact O-N 3.19Å; V174-K176 PolarHBondContact O-N 3.02Å
175K57.4Low69.2Low185 Ų185127.8 Ų127.880%0.80466%0.656SS**  trans-71.198169.5-79.7-178.5175179.90110.5
176K55Low68.7Low280 Ų280122 Ų122100%1.21764%0.641SS**  trans-76.50161.5-102.7-174.8176.6-179.50110.9V174V174-K176 PolarHBondContact O-N 3.02Å

Retrieved 176 of 176 residues in 31.1 ms (Link to these results)

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