A0A060YJU3_ONCMY Loading...

Serum amyloid A protein

Major acute phase reactant. Apolipoprotein of the HDL complex.

AlphaFold DB , UniProt , Accession A0A060YJU3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 121 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
1M63Low72.5Confident200 Ų200116.4 Ų116.499%0.98563%0.633SS**  0-530-79.2177.87000113.9L3 L4 L5M1-L3 PolarHBondContact O-N 3.13Å; M1-L4 PolarHBondContact O-N 3.37Å; M1-L5 PolarHBondContact O-N 2.85Å
2K56.3Low72.8Confident188 Ų188116.3 Ų116.382%0.81763%0.631SS**Hα-helixtrans-60.1-39.4-175.5-63.7179.6-180179.20114.7L5 A6K2-L5 PolarHBondContact O-N 2.95Å; K2-A6 WeakPolarHBondContact O-CB 3.44Å; K2-A6 PolarHBondContact O-N 3.39Å
3L70Confident72.9Confident157 Ų157114.8 Ų114.882%0.82262%0.621SS**Hα-helixtrans-71.8-35177.8-65.4172.5000113.3M1 A6 G7M1-L3 PolarHBondContact O-N 3.13Å; L3-A6 PolarHBondContact O-N 2.86Å; L3-G7 PolarHBondContact O-N 2.69Å
4L74.4Confident72.9Confident138 Ų138113.3 Ų113.372%0.72362%0.617SS**Hα-helixtrans-67.6-41.5173.9-69.7170000111M1 G7 L8M1-L4 PolarHBondContact O-N 3.37Å; L4-G7 PolarHBondContact O-N 2.9Å; L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 PolarHBondContact O-N 3.38Å
5L72.7Confident72.5Confident118 Ų118108.5 Ų108.562%0.61860%0.604SS**Hα-helixtrans-64.4-43.6175.2-167.173.1000111.3M1 K2 G7 L8 V9M1-L5 PolarHBondContact O-N 2.85Å; K2-L5 PolarHBondContact O-N 2.95Å; L5-G7 PolarHBondContact O-N 3.04Å; L5-L8 PolarHBondContact O-N 2.89Å; L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 2.99Å
6A74.4Confident72Confident56 Ų56105.6 Ų105.646%0.46360%0.599SS.*Hα-helixtrans-61.5-42.1175.400000112.1K2 L3 V9 L10K2-A6 WeakPolarHBondContact O-CB 3.44Å; K2-A6 PolarHBondContact O-N 3.39Å; L3-A6 PolarHBondContact O-N 2.86Å; A6-V9 PolarHBondContact O-N 3.41Å; A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 PolarHBondContact O-N 3.25Å
7G77.3Confident71.7Confident36 Ų36105.5 Ų105.537%0.37159%0.592SS.*Hα-helixtrans-61.8-42.7174.700000113L3 L4 L5 L10 T11L3-G7 PolarHBondContact O-N 2.69Å; L4-G7 PolarHBondContact O-N 2.9Å; L5-G7 PolarHBondContact O-N 3.04Å; G7-L10 PolarHBondContact O-N 2.99Å; G7-T11 WeakPolarHBondContact O-CG2 3.4Å; G7-T11 PolarHBondContact O-N 3.03Å; G7-T11 PolarHBondContact O-OG1 2.9Å
8L80.9Confident71.4Confident104 Ų104102.2 Ų102.255%0.54558%0.58SS.*Hα-helixtrans-68-37.9178.1-167128.5000112.5L4 L5 T11 L12L4-L8 WeakPolarHBondContact O-CB 3.4Å; L4-L8 PolarHBondContact O-N 3.38Å; L5-L8 PolarHBondContact O-N 2.89Å; L8-T11 WeakPolarHBondContact CA-OG1 3.33Å; L8-T11 PolarHBondContact O-OG1 3.03Å; L8-L12 HydrophobicContact CD2-CD1 3.84Å; L8-L12 VanDerWaalsContact O-CG 3.22Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.13Å
9V78.6Confident71.4Confident71 Ų71102.8 Ų102.843%0.4358%0.578SS.*Hα-helixtrans-66.1-42.1174.2170.70000110.8L5 A6 T11 L12 I13L5-V9 VanDerWaalsContact O-CG2 3.31Å; L5-V9 WeakPolarHBondContact O-CG2 3.48Å; L5-V9 PolarHBondContact O-N 2.99Å; A6-V9 PolarHBondContact O-N 3.41Å; V9-T11 PolarHBondContact O-N 3.14Å; V9-L12 PolarHBondContact O-N 2.8Å; V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 2.67Å
10L76.2Confident71.5Confident118 Ų118107.7 Ų107.762%0.61859%0.587SS**Hα-helixtrans-63.5-43179.4-15385.6000111.8A6 G7 L12 I13 V14A6-L10 WeakPolarHBondContact O-CB 3.45Å; A6-L10 PolarHBondContact O-N 3.25Å; G7-L10 PolarHBondContact O-N 2.99Å; L10-L12 PolarHBondContact O-N 3.09Å; L10-I13 PolarHBondContact O-N 2.67Å; L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.48Å
11T73.4Confident71.8Confident94 Ų94110.5 Ų110.558%0.57759%0.59SS**Hα-helixtrans-65.4-37.4177.851.60000112.3G7 L8 V9 G15G7-T11 WeakPolarHBondContact O-CG2 3.4Å; G7-T11 PolarHBondContact O-N 3.03Å; G7-T11 PolarHBondContact O-OG1 2.9Å; L8-T11 WeakPolarHBondContact CA-OG1 3.33Å; L8-T11 PolarHBondContact O-OG1 3.03Å; V9-T11 PolarHBondContact O-N 3.14Å; T11-G15 PolarHBondContact O-N 3.08Å
12L76.8Confident73Confident115 Ų115108.7 Ų108.760%0.60257%0.572SS**Hα-helixtrans-65.5-43.1174.8-70.2170.7000112.4L8 V9 L10 G15 A16L8-L12 HydrophobicContact CD2-CD1 3.84Å; L8-L12 VanDerWaalsContact O-CG 3.22Å; L8-L12 WeakPolarHBondContact O-CG 3.34Å; L8-L12 PolarHBondContact O-N 3.13Å; V9-L12 PolarHBondContact O-N 2.8Å; L10-L12 PolarHBondContact O-N 3.09Å; L12-G15 PolarHBondContact O-N 3.41Å; L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.55Å
13I73.9Confident74.8Confident98 Ų98103 Ų10350%0.50355%0.547SS..Hα-helixtrans-64.6-47178.2-68.3168.1000110.9V9 L10 G15 A16 Q17V9-I13 HydrophobicContact CG1-CD1 3.76Å; V9-I13 HydrophobicContact CG1-CG1 4.45Å; V9-I13 WeakPolarHBondContact O-CG1 3.41Å; V9-I13 PolarHBondContact O-N 2.67Å; L10-I13 PolarHBondContact O-N 2.67Å; I13-G15 VanDerWaalsContact C-N 3.32Å; I13-G15 PolarHBondContact O-N 3.46Å; I13-A16 PolarHBondContact O-N 3.25Å; I13-Q17 WeakPolarHBondContact O-CB 3.5Å; I13-Q17 WeakPolarHBondContact O-CG 3.45Å; I13-Q17 PolarHBondContact O-N 3.39Å
14V72.4Confident75.9Confident93 Ų9399.2 Ų99.256%0.56453%0.533SS*.Hα-helixtrans-62.9-40.9177.7172.90000110.9L10 Q17 A18L10-V14 VanDerWaalsContact O-CG2 3.31Å; L10-V14 WeakPolarHBondContact O-CG2 3.44Å; L10-V14 PolarHBondContact O-N 3.48Å; V14-Q17 PolarHBondContact O-N 2.94Å; V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.41Å; V14-A18 PolarHBondContact O-N 2.66Å
15G66.8Low76.9Confident41 Ų4194 Ų9442%0.42351%0.511SS..Hα-helixtrans-62-45.4175.300000113T11 L12 I13 A18 Q19T11-G15 PolarHBondContact O-N 3.08Å; L12-G15 PolarHBondContact O-N 3.41Å; I13-G15 VanDerWaalsContact C-N 3.32Å; I13-G15 PolarHBondContact O-N 3.46Å; G15-A18 PolarHBondContact O-N 2.51Å; G15-Q19 WeakPolarHBondContact O-CB 3.31Å; G15-Q19 PolarHBondContact O-N 3.41Å
16A65Low78.1Confident63 Ų6388.7 Ų88.752%0.52148%0.484SS..Hα-helixtrans-63.8-43.8177.800000112.2L12 I13 Q19 W20L12-A16 WeakPolarHBondContact O-CB 3.36Å; L12-A16 PolarHBondContact O-N 2.55Å; I13-A16 PolarHBondContact O-N 3.25Å; A16-Q19 PolarHBondContact O-N 2.91Å; A16-W20 PolarHBondContact O-N 2.8Å
17Q67.8Low79.2Confident103 Ų10386.5 Ų86.548%0.48147%0.466SS..Hα-helixtrans-61.4-48.9174.8-78.5-98-88.600111.6I13 V14 Q19 W20 Y21I13-Q17 WeakPolarHBondContact O-CB 3.5Å; I13-Q17 WeakPolarHBondContact O-CG 3.45Å; I13-Q17 PolarHBondContact O-N 3.39Å; V14-Q17 PolarHBondContact O-N 2.94Å; Q17-Q19 VanDerWaalsContact C-N 3.29Å; Q17-Q19 PolarHBondContact O-N 2.95Å; Q17-W20 WeakPolarHBondContact O-CB 3.4Å; Q17-W20 PolarHBondContact O-N 3.01Å; Q17-W20 VanDerWaalsContact O-N 3.16Å; Q17-Y21 WeakPolarHBondContact O-CD2 3.38Å; Q17-Y21 PolarHBondContact O-N 2.83Å
18A66.3Low80.1Confident46 Ų4688 Ų8838%0.3847%0.474SS..Hα-helixtrans-60.8-38.4178.700000112.4V14 G15 Y21 R22V14-A18 VanDerWaalsContact O-CB 3.31Å; V14-A18 WeakPolarHBondContact O-CB 3.41Å; V14-A18 PolarHBondContact O-N 2.66Å; G15-A18 PolarHBondContact O-N 2.51Å; A18-Y21 PolarHBondContact O-N 3.36Å; A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.47Å; A18-R22 PolarHBondContact O-N 3.38Å; A18-R22 VanDerWaalsContact O-N 3.17Å
19Q70.5Confident81Confident115 Ų11588.3 Ų88.354%0.53747%0.468SS..Hα-helixtrans-67.4-38.3176.3-168.4156.1-87.500111.9G15 A16 Q17 Y21 R22 F23G15-Q19 WeakPolarHBondContact O-CB 3.31Å; G15-Q19 PolarHBondContact O-N 3.41Å; A16-Q19 PolarHBondContact O-N 2.91Å; Q17-Q19 VanDerWaalsContact C-N 3.29Å; Q17-Q19 PolarHBondContact O-N 2.95Å; Q19-Y21 VanDerWaalsContact C-N 3.33Å; Q19-Y21 PolarHBondContact O-N 2.83Å; Q19-R22 PolarHBondContact O-N 3Å; Q19-F23 WeakPolarHBondContact O-CB 3.15Å; Q19-F23 PolarHBondContact O-N 3.16Å
20W73.4Confident81.9Confident199 Ų19984.9 Ų84.975%0.75445%0.448SS*.Hα-helixtrans-60.2-39176.5-167.5-93000113A16 Q17 P24A16-W20 PolarHBondContact O-N 2.8Å; Q17-W20 WeakPolarHBondContact O-CB 3.4Å; Q17-W20 PolarHBondContact O-N 3.01Å; Q17-W20 VanDerWaalsContact O-N 3.16Å; W20-P24 WeakPolarHBondContact O-CD 3.27Å
21Y77Confident83Confident168 Ų16881 Ų8166%0.65943%0.433SS*.Hα-helixtrans-76-34177.5-69.6-68.9000113.4Q17 A18 Q19Q17-Y21 WeakPolarHBondContact O-CD2 3.38Å; Q17-Y21 PolarHBondContact O-N 2.83Å; A18-Y21 PolarHBondContact O-N 3.36Å; Q19-Y21 VanDerWaalsContact C-N 3.33Å; Q19-Y21 PolarHBondContact O-N 2.83Å
22R89.8Confident84.2Confident162 Ų16285.9 Ų85.961%0.61144%0.441SS*.Hα-helixtrans-79.7-38-177.3-69.8177.664149.95.1112.5A18 Q19 G25 E26A18-R22 VanDerWaalsContact O-CG 3.31Å; A18-R22 WeakPolarHBondContact O-CG 3.47Å; A18-R22 PolarHBondContact O-N 3.38Å; A18-R22 VanDerWaalsContact O-N 3.17Å; Q19-R22 PolarHBondContact O-N 3Å; R22-G25 PolarHBondContact O-N 3.32Å; R22-G25 VanDerWaalsContact O-N 3.15Å; R22-E26 IonicContact NE-OE1 3.4Å; R22-E26 PolarHBondContact NE-OE1 3.46Å; R22-E26 IonicContact NH2-OE1 3.73Å; R22-E26 VanDerWaalsContact O-CG 3.29Å; R22-E26 WeakPolarHBondContact O-CG 3.47Å; R22-E26 PolarHBondContact O-N 3.27Å
23F93.7Very high85.2Confident67 Ų6780.6 Ų80.629%0.29441%0.413SS..Hα-helixtrans-54.2-48.1-171.5-177.4-81.1000114Q19 G25 E26 A27 P66 G67 W70Q19-F23 WeakPolarHBondContact O-CB 3.15Å; Q19-F23 PolarHBondContact O-N 3.16Å; F23-G25 VanDerWaalsContact C-N 3.34Å; F23-G25 PolarHBondContact O-N 2.91Å; F23-E26 PolarHBondContact O-N 2.68Å; F23-A27 WeakPolarHBondContact O-CB 3.22Å; F23-A27 PolarHBondContact O-N 3.07Å; F23-P66 HydrophobicContact CD2-CB 4.35Å; F23-G67 VanDerWaalsContact CD2-CA 3.47Å; F23-G67 VanDerWaalsContact CE2-CA 3.44Å; F23-W70 HydrophobicContact CE1-CD2 4.38Å; F23-W70 HydrophobicContact CE1-CE3 4.31Å; F23-W70 HydrophobicContact CE2-CB 4.14Å; F23-W70 HydrophobicContact CZ-CB 3.77Å; F23-W70 AromaticContact CZ-CD2 3.96Å; F23-W70 HydrophobicContact CZ-CD2 3.96Å; F23-W70 HydrophobicContact CZ-CE3 4.25Å; F23-W70 AromaticContact CZ-CG 3.74Å; F23-W70 HydrophobicContact CZ-CG 3.74Å
24P93.5Very high86.4Confident79 Ų7977 Ų7751%0.51339%0.394SS..Hα-helixtrans-61.8-40.7179.5-23.634.5000112.8W20 A27 A28W20-P24 WeakPolarHBondContact O-CD 3.27Å; P24-A27 PolarHBondContact O-N 3.13Å; P24-A28 WeakPolarHBondContact O-CB 3.41Å; P24-A28 PolarHBondContact O-N 3.4Å
25G95.4Very high87.6Confident27 Ų2781.7 Ų81.728%0.27840%0.402SS..Hα-helixtrans-67.3-37.317700000112.5R22 F23 R29R22-G25 PolarHBondContact O-N 3.32Å; R22-G25 VanDerWaalsContact O-N 3.15Å; F23-G25 VanDerWaalsContact C-N 3.34Å; F23-G25 PolarHBondContact O-N 2.91Å; G25-R29 WeakPolarHBondContact O-CB 3.44Å; G25-R29 WeakPolarHBondContact O-CG 3.33Å; G25-R29 VanDerWaalsContact O-CZ 3.29Å; G25-R29 PolarHBondContact O-N 3.06Å; G25-R29 VanDerWaalsContact O-N 3.1Å; G25-R29 PolarHBondContact O-NE 3.45Å; G25-R29 PolarHBondContact O-NH1 3.45Å
26E98Very high89.1Confident7 Ų785 Ų853%0.03340%0.402CS..Hα-helixtrans-65.9-42.8173.5-64.6173.8178.200111.7R22 F23 R29 G30 R64 P66 G67 G68R22-E26 IonicContact NE-OE1 3.4Å; R22-E26 PolarHBondContact NE-OE1 3.46Å; R22-E26 IonicContact NH2-OE1 3.73Å; R22-E26 VanDerWaalsContact O-CG 3.29Å; R22-E26 WeakPolarHBondContact O-CG 3.47Å; R22-E26 PolarHBondContact O-N 3.27Å; F23-E26 PolarHBondContact O-N 2.68Å; E26-R29 PolarHBondContact O-N 2.95Å; E26-G30 PolarHBondContact O-N 3.48Å; E26-R64 HydrophobicContact CB-CB 4.42Å; E26-R64 WeakPolarHBondContact CG-O 3.27Å; E26-P66 VanDerWaalsContact OE2-CD 3.27Å; E26-P66 WeakPolarHBondContact OE2-CD 3.46Å; E26-G67 PolarHBondContact OE2-N 2.93Å; E26-G67 VanDerWaalsContact OE2-N 3.15Å; E26-G68 WeakPolarHBondContact O-CA 3.4Å; E26-G68 PolarHBondContact O-N 3.31Å
27A96.8Very high90.7Very high11 Ų1182.2 Ų82.29%0.09138%0.378CS..Hα-helixtrans-63.4-45.7176.700000112.1F23 P24 R29 G30 A31 G67 W70 A71F23-A27 WeakPolarHBondContact O-CB 3.22Å; F23-A27 PolarHBondContact O-N 3.07Å; P24-A27 PolarHBondContact O-N 3.13Å; A27-R29 PolarHBondContact O-N 2.8Å; A27-G30 PolarHBondContact O-N 2.86Å; A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.01Å; A27-G67 VanDerWaalsContact CA-C 3.5Å; A27-G67 VanDerWaalsContact CA-O 3.29Å; A27-G67 WeakPolarHBondContact CA-O 3.23Å; A27-G67 WeakPolarHBondContact CB-O 3.36Å; A27-W70 HydrophobicContact CB-CE3 3.96Å; A27-W70 HydrophobicContact CB-CZ3 4.12Å; A27-A71 HydrophobicContact CB-CB 4.36Å; A27-A71 WeakPolarHBondContact O-CB 3.29Å
28A96.8Very high92.1Very high66 Ų6682.4 Ų82.455%0.54538%0.376SS..Hα-helixtrans-61.6-42.8176.800000112.1P24 A31 R32P24-A28 WeakPolarHBondContact O-CB 3.41Å; P24-A28 PolarHBondContact O-N 3.4Å; A28-A31 PolarHBondContact O-N 3.43Å; A28-R32 PolarHBondContact O-N 3.08Å
29R98.6Very high93.6Very high111 Ų11181.7 Ų81.742%0.41937%0.373SS..Hα-helixtrans-65.6-42.5174.5-72.5-174-62.1-931.2111.9G25 E26 A27 A31 R32 D33 R64G25-R29 WeakPolarHBondContact O-CB 3.44Å; G25-R29 WeakPolarHBondContact O-CG 3.33Å; G25-R29 VanDerWaalsContact O-CZ 3.29Å; G25-R29 PolarHBondContact O-N 3.06Å; G25-R29 VanDerWaalsContact O-N 3.1Å; G25-R29 PolarHBondContact O-NE 3.45Å; G25-R29 PolarHBondContact O-NH1 3.45Å; E26-R29 PolarHBondContact O-N 2.95Å; A27-R29 PolarHBondContact O-N 2.8Å; R29-A31 PolarHBondContact O-N 3.28Å; R29-R32 WeakPolarHBondContact O-CB 3.3Å; R29-R32 PolarHBondContact O-N 2.92Å; R29-D33 VanDerWaalsContact O-CG 3.3Å; R29-D33 PolarHBondContact O-N 3.14Å; R29-R64 HydrophobicContact CB-CG 3.97Å
30G98.6Very high94.9Very high0 Ų078.1 Ų78.10%036%0.357CS..Hα-helixtrans-62-42.3176.400000112.4E26 A27 R32 D33 M34 A61E26-G30 PolarHBondContact O-N 3.48Å; A27-G30 PolarHBondContact O-N 2.86Å; G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 3.23Å; G30-D33 PolarHBondContact O-N 2.87Å; G30-M34 WeakPolarHBondContact O-CG 3.12Å; G30-M34 PolarHBondContact O-N 3.29Å; G30-A61 WeakPolarHBondContact O-CB 3.24Å
31A98.1Very high96.1Very high37 Ų3770.1 Ų70.131%0.30633%0.329SS..Hα-helixtrans-61.2-41.1173.500000112A27 A28 R29 D33 M34 W35 I75A27-A31 WeakPolarHBondContact O-CB 3.46Å; A27-A31 PolarHBondContact O-N 3.01Å; A28-A31 PolarHBondContact O-N 3.43Å; R29-A31 PolarHBondContact O-N 3.28Å; A31-D33 VanDerWaalsContact C-N 3.33Å; A31-D33 PolarHBondContact O-N 2.74Å; A31-M34 PolarHBondContact O-N 2.91Å; A31-W35 PolarHBondContact O-N 2.9Å; A31-I75 HydrophobicContact CB-CD1 3.9Å
32R98.6Very high97Very high196 Ų19668.3 Ų68.374%0.7432%0.324SS*.Hα-helixtrans-61.9-39.6173.7-177.4-178.6176.4-176.2-0.6112.2A28 R29 G30 W35 R36A28-R32 PolarHBondContact O-N 3.08Å; R29-R32 WeakPolarHBondContact O-CB 3.3Å; R29-R32 PolarHBondContact O-N 2.92Å; G30-R32 VanDerWaalsContact C-N 3.33Å; G30-R32 PolarHBondContact O-N 3.23Å; R32-W35 PolarHBondContact O-N 3.24Å; R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 2.85Å
33D98.8Very high97.4Very high4 Ų465.3 Ų65.32%0.02132%0.32CS..Hα-helixtrans-66.3-41.4176.8-64.4-39.8000111.7R29 G30 A31 R36 A37 D60 A61 R64R29-D33 VanDerWaalsContact O-CG 3.3Å; R29-D33 PolarHBondContact O-N 3.14Å; G30-D33 PolarHBondContact O-N 2.87Å; A31-D33 VanDerWaalsContact C-N 3.33Å; A31-D33 PolarHBondContact O-N 2.74Å; D33-R36 PolarHBondContact O-N 3.17Å; D33-R36 IonicContact OD1-NH2 3.81Å; D33-A37 PolarHBondContact O-N 2.86Å; D33-D60 HydrophobicContact CB-CB 3.84Å; D33-A61 HydrophobicContact CB-CB 4.28Å; D33-R64 IonicContact OD1-CZ 2.68Å; D33-R64 IonicContact OD1-NE 3.84Å; D33-R64 IonicContact OD1-NH2 2.91Å; D33-R64 PolarHBondContact OD1-NH2 3.26Å; D33-R64 WeakPolarHBondContact OD2-CG 3.42Å; D33-R64 IonicContact OD2-CZ 2.8Å; D33-R64 IonicContact OD2-NE 2.79Å; D33-R64 PolarHBondContact OD2-NE 3.33Å; D33-R64 IonicContact OD2-NH2 3.51Å; D33-R64 PolarHBondContact OD2-NH2 3.46Å
34M98.5Very high97.6Very high23 Ų2362.7 Ų62.711%0.11331%0.311CS..Hα-helixtrans-61.8-44.2174.2-65.5-68.8-72.100111.4G30 A31 A37 Y38 A61 A72 I75G30-M34 WeakPolarHBondContact O-CG 3.12Å; G30-M34 PolarHBondContact O-N 3.29Å; A31-M34 PolarHBondContact O-N 2.91Å; M34-A37 PolarHBondContact O-N 3.4Å; M34-Y38 PolarHBondContact O-N 3.29Å; M34-A61 HydrophobicContact CG-CB 4.09Å; M34-A61 HydrophobicContact SD-CB 4.26Å; M34-A72 HydrophobicContact SD-CB 4.02Å; M34-I75 HydrophobicContact CB-CD1 4.02Å; M34-I75 HydrophobicContact CB-CG2 4.26Å; M34-I75 HydrophobicContact CE-CB 4.11Å; M34-I75 HydrophobicContact CE-CG2 3.9Å; M34-I75 HydrophobicContact CG-CD1 4.14Å
35W97.4Very high97.8Very high191 Ų19165.9 Ų65.972%0.72332%0.324SS*.Hα-helixtrans-61.5-44.5175.2-179-92000112.2A31 R32 A37 Y38 G39A31-W35 PolarHBondContact O-N 2.9Å; R32-W35 PolarHBondContact O-N 3.24Å; W35-A37 VanDerWaalsContact C-N 3.32Å; W35-A37 PolarHBondContact O-N 3.25Å; W35-Y38 PolarHBondContact O-N 2.99Å; W35-G39 PolarHBondContact O-N 3.46Å
36R98.6Very high97.9Very high110 Ų11069.6 Ų69.642%0.41533%0.33SS..Hα-helixtrans-59.2-43.9175.2179.9-178.266.2172.22.8111.3R32 D33 Y38 G39 D40 D60R32-R36 WeakPolarHBondContact O-CB 3.47Å; R32-R36 PolarHBondContact O-N 2.85Å; D33-R36 PolarHBondContact O-N 3.17Å; D33-R36 IonicContact OD1-NH2 3.81Å; R36-Y38 VanDerWaalsContact C-N 3.33Å; R36-Y38 PolarHBondContact O-N 3.5Å; R36-G39 PolarHBondContact O-N 3.15Å; R36-D40 WeakPolarHBondContact O-CB 3.42Å; R36-D40 PolarHBondContact O-N 3.33Å; R36-D60 IonicContact CZ-OD2 3.79Å; R36-D60 IonicContact NH2-OD2 2.69Å; R36-D60 PolarHBondContact NH2-OD2 3.47Å
37A98.5Very high97.8Very high4 Ų477.2 Ų77.23%0.03336%0.363CS..Hα-helixtrans-62.8-39.5177.900000113D33 M34 W35 M41 G57D33-A37 PolarHBondContact O-N 2.86Å; M34-A37 PolarHBondContact O-N 3.4Å; W35-A37 VanDerWaalsContact C-N 3.32Å; W35-A37 PolarHBondContact O-N 3.25Å; A37-M41 WeakPolarHBondContact O-CB 3.32Å; A37-M41 PolarHBondContact O-N 3.48Å; A37-G57 VanDerWaalsContact CB-CA 3.46Å
38Y96.2Very high97.7Very high108 Ų10882.4 Ų82.442%0.42439%0.389SS..Hα-helixtrans-63.6-46171.7175.6-104.6000112.3M34 W35 R36 M41 K42M34-Y38 PolarHBondContact O-N 3.29Å; W35-Y38 PolarHBondContact O-N 2.99Å; R36-Y38 VanDerWaalsContact C-N 3.33Å; R36-Y38 PolarHBondContact O-N 3.5Å; Y38-M41 HydrophobicContact CD2-CE 3.55Å; Y38-M41 HydrophobicContact CE2-CE 3.76Å; Y38-M41 WeakPolarHBondContact O-CB 3.43Å; Y38-M41 PolarHBondContact O-N 3.24Å; Y38-K42 HydrophobicContact CD2-CG 4.48Å; Y38-K42 HydrophobicContact CE1-CG 4.13Å; Y38-K42 HydrophobicContact CE2-CD 4.12Å; Y38-K42 HydrophobicContact CE2-CG 4.04Å; Y38-K42 VanDerWaalsContact O-CG 3.32Å; Y38-K42 WeakPolarHBondContact O-CG 3.38Å; Y38-K42 PolarHBondContact O-N 3.48Å; Y38-K42 VanDerWaalsContact O-N 3.08Å
39G98Very high97.8Very high31 Ų3179.5 Ų79.532%0.3237%0.365SS..Hα-helixtrans-58.4-48.517700000112.4W35 R36 M41 K42 D43W35-G39 PolarHBondContact O-N 3.46Å; R36-G39 PolarHBondContact O-N 3.15Å; G39-M41 VanDerWaalsContact C-N 3.33Å; G39-M41 PolarHBondContact O-N 3.04Å; G39-K42 PolarHBondContact O-N 3.27Å; G39-K42 VanDerWaalsContact O-N 3.14Å; G39-D43 WeakPolarHBondContact O-CB 3.27Å; G39-D43 PolarHBondContact O-N 3.16Å
40D98.6Very high97.6Very high39 Ų3977.1 Ų77.121%0.20936%0.36CS..Hα-helixtrans-64.3-36.4178-73.80.2000112.4R36 K42 D43 A44 F53 R56 Y121R36-D40 WeakPolarHBondContact O-CB 3.42Å; R36-D40 PolarHBondContact O-N 3.33Å; D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 2.94Å; D40-D43 PolarHBondContact O-N 3.45Å; D40-A44 WeakPolarHBondContact O-CB 3.37Å; D40-A44 PolarHBondContact O-N 3.09Å; D40-F53 HydrophobicContact CB-CD1 4.13Å; D40-F53 HydrophobicContact CB-CE1 3.59Å; D40-F53 HydrophobicContact CB-CZ 4.35Å; D40-R56 VanDerWaalsContact CB-NH2 3.27Å; D40-R56 VanDerWaalsContact CG-NH2 3.35Å; D40-R56 IonicContact OD2-CZ 3.26Å; D40-R56 VanDerWaalsContact OD2-CZ 3.26Å; D40-R56 IonicContact OD2-NH1 2.94Å; D40-R56 PolarHBondContact OD2-NH1 3.01Å; D40-R56 IonicContact OD2-NH2 3.39Å; D40-R56 PolarHBondContact OD2-NH2 3.45Å; D40-Y121 HydrophobicContact CB-CD1 3.79Å; D40-Y121 HydrophobicContact CB-CE1 4.07Å
41M97.8Very high97.6Very high32 Ų3279.3 Ų79.316%0.15837%0.37CS..Hα-helixtrans-60.3-42.4173.3-178.1-172.96800111.5A37 Y38 G39 N45 F53A37-M41 WeakPolarHBondContact O-CB 3.32Å; A37-M41 PolarHBondContact O-N 3.48Å; Y38-M41 HydrophobicContact CD2-CE 3.55Å; Y38-M41 HydrophobicContact CE2-CE 3.76Å; Y38-M41 WeakPolarHBondContact O-CB 3.43Å; Y38-M41 PolarHBondContact O-N 3.24Å; G39-M41 VanDerWaalsContact C-N 3.33Å; G39-M41 PolarHBondContact O-N 3.04Å; M41-N45 PolarHBondContact O-N 3.18Å; M41-F53 HydrophobicContact CB-CB 3.81Å; M41-F53 HydrophobicContact CB-CD1 4.19Å; M41-F53 HydrophobicContact CB-CD2 3.49Å; M41-F53 VanDerWaalsContact CB-CD2 3.49Å; M41-F53 HydrophobicContact CB-CE2 4.08Å; M41-F53 HydrophobicContact CB-CG 3.56Å; M41-F53 HydrophobicContact CG-CB 4.17Å; M41-F53 HydrophobicContact CG-CD2 3.64Å; M41-F53 HydrophobicContact CG-CE2 4.35Å; M41-F53 HydrophobicContact CG-CG 4.09Å; M41-F53 HydrophobicContact SD-CB 4.42Å
42K97.3Very high97.6Very high130 Ų13078 Ų7857%0.56536%0.357SS*.Hα-helixtrans-71.1-40.8178.5-63.3-68.3-72.3177.40111.6Y38 G39 D40Y38-K42 HydrophobicContact CD2-CG 4.48Å; Y38-K42 HydrophobicContact CE1-CG 4.13Å; Y38-K42 HydrophobicContact CE2-CD 4.12Å; Y38-K42 HydrophobicContact CE2-CG 4.04Å; Y38-K42 VanDerWaalsContact O-CG 3.32Å; Y38-K42 WeakPolarHBondContact O-CG 3.38Å; Y38-K42 PolarHBondContact O-N 3.48Å; Y38-K42 VanDerWaalsContact O-N 3.08Å; G39-K42 PolarHBondContact O-N 3.27Å; G39-K42 VanDerWaalsContact O-N 3.14Å; D40-K42 VanDerWaalsContact C-N 3.3Å; D40-K42 PolarHBondContact O-N 2.94Å
43D98.2Very high97.6Very high98 Ų9869 Ų6952%0.52432%0.323SS..Hα-helixtrans-64.2-44.1175.6-178.257.9000111.7G39 D40 N45 K120 Y121G39-D43 WeakPolarHBondContact O-CB 3.27Å; G39-D43 PolarHBondContact O-N 3.16Å; D40-D43 PolarHBondContact O-N 3.45Å; D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 3.29Å; D43-K120 IonicContact OD2-NZ 3.03Å; D43-K120 PolarHBondContact OD2-NZ 2.92Å; D43-Y121 HydrophobicContact CB-CE1 4.47Å; D43-Y121 WeakPolarHBondContact OD2-CE1 3.41Å; D43-Y121 PolarHBondContact OD2-OH 3.36Å
44A97.9Very high97.6Very high13 Ų1369.7 Ų69.711%0.10733%0.326CS..Hα-helixtrans-65.2-35.1-179.500000112.5D40 W46 F53 L117 Y121D40-A44 WeakPolarHBondContact O-CB 3.37Å; D40-A44 PolarHBondContact O-N 3.09Å; A44-W46 HydrophobicContact CB-CB 4.24Å; A44-W46 PolarHBondContact O-N 3.12Å; A44-F53 HydrophobicContact CB-CE2 4.02Å; A44-F53 HydrophobicContact CB-CZ 3.84Å; A44-L117 HydrophobicContact CB-CD1 4.22Å; A44-Y121 WeakPolarHBondContact CA-OH 3.41Å; A44-Y121 HydrophobicContact CB-CD2 3.93Å; A44-Y121 HydrophobicContact CB-CE1 4.17Å; A44-Y121 HydrophobicContact CB-CE2 3.46Å; A44-Y121 VanDerWaalsContact CB-CE2 3.46Å; A44-Y121 HydrophobicContact CB-CG 4.44Å; A44-Y121 PolarHBondContact N-OH 3.49Å
45N97.5Very high97.6Very high146 Ų14668.6 Ų68.678%0.78132%0.321SS*.  trans41.643-175.7-168.433.5000112.6M41 D43M41-N45 PolarHBondContact O-N 3.18Å; D43-N45 VanDerWaalsContact C-N 3.3Å; D43-N45 PolarHBondContact O-N 3.29Å
46W97.9Very high97.7Very high104 Ų10460.4 Ų60.439%0.39429%0.29SS..  trans-104.1133.1-167.1-161.6-91.5000111.4A44 N48 S49 G116 L117A44-W46 HydrophobicContact CB-CB 4.24Å; A44-W46 PolarHBondContact O-N 3.12Å; W46-N48 PolarHBondContact O-N 3.37Å; W46-S49 WeakPolarHBondContact O-CB 3.16Å; W46-S49 PolarHBondContact O-N 3.46Å; W46-S49 PolarHBondContact O-OG 3.47Å; W46-G116 VanDerWaalsContact CZ2-C 3.49Å; W46-G116 WeakPolarHBondContact CZ2-O 3.41Å; W46-L117 HydrophobicContact CB-CD1 3.6Å; W46-L117 HydrophobicContact CD2-CD1 4.25Å; W46-L117 HydrophobicContact CG-CD1 3.61Å
47K95.8Very high97.7Very high168 Ų16855.2 Ų55.273%0.7327%0.27SS*.THydrogen-bonded Turntrans-60.8137-179.1-169.9175-179.5-179.50110.9S49K47-S49 PolarHBondContact O-N 2.92Å
48N95Very high97.7Very high120 Ų12055 Ų5564%0.64227%0.269SS*.THydrogen-bonded Turntrans57.229.9177.9-53-19000114.4W46W46-N48 PolarHBondContact O-N 3.37Å
49S97.3Very high97.8Very high5 Ų552.7 Ų52.74%0.03526%0.26CS..  trans-102.7-5.7179.367.90000114W46 K47 K51 Y52 F53W46-S49 WeakPolarHBondContact O-CB 3.16Å; W46-S49 PolarHBondContact O-N 3.46Å; W46-S49 PolarHBondContact O-OG 3.47Å; K47-S49 PolarHBondContact O-N 2.92Å; S49-K51 PolarHBondContact O-N 3.49Å; S49-Y52 VanDerWaalsContact O-CB 3.31Å; S49-Y52 WeakPolarHBondContact O-CB 3.24Å; S49-Y52 PolarHBondContact O-N 3.3Å; S49-Y52 VanDerWaalsContact O-N 3.16Å; S49-F53 WeakPolarHBondContact O-CD2 3.22Å; S49-F53 PolarHBondContact O-N 3.26Å; S49-F53 VanDerWaalsContact O-N 3.13Å
50D95.4Very high97.8Very high61 Ų6152.5 Ų52.533%0.32625%0.251SS..Hα-helixtrans-51.7-54.2-179.562.5-38.4000111.6Y52 F53 H54D50-Y52 VanDerWaalsContact C-N 3.26Å; D50-Y52 PolarHBondContact O-N 3.06Å; D50-F53 PolarHBondContact O-N 2.94Å; D50-H54 PolarHBondContact O-CD2 2.96Å; D50-H54 PolarHBondContact O-N 3.38Å
51K97.9Very high97.8Very high45 Ų4550.7 Ų50.720%0.19624%0.242CC..Hα-helixtrans-63.7-31.6-178.2-65.8-170.5-169.9-51.70113S49 A55 A95 D96 A99 F112S49-K51 PolarHBondContact O-N 3.49Å; K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.25Å; K51-A95 HydrophobicContact CD-CB 4.44Å; K51-A95 VanDerWaalsContact CE-CB 3.46Å; K51-A95 PolarHBondContact NZ-O 3.35Å; K51-D96 VanDerWaalsContact NZ-N 3.16Å; K51-D96 IonicContact NZ-OD1 3.23Å; K51-D96 PolarHBondContact NZ-OD1 2.98Å; K51-A99 HydrophobicContact CB-CB 3.92Å; K51-A99 HydrophobicContact CG-CB 4.23Å; K51-F112 HydrophobicContact CB-CB 3.94Å; K51-F112 HydrophobicContact CB-CD1 3.86Å; K51-F112 HydrophobicContact CB-CG 3.96Å; K51-F112 HydrophobicContact CD-CD1 4.44Å
52Y98.5Very high97.9Very high11 Ų1150 Ų504%0.04324%0.242CC..Hα-helixtrans-61.2-50.6171.6171.6-102000111.3S49 D50 H54 A55 R56 P109 R113 L117 Y121S49-Y52 VanDerWaalsContact O-CB 3.31Å; S49-Y52 WeakPolarHBondContact O-CB 3.24Å; S49-Y52 PolarHBondContact O-N 3.3Å; S49-Y52 VanDerWaalsContact O-N 3.16Å; D50-Y52 VanDerWaalsContact C-N 3.26Å; D50-Y52 PolarHBondContact O-N 3.06Å; Y52-H54 VanDerWaalsContact C-N 3.34Å; Y52-H54 PolarHBondContact O-N 2.9Å; Y52-A55 PolarHBondContact O-N 3.38Å; Y52-R56 VanDerWaalsContact O-CB 3.3Å; Y52-R56 WeakPolarHBondContact O-CB 3.44Å; Y52-R56 PolarHBondContact O-N 2.79Å; Y52-R56 WeakPolarHBondContact OH-CD 3.41Å; Y52-P109 HydrophobicContact CD2-CB 4.29Å; Y52-P109 WeakPolarHBondContact CD2-O 3.41Å; Y52-P109 HydrophobicContact CE2-CB 4.07Å; Y52-R113 HydrophobicContact CD2-CB 3.82Å; Y52-R113 HydrophobicContact CD2-CG 4.28Å; Y52-R113 HydrophobicContact CE2-CB 4.15Å; Y52-R113 HydrophobicContact CE2-CG 4.36Å; Y52-R113 PolarHBondContact OH-NH1 2.91Å; Y52-L117 HydrophobicContact CD1-CD2 3.46Å; Y52-L117 VanDerWaalsContact CD1-CD2 3.46Å; Y52-L117 HydrophobicContact CE1-CD2 3.58Å; Y52-L117 HydrophobicContact CG-CD2 4.1Å; Y52-Y121 WeakPolarHBondContact CE1-OXT 3.37Å; Y52-Y121 PolarHBondContact OH-O 3.33Å; Y52-Y121 VanDerWaalsContact OH-O 3.13Å; Y52-Y121 PolarHBondContact OH-OXT 2.99Å
53F98.5Very high97.9Very high5 Ų552 Ų522%0.02225%0.245CC..Hα-helixtrans-69-32.6-179.2-70.1-69.6000112.7D40 M41 A44 S49 D50 G57 L117 Y121D40-F53 HydrophobicContact CB-CD1 4.13Å; D40-F53 HydrophobicContact CB-CE1 3.59Å; D40-F53 HydrophobicContact CB-CZ 4.35Å; M41-F53 HydrophobicContact CB-CB 3.81Å; M41-F53 HydrophobicContact CB-CD1 4.19Å; M41-F53 HydrophobicContact CB-CD2 3.49Å; M41-F53 VanDerWaalsContact CB-CD2 3.49Å; M41-F53 HydrophobicContact CB-CE2 4.08Å; M41-F53 HydrophobicContact CB-CG 3.56Å; M41-F53 HydrophobicContact CG-CB 4.17Å; M41-F53 HydrophobicContact CG-CD2 3.64Å; M41-F53 HydrophobicContact CG-CE2 4.35Å; M41-F53 HydrophobicContact CG-CG 4.09Å; M41-F53 HydrophobicContact SD-CB 4.42Å; A44-F53 HydrophobicContact CB-CE2 4.02Å; A44-F53 HydrophobicContact CB-CZ 3.84Å; S49-F53 WeakPolarHBondContact O-CD2 3.22Å; S49-F53 PolarHBondContact O-N 3.26Å; S49-F53 VanDerWaalsContact O-N 3.13Å; D50-F53 PolarHBondContact O-N 2.94Å; F53-G57 PolarHBondContact O-N 3.23Å; F53-L117 HydrophobicContact CE2-CD1 4.42Å; F53-L117 HydrophobicContact CE2-CD2 4.47Å; F53-L117 HydrophobicContact CZ-CD1 4.42Å; F53-L117 HydrophobicContact CZ-CD2 4.32Å; F53-Y121 HydrophobicContact CE1-CD1 4.32Å; F53-Y121 HydrophobicContact CE1-CG 4.3Å; F53-Y121 HydrophobicContact CZ-CD1 4.28Å; F53-Y121 HydrophobicContact CZ-CG 4.01Å
54H98.3Very high97.9Very high19 Ų1952.1 Ų52.19%0.08824%0.238CC..Hα-helixtrans-57.5-53.3169.2-82.9-67000112.5D50 Y52 N58 R79 D96 A99 N100D50-H54 PolarHBondContact O-CD2 2.96Å; D50-H54 PolarHBondContact O-N 3.38Å; Y52-H54 VanDerWaalsContact C-N 3.34Å; Y52-H54 PolarHBondContact O-N 2.9Å; H54-N58 WeakPolarHBondContact O-CB 3.17Å; H54-N58 PolarHBondContact O-N 2.96Å; H54-N58 PolarHBondContact O-ND2 3.14Å; H54-R79 PolarHBondContact CE1-NH1 3.19Å; H54-R79 PolarHBondContact NE2-NH1 3.21Å; H54-R79 PolarHBondContact NE2-NH2 3.37Å; H54-R79 VanDerWaalsContact NE2-NH2 3.16Å; H54-D96 IonicContact NE2-OD2 3.14Å; H54-A99 HydrophobicContact CB-CB 3.94Å; H54-N100 WeakPolarHBondContact CB-OD1 3.41Å; H54-N100 PolarHBondContact ND1-OD1 2.99Å
55A98.8Very high97.9Very high0 Ų052.5 Ų52.50%024%0.244CC..Hα-helixtrans-64.6-46178.900000111.5K51 Y52 N58 Y59 A99 G103 P109 F112K51-A55 WeakPolarHBondContact O-CB 3.45Å; K51-A55 PolarHBondContact O-N 3.25Å; Y52-A55 PolarHBondContact O-N 3.38Å; A55-N58 PolarHBondContact O-N 2.96Å; A55-Y59 VanDerWaalsContact O-CB 3.22Å; A55-Y59 WeakPolarHBondContact O-CB 3.23Å; A55-Y59 PolarHBondContact O-N 3.38Å; A55-A99 WeakPolarHBondContact CA-O 3.48Å; A55-A99 WeakPolarHBondContact CB-O 3.26Å; A55-G103 WeakPolarHBondContact O-CA 3.45Å; A55-P109 HydrophobicContact CB-CB 4.03Å; A55-F112 HydrophobicContact CB-CD2 3.69Å; A55-F112 HydrophobicContact CB-CE2 4.03Å
56R98.8Very high97.8Very high19 Ų1948.7 Ų48.77%0.07223%0.227CC..Hα-helixtrans-63.7-45.1-177.9-168.7-171.967.8155.311.9112.1D40 Y52 N58 Y59 D60 P109 Y121D40-R56 VanDerWaalsContact CB-NH2 3.27Å; D40-R56 VanDerWaalsContact CG-NH2 3.35Å; D40-R56 IonicContact OD2-CZ 3.26Å; D40-R56 VanDerWaalsContact OD2-CZ 3.26Å; D40-R56 IonicContact OD2-NH1 2.94Å; D40-R56 PolarHBondContact OD2-NH1 3.01Å; D40-R56 IonicContact OD2-NH2 3.39Å; D40-R56 PolarHBondContact OD2-NH2 3.45Å; Y52-R56 VanDerWaalsContact O-CB 3.3Å; Y52-R56 WeakPolarHBondContact O-CB 3.44Å; Y52-R56 PolarHBondContact O-N 2.79Å; Y52-R56 WeakPolarHBondContact OH-CD 3.41Å; R56-N58 PolarHBondContact O-N 2.69Å; R56-Y59 PolarHBondContact O-N 2.99Å; R56-D60 WeakPolarHBondContact O-CB 3.49Å; R56-D60 VanDerWaalsContact O-CG 3.31Å; R56-D60 PolarHBondContact O-N 2.93Å; R56-P109 HydrophobicContact CB-CB 3.91Å; R56-P109 HydrophobicContact CB-CG 4.17Å; R56-P109 HydrophobicContact CG-CG 4.49Å; R56-Y121 WeakPolarHBondContact CD-OXT 3.31Å; R56-Y121 PolarHBondContact NH1-OXT 2.93Å
57G98.7Very high97.7Very high1 Ų143.8 Ų43.81%0.0121%0.208CC..Hα-helixtrans-59.8-46.6176.400000112.2A37 F53 Y59 A61A37-G57 VanDerWaalsContact CB-CA 3.46Å; F53-G57 PolarHBondContact O-N 3.23Å; G57-Y59 PolarHBondContact O-N 3.5Å; G57-A61 VanDerWaalsContact O-CB 3.24Å; G57-A61 WeakPolarHBondContact O-CB 3.34Å; G57-A61 PolarHBondContact O-N 2.9Å
58N98.9Very high97.9Very high0 Ų035.8 Ų35.80%017%0.174CC..Hα-helixtrans-65.6-38.2177.4-86.3-97.2000112.6H54 A55 R56 A62 S76 N100 R104H54-N58 WeakPolarHBondContact O-CB 3.17Å; H54-N58 PolarHBondContact O-N 2.96Å; H54-N58 PolarHBondContact O-ND2 3.14Å; A55-N58 PolarHBondContact O-N 2.96Å; R56-N58 PolarHBondContact O-N 2.69Å; N58-A62 WeakPolarHBondContact O-CB 3.41Å; N58-A62 PolarHBondContact O-N 3.43Å; N58-S76 PolarHBondContact ND2-OG 3.16Å; N58-N100 VanDerWaalsContact CB-O 3.22Å; N58-N100 WeakPolarHBondContact CB-O 3.31Å; N58-N100 VanDerWaalsContact CG-O 3.3Å; N58-N100 PolarHBondContact ND2-OD1 3.46Å; N58-N100 PolarHBondContact OD1-O 3.32Å; N58-R104 HydrophobicContact CB-CB 4.02Å; N58-R104 PolarHBondContact OD1-NE 3.12Å; N58-R104 PolarHBondContact OD1-NH2 2.99Å
59Y98.8Very high98Very high60 Ų6035.1 Ų35.124%0.23516%0.162CC..Hα-helixtrans-63.8-51177179.1-96.7000111.6A55 R56 G57 A61 A62 R63 G103 G107 P109A55-Y59 VanDerWaalsContact O-CB 3.22Å; A55-Y59 WeakPolarHBondContact O-CB 3.23Å; A55-Y59 PolarHBondContact O-N 3.38Å; R56-Y59 PolarHBondContact O-N 2.99Å; G57-Y59 PolarHBondContact O-N 3.5Å; Y59-A61 PolarHBondContact O-N 3.18Å; Y59-A62 PolarHBondContact O-N 3.44Å; Y59-R63 VanDerWaalsContact CE1-NH1 3.32Å; Y59-R63 VanDerWaalsContact O-CG 3.23Å; Y59-R63 WeakPolarHBondContact O-CG 3.33Å; Y59-R63 PolarHBondContact O-N 3.19Å; Y59-R63 VanDerWaalsContact O-N 3.12Å; Y59-G103 VanDerWaalsContact CA-O 3.24Å; Y59-G103 WeakPolarHBondContact CA-O 3.08Å; Y59-G107 WeakPolarHBondContact CD2-O 3.28Å; Y59-P109 HydrophobicContact CD1-CG 4.12Å; Y59-P109 HydrophobicContact CD2-CG 4.38Å; Y59-P109 HydrophobicContact CG-CG 3.85Å
60D98.8Very high98.1Very high27 Ų2741.5 Ų41.514%0.14419%0.185CC..Hα-helixtrans-61.4-45.8178.9-71.1-21.4000111.6D33 R36 R56 R63D33-D60 HydrophobicContact CB-CB 3.84Å; R36-D60 IonicContact CZ-OD2 3.79Å; R36-D60 IonicContact NH2-OD2 2.69Å; R36-D60 PolarHBondContact NH2-OD2 3.47Å; R56-D60 WeakPolarHBondContact O-CB 3.49Å; R56-D60 VanDerWaalsContact O-CG 3.31Å; R56-D60 PolarHBondContact O-N 2.93Å; D60-R63 PolarHBondContact O-N 3.5Å
61A98.8Very high98.2Very high0 Ų038.8 Ų38.80%017%0.171CC..Hα-helixtrans-65.5-45.4179.700000112.2G30 D33 M34 G57 Y59 R63 R64 G68 A72G30-A61 WeakPolarHBondContact O-CB 3.24Å; D33-A61 HydrophobicContact CB-CB 4.28Å; M34-A61 HydrophobicContact CG-CB 4.09Å; M34-A61 HydrophobicContact SD-CB 4.26Å; G57-A61 VanDerWaalsContact O-CB 3.24Å; G57-A61 WeakPolarHBondContact O-CB 3.34Å; G57-A61 PolarHBondContact O-N 2.9Å; Y59-A61 PolarHBondContact O-N 3.18Å; A61-R63 PolarHBondContact O-N 3.32Å; A61-R64 VanDerWaalsContact O-CB 3.31Å; A61-R64 WeakPolarHBondContact O-CB 3.43Å; A61-R64 WeakPolarHBondContact O-CG 3.5Å; A61-R64 PolarHBondContact O-N 2.93Å; A61-G68 CarbonylContact O-C 3.29Å; A61-G68 VanDerWaalsContact O-C 3.29Å; A61-G68 VanDerWaalsContact O-CA 3.23Å; A61-G68 WeakPolarHBondContact O-CA 3.49Å; A61-A72 HydrophobicContact CB-CB 3.81Å
62A98.6Very high98.2Very high19 Ų1936.6 Ų36.616%0.15716%0.162CC..Hα-helixtrans-63.4-30.7178.900000112.6N58 Y59 R64 G65 R69 R104N58-A62 WeakPolarHBondContact O-CB 3.41Å; N58-A62 PolarHBondContact O-N 3.43Å; Y59-A62 PolarHBondContact O-N 3.44Å; A62-R64 PolarHBondContact O-N 3.03Å; A62-G65 PolarHBondContact O-N 2.97Å; A62-R69 HydrophobicContact CB-CB 4.39Å; A62-R104 HydrophobicContact CB-CG 4.12Å; A62-R104 WeakPolarHBondContact CB-O 3.14Å
63R98.4Very high98.1Very high170 Ų17038 Ų3864%0.64217%0.172SC*.THydrogen-bonded Turntrans-69-10.8175-73.2174.770.7-170.87.9114.1Y59 D60 A61 G65Y59-R63 VanDerWaalsContact CE1-NH1 3.32Å; Y59-R63 VanDerWaalsContact O-CG 3.23Å; Y59-R63 WeakPolarHBondContact O-CG 3.33Å; Y59-R63 PolarHBondContact O-N 3.19Å; Y59-R63 VanDerWaalsContact O-N 3.12Å; D60-R63 PolarHBondContact O-N 3.5Å; A61-R63 PolarHBondContact O-N 3.32Å; R63-G65 VanDerWaalsContact C-N 3.26Å
64R97.9Very high98Very high101 Ų10141.2 Ų41.238%0.38119%0.192SC..THydrogen-bonded Turntrans-73.7-19.9172.3-55.6-55-173.11710.1112.7E26 R29 D33 A61 A62E26-R64 HydrophobicContact CB-CB 4.42Å; E26-R64 WeakPolarHBondContact CG-O 3.27Å; R29-R64 HydrophobicContact CB-CG 3.97Å; D33-R64 IonicContact OD1-CZ 2.68Å; D33-R64 IonicContact OD1-NE 3.84Å; D33-R64 IonicContact OD1-NH2 2.91Å; D33-R64 PolarHBondContact OD1-NH2 3.26Å; D33-R64 WeakPolarHBondContact OD2-CG 3.42Å; D33-R64 IonicContact OD2-CZ 2.8Å; D33-R64 IonicContact OD2-NE 2.79Å; D33-R64 PolarHBondContact OD2-NE 3.33Å; D33-R64 IonicContact OD2-NH2 3.51Å; D33-R64 PolarHBondContact OD2-NH2 3.46Å; A61-R64 VanDerWaalsContact O-CB 3.31Å; A61-R64 WeakPolarHBondContact O-CB 3.43Å; A61-R64 WeakPolarHBondContact O-CG 3.5Å; A61-R64 PolarHBondContact O-N 2.93Å; A62-R64 PolarHBondContact O-N 3.03Å
65G96.8Very high97.7Very high21 Ų2143.7 Ų43.722%0.21621%0.205CC..  trans120.4-172.5-17600000112.5A62 R63 G67 G68 R69A62-G65 PolarHBondContact O-N 2.97Å; R63-G65 VanDerWaalsContact C-N 3.26Å; G65-G67 VanDerWaalsContact C-N 3.26Å; G65-G67 PolarHBondContact O-N 3.24Å; G65-G68 PolarHBondContact O-N 2.75Å; G65-R69 PolarHBondContact O-N 3.47Å
66P96.1Very high97.5Very high67 Ų6743.9 Ų43.944%0.43521%0.206SC..Hα-helixtrans-51.6-40.3-179.2-28.835.6000114.1F23 E26 R69 W70F23-P66 HydrophobicContact CD2-CB 4.35Å; E26-P66 VanDerWaalsContact OE2-CD 3.27Å; E26-P66 WeakPolarHBondContact OE2-CD 3.46Å; P66-R69 PolarHBondContact O-N 3.05Å; P66-W70 WeakPolarHBondContact O-CB 3.49Å; P66-W70 PolarHBondContact O-N 3.34Å
67G96.4Very high97.1Very high0 Ų046.3 Ų46.30%022%0.22CC..Hα-helixtrans-65.8-39.3178.100000113F23 E26 A27 G65 W70 A71F23-G67 VanDerWaalsContact CD2-CA 3.47Å; F23-G67 VanDerWaalsContact CE2-CA 3.44Å; E26-G67 PolarHBondContact OE2-N 2.93Å; E26-G67 VanDerWaalsContact OE2-N 3.15Å; A27-G67 VanDerWaalsContact CA-C 3.5Å; A27-G67 VanDerWaalsContact CA-O 3.29Å; A27-G67 WeakPolarHBondContact CA-O 3.23Å; A27-G67 WeakPolarHBondContact CB-O 3.36Å; G65-G67 VanDerWaalsContact C-N 3.26Å; G65-G67 PolarHBondContact O-N 3.24Å; G67-W70 WeakPolarHBondContact O-CB 3.31Å; G67-W70 PolarHBondContact O-N 2.82Å; G67-A71 PolarHBondContact O-N 3.11Å
68G98.4Very high96.5Very high0 Ų047.8 Ų47.80%024%0.236CC..Hα-helixtrans-70.6-36.9177.300000112.9E26 A61 G65 W70 A71 A72E26-G68 WeakPolarHBondContact O-CA 3.4Å; E26-G68 PolarHBondContact O-N 3.31Å; A61-G68 CarbonylContact O-C 3.29Å; A61-G68 VanDerWaalsContact O-C 3.29Å; A61-G68 VanDerWaalsContact O-CA 3.23Å; A61-G68 WeakPolarHBondContact O-CA 3.49Å; G65-G68 PolarHBondContact O-N 2.75Å; G68-W70 VanDerWaalsContact C-N 3.33Å; G68-A71 PolarHBondContact O-N 3.48Å; G68-A72 WeakPolarHBondContact O-CB 3.45Å; G68-A72 PolarHBondContact O-N 3.21Å
69R98.5Very high95.8Very high106 Ų10651 Ų5140%0.425%0.248SC..Hα-helixtrans-61.9-41171.3-174-178.3-176.189.43.7111.9A62 G65 P66 T73 R104 N105A62-R69 HydrophobicContact CB-CB 4.39Å; G65-R69 PolarHBondContact O-N 3.47Å; P66-R69 PolarHBondContact O-N 3.05Å; R69-T73 PolarHBondContact O-N 3Å; R69-T73 VanDerWaalsContact O-N 3.11Å; R69-T73 PolarHBondContact O-OG1 3.15Å; R69-R104 HydrophobicContact CG-CG 3.95Å; R69-R104 PolarHBondContact NH1-O 2.66Å; R69-N105 PolarHBondContact NH2-OD1 3.27Å
70W97.9Very high95.1Very high139 Ų13951.4 Ų51.453%0.52725%0.252SS..Hα-helixtrans-61.9-50.1173.8172.585.6000111.1F23 A27 P66 G67 G68 A72 T73 V74F23-W70 HydrophobicContact CE1-CD2 4.38Å; F23-W70 HydrophobicContact CE1-CE3 4.31Å; F23-W70 HydrophobicContact CE2-CB 4.14Å; F23-W70 HydrophobicContact CZ-CB 3.77Å; F23-W70 AromaticContact CZ-CD2 3.96Å; F23-W70 HydrophobicContact CZ-CD2 3.96Å; F23-W70 HydrophobicContact CZ-CE3 4.25Å; F23-W70 AromaticContact CZ-CG 3.74Å; F23-W70 HydrophobicContact CZ-CG 3.74Å; A27-W70 HydrophobicContact CB-CE3 3.96Å; A27-W70 HydrophobicContact CB-CZ3 4.12Å; P66-W70 WeakPolarHBondContact O-CB 3.49Å; P66-W70 PolarHBondContact O-N 3.34Å; G67-W70 WeakPolarHBondContact O-CB 3.31Å; G67-W70 PolarHBondContact O-N 2.82Å; G68-W70 VanDerWaalsContact C-N 3.33Å; W70-A72 VanDerWaalsContact C-N 3.34Å; W70-A72 PolarHBondContact O-N 2.86Å; W70-T73 WeakPolarHBondContact O-CB 3.44Å; W70-T73 PolarHBondContact O-N 3.19Å; W70-V74 HydrophobicContact CD2-CG2 4.21Å; W70-V74 HydrophobicContact CZ2-CG2 3.88Å; W70-V74 PolarHBondContact O-N 3.23Å
71A97.6Very high94Very high4 Ų456.5 Ų56.53%0.03328%0.277CS..Hα-helixtrans-58.6-44.6178.500000112.1A27 G67 G68 T73 V74 I75A27-A71 HydrophobicContact CB-CB 4.36Å; A27-A71 WeakPolarHBondContact O-CB 3.29Å; G67-A71 PolarHBondContact O-N 3.11Å; G68-A71 PolarHBondContact O-N 3.48Å; A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 3.25Å; A71-V74 PolarHBondContact O-N 3.42Å; A71-I75 WeakPolarHBondContact O-CB 3.41Å; A71-I75 VanDerWaalsContact O-CG1 3.23Å; A71-I75 WeakPolarHBondContact O-CG1 3.29Å; A71-I75 PolarHBondContact O-N 2.85Å
72A98.4Very high92.9Very high0 Ų061.1 Ų61.10%031%0.305CS..Hα-helixtrans-58.2-39.6175.500000112.6M34 A61 G68 W70 S76M34-A72 HydrophobicContact SD-CB 4.02Å; A61-A72 HydrophobicContact CB-CB 3.81Å; G68-A72 WeakPolarHBondContact O-CB 3.45Å; G68-A72 PolarHBondContact O-N 3.21Å; W70-A72 VanDerWaalsContact C-N 3.34Å; W70-A72 PolarHBondContact O-N 2.86Å; A72-S76 VanDerWaalsContact O-CB 3.23Å; A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 3.06Å; A72-S76 PolarHBondContact O-OG 3.35Å
73T97.2Very high91.9Very high41 Ų4160.9 Ų60.925%0.25230%0.3SS..Hα-helixtrans-65.4-56178.4-56.30000111.1R69 W70 A71 I75 S76 D77 R104R69-T73 PolarHBondContact O-N 3Å; R69-T73 VanDerWaalsContact O-N 3.11Å; R69-T73 PolarHBondContact O-OG1 3.15Å; W70-T73 WeakPolarHBondContact O-CB 3.44Å; W70-T73 PolarHBondContact O-N 3.19Å; A71-T73 VanDerWaalsContact C-N 3.27Å; A71-T73 PolarHBondContact O-N 3.25Å; T73-I75 VanDerWaalsContact C-N 3.31Å; T73-I75 PolarHBondContact O-N 2.97Å; T73-S76 PolarHBondContact O-N 3.39Å; T73-D77 VanDerWaalsContact O-CG 3.27Å; T73-D77 PolarHBondContact O-N 3.39Å; T73-R104 WeakPolarHBondContact OG1-CD 3.19Å; T73-R104 PolarHBondContact OG1-NH1 3.41Å
74V94.9Very high90.6Very high72 Ų7254.9 Ų54.944%0.43629%0.291SS..Hα-helixtrans-58.6-42.7-178174.10000111.7W70 A71 G78W70-V74 HydrophobicContact CD2-CG2 4.21Å; W70-V74 HydrophobicContact CZ2-CG2 3.88Å; W70-V74 PolarHBondContact O-N 3.23Å; A71-V74 PolarHBondContact O-N 3.42Å; V74-G78 PolarHBondContact O-N 3.15Å
75I93.4Very high89.3Confident70 Ų7055.1 Ų55.136%0.35931%0.308SS..Hα-helixtrans-71-39.7-178.8-64.7170.5000111.3A31 M34 A71 T73 R79A31-I75 HydrophobicContact CB-CD1 3.9Å; M34-I75 HydrophobicContact CB-CD1 4.02Å; M34-I75 HydrophobicContact CB-CG2 4.26Å; M34-I75 HydrophobicContact CE-CB 4.11Å; M34-I75 HydrophobicContact CE-CG2 3.9Å; M34-I75 HydrophobicContact CG-CD1 4.14Å; A71-I75 WeakPolarHBondContact O-CB 3.41Å; A71-I75 VanDerWaalsContact O-CG1 3.23Å; A71-I75 WeakPolarHBondContact O-CG1 3.29Å; A71-I75 PolarHBondContact O-N 2.85Å; T73-I75 VanDerWaalsContact C-N 3.31Å; T73-I75 PolarHBondContact O-N 2.97Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 3.06Å
76S94.3Very high88.2Confident4 Ų457.8 Ų57.83%0.02832%0.324CS..Hα-helixtrans-60.9-48.5175-83.60000111.8N58 A72 T73 R79 E80 N100N58-S76 PolarHBondContact ND2-OG 3.16Å; A72-S76 VanDerWaalsContact O-CB 3.23Å; A72-S76 WeakPolarHBondContact O-CB 3.41Å; A72-S76 PolarHBondContact O-N 3.06Å; A72-S76 PolarHBondContact O-OG 3.35Å; T73-S76 PolarHBondContact O-N 3.39Å; S76-R79 PolarHBondContact O-N 3.46Å; S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.08Å; S76-N100 WeakPolarHBondContact CB-ND2 3.31Å; S76-N100 PolarHBondContact OG-ND2 3.02Å; S76-N100 PolarHBondContact OG-OD1 3.01Å
77D89.7Confident86.8Confident70 Ų7058 Ų5837%0.37434%0.338SS..Hα-helixtrans-70.1-38.9-177.2-60.3-15000111.1T73 R79 E80 M81 Q97T73-D77 VanDerWaalsContact O-CG 3.27Å; T73-D77 PolarHBondContact O-N 3.39Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 2.96Å; D77-E80 PolarHBondContact O-N 3.43Å; D77-M81 PolarHBondContact O-N 3.34Å; D77-Q97 PolarHBondContact OD1-NE2 3.4Å
78G86.1Confident85.5Confident33 Ų3364.3 Ų64.334%0.3436%0.362SS..Hα-helixtrans-61.2-39.2173.100000112.9V74 M81 V82V74-G78 PolarHBondContact O-N 3.15Å; G78-M81 PolarHBondContact O-N 2.91Å; G78-V82 WeakPolarHBondContact O-CG2 3.23Å; G78-V82 PolarHBondContact O-N 3.01Å
79R84.9Confident84Confident67 Ų6766.3 Ų66.325%0.25338%0.382SS..Hα-helixtrans-64.6-44.2174.6-174.1-174.4179.3-10320.3111.3H54 I75 S76 D77 M81 V82 Q83 D96H54-R79 PolarHBondContact CE1-NH1 3.19Å; H54-R79 PolarHBondContact NE2-NH1 3.21Å; H54-R79 PolarHBondContact NE2-NH2 3.37Å; H54-R79 VanDerWaalsContact NE2-NH2 3.16Å; I75-R79 WeakPolarHBondContact O-CB 3.38Å; I75-R79 PolarHBondContact O-N 3.06Å; S76-R79 PolarHBondContact O-N 3.46Å; D77-R79 VanDerWaalsContact C-N 3.33Å; D77-R79 PolarHBondContact O-N 2.96Å; R79-M81 VanDerWaalsContact C-N 3.33Å; R79-M81 PolarHBondContact O-N 3.18Å; R79-V82 PolarHBondContact O-N 3.47Å; R79-Q83 HydrophobicContact CG-CG 4.35Å; R79-Q83 WeakPolarHBondContact O-CB 3.33Å; R79-Q83 VanDerWaalsContact O-CG 3.28Å; R79-Q83 WeakPolarHBondContact O-CG 3.23Å; R79-Q83 PolarHBondContact O-N 2.86Å; R79-D96 IonicContact NH1-OD2 3.8Å; R79-D96 PolarHBondContact NH1-OD2 2.68Å; R79-D96 VanDerWaalsContact NH1-OD2 3.14Å
80E83.3Confident82.3Confident68 Ų6869.1 Ų69.132%0.31840%0.399SS..Hα-helixtrans-59.3-44.4177.7-177.4179-16300111.4S76 D77 V82 Q83 G84 Q97S76-E80 PolarHBondContact O-N 3.38Å; S76-E80 VanDerWaalsContact O-N 3.08Å; D77-E80 PolarHBondContact O-N 3.43Å; E80-V82 PolarHBondContact O-N 2.83Å; E80-Q83 PolarHBondContact O-N 3.2Å; E80-Q83 VanDerWaalsContact O-N 3.13Å; E80-G84 PolarHBondContact O-N 3.22Å; E80-Q97 WeakPolarHBondContact OE2-CG 3.43Å; E80-Q97 PolarHBondContact OE2-NE2 3.24Å
81M75.9Confident80.4Confident135 Ų13570.6 Ų70.667%0.66541%0.412SS*.Hα-helixtrans-56.6-48.9177.7-172.9-175.176.600111.6D77 G78 R79 Q83 G84 S85D77-M81 PolarHBondContact O-N 3.34Å; G78-M81 PolarHBondContact O-N 2.91Å; R79-M81 VanDerWaalsContact C-N 3.33Å; R79-M81 PolarHBondContact O-N 3.18Å; M81-Q83 VanDerWaalsContact C-N 3.3Å; M81-Q83 PolarHBondContact O-N 3.04Å; M81-G84 PolarHBondContact O-N 3.01Å; M81-S85 PolarHBondContact O-N 3.1Å; M81-S85 VanDerWaalsContact O-N 3.16Å; M81-S85 PolarHBondContact O-OG 3.37Å; M81-S85 VanDerWaalsContact O-OG 3.12Å
82V75.9Confident79.3Confident96 Ų9674.8 Ų74.858%0.58243%0.434SS*.Hα-helixtrans-63.1-38.4178.1173.90000111.4G78 R79 E80 S86G78-V82 WeakPolarHBondContact O-CG2 3.23Å; G78-V82 PolarHBondContact O-N 3.01Å; R79-V82 PolarHBondContact O-N 3.47Å; E80-V82 PolarHBondContact O-N 2.83Å; V82-S86 PolarHBondContact O-N 3.44Å
83Q76.9Confident78.5Confident14 Ų1475.3 Ų75.37%0.06544%0.438CS..Hα-helixtrans-71.9-41-179.7-74.2-177.9-56.300113.4R79 E80 M81 S85 S86 R88R79-Q83 HydrophobicContact CG-CG 4.35Å; R79-Q83 WeakPolarHBondContact O-CB 3.33Å; R79-Q83 VanDerWaalsContact O-CG 3.28Å; R79-Q83 WeakPolarHBondContact O-CG 3.23Å; R79-Q83 PolarHBondContact O-N 2.86Å; E80-Q83 PolarHBondContact O-N 3.2Å; E80-Q83 VanDerWaalsContact O-N 3.13Å; M81-Q83 VanDerWaalsContact C-N 3.3Å; M81-Q83 PolarHBondContact O-N 3.04Å; Q83-S85 VanDerWaalsContact C-N 3.3Å; Q83-S85 PolarHBondContact O-N 3.46Å; Q83-S86 WeakPolarHBondContact CA-OG 3.44Å; Q83-S86 PolarHBondContact O-N 3.08Å; Q83-S86 PolarHBondContact O-OG 3.31Å; Q83-R88 VanDerWaalsContact NE2-CZ 3.35Å; Q83-R88 PolarHBondContact O-N 2.91Å
84G72.5Confident78Confident44 Ų4475.8 Ų75.845%0.45445%0.446SS..Hα-helixtrans-60.8-41174.600000111.5E80 M81 S86 G87E80-G84 PolarHBondContact O-N 3.22Å; M81-G84 PolarHBondContact O-N 3.01Å; G84-S86 PolarHBondContact O-N 3.49Å; G84-G87 PolarHBondContact O-N 3.42Å
85S70.5Confident77.9Confident106 Ų10673.7 Ų73.774%0.74144%0.436SS*.Hα-helixtrans-66.4-18.9173.8-570000114.1M81 Q83M81-S85 PolarHBondContact O-N 3.1Å; M81-S85 VanDerWaalsContact O-N 3.16Å; M81-S85 PolarHBondContact O-OG 3.37Å; M81-S85 VanDerWaalsContact O-OG 3.12Å; Q83-S85 VanDerWaalsContact C-N 3.3Å; Q83-S85 PolarHBondContact O-N 3.46Å
86S72.8Confident77.8Confident78 Ų7871 Ų7155%0.54542%0.422SS..THydrogen-bonded Turntrans-89.73.8178.470.70000114.5V82 Q83 G84V82-S86 PolarHBondContact O-N 3.44Å; Q83-S86 WeakPolarHBondContact CA-OG 3.44Å; Q83-S86 PolarHBondContact O-N 3.08Å; Q83-S86 PolarHBondContact O-OG 3.31Å; G84-S86 PolarHBondContact O-N 3.49Å
87G68.2Low77.8Confident70 Ų7071.5 Ų71.572%0.72242%0.424SS*.THydrogen-bonded Turntrans841817700000115.2G84G84-G87 PolarHBondContact O-N 3.42Å
88R68.5Low78.1Confident134 Ų13472 Ų7251%0.50642%0.424SS..  trans-67.2144.7168.4-84.9-168.6166.6102.8-5.6111Q83Q83-R88 VanDerWaalsContact NE2-CZ 3.35Å; Q83-R88 PolarHBondContact O-N 2.91Å
89G66.7Low78.7Confident41 Ų4170.4 Ų70.442%0.42341%0.408SS..  trans-68.9152.9-179.400000113.6E91 D92 S93G89-E91 VanDerWaalsContact C-N 3.33Å; G89-E91 PolarHBondContact O-N 3.05Å; G89-D92 PolarHBondContact O-N 3.25Å; G89-S93 PolarHBondContact O-N 2.94Å
90H62.6Low79.3Confident165 Ų16567.4 Ų67.476%0.76440%0.397SS*.Hα-helixtrans-64.6-32.8-176.9-168.6-44.2000113.2S93 A94H90-S93 PolarHBondContact O-N 3.41Å; H90-A94 PolarHBondContact O-N 3.46Å
91E59Low80.1Confident170 Ų17070 Ų7079%0.79440%0.404SS*.Hα-helixtrans-66.8-39.4179.5-65.5-177.2172.600112G89 S93 A94 A95G89-E91 VanDerWaalsContact C-N 3.33Å; G89-E91 PolarHBondContact O-N 3.05Å; E91-S93 VanDerWaalsContact C-N 3.34Å; E91-S93 PolarHBondContact O-N 3.49Å; E91-A94 PolarHBondContact O-N 2.83Å; E91-A95 PolarHBondContact O-N 2.92Å; E91-A95 VanDerWaalsContact O-N 3.09Å
92D73.8Confident81.2Confident92 Ų9267.7 Ų67.749%0.49239%0.388SS..Hα-helixtrans-61.6-43.7175.3-73.5-19.7000110.8G89 A95 D96G89-D92 PolarHBondContact O-N 3.25Å; D92-A95 PolarHBondContact O-N 2.97Å; D92-D96 WeakPolarHBondContact O-CB 3.45Å; D92-D96 PolarHBondContact O-N 3.43Å
93S81.2Confident82.2Confident12 Ų1263.1 Ų63.18%0.08436%0.36CS..Hα-helixtrans-62.1-43.3176.4-61.60000112.6G89 H90 E91 A95 D96 Q97G89-S93 PolarHBondContact O-N 2.94Å; H90-S93 PolarHBondContact O-N 3.41Å; E91-S93 VanDerWaalsContact C-N 3.34Å; E91-S93 PolarHBondContact O-N 3.49Å; S93-A95 PolarHBondContact O-N 3.41Å; S93-D96 PolarHBondContact O-N 2.97Å; S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 WeakPolarHBondContact O-CG 3.45Å; S93-Q97 PolarHBondContact O-N 3.48Å
94A87.4Confident83.3Confident50 Ų5063.5 Ų63.541%0.41336%0.361SS..Hα-helixtrans-63.6-43.6-18000000111.9H90 E91 Q97 E98H90-A94 PolarHBondContact O-N 3.46Å; E91-A94 PolarHBondContact O-N 2.83Å; A94-Q97 PolarHBondContact O-N 3.49Å; A94-E98 PolarHBondContact O-N 3.4Å
95A91.4Very high84.5Confident29 Ų2966.6 Ų66.624%0.2437%0.367CS..Hα-helixtrans-72.7-32.9-179.900000112.1K51 E91 D92 S93 Q97 E98 A99K51-A95 HydrophobicContact CD-CB 4.44Å; K51-A95 VanDerWaalsContact CE-CB 3.46Å; K51-A95 PolarHBondContact NZ-O 3.35Å; E91-A95 PolarHBondContact O-N 2.92Å; E91-A95 VanDerWaalsContact O-N 3.09Å; D92-A95 PolarHBondContact O-N 2.97Å; S93-A95 PolarHBondContact O-N 3.41Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; A95-E98 PolarHBondContact O-N 3.17Å; A95-A99 PolarHBondContact O-N 3.31Å; A95-A99 VanDerWaalsContact O-N 3.16Å
96D91.8Very high85.8Confident13 Ų1363.9 Ų63.97%0.0736%0.356CS..Hα-helixtrans-64.3-41.2171.3-81.86.8000110.9K51 H54 R79 D92 S93 A99 N100K51-D96 VanDerWaalsContact NZ-N 3.16Å; K51-D96 IonicContact NZ-OD1 3.23Å; K51-D96 PolarHBondContact NZ-OD1 2.98Å; H54-D96 IonicContact NE2-OD2 3.14Å; R79-D96 IonicContact NH1-OD2 3.8Å; R79-D96 PolarHBondContact NH1-OD2 2.68Å; R79-D96 VanDerWaalsContact NH1-OD2 3.14Å; D92-D96 WeakPolarHBondContact O-CB 3.45Å; D92-D96 PolarHBondContact O-N 3.43Å; S93-D96 PolarHBondContact O-N 2.97Å; D96-A99 PolarHBondContact O-N 3.38Å; D96-N100 PolarHBondContact O-N 2.95Å; D96-N100 PolarHBondContact O-ND2 3.36Å
97Q94Very high87.1Confident15 Ų1560.8 Ų60.87%0.0734%0.337CS..Hα-helixtrans-68.6-32.9176.5-78.5-69.520.400113.1D77 E80 S93 A94 A95 N100 R101D77-Q97 PolarHBondContact OD1-NE2 3.4Å; E80-Q97 WeakPolarHBondContact OE2-CG 3.43Å; E80-Q97 PolarHBondContact OE2-NE2 3.24Å; S93-Q97 WeakPolarHBondContact O-CB 3.44Å; S93-Q97 WeakPolarHBondContact O-CG 3.45Å; S93-Q97 PolarHBondContact O-N 3.48Å; A94-Q97 PolarHBondContact O-N 3.49Å; A95-Q97 VanDerWaalsContact C-N 3.33Å; Q97-N100 PolarHBondContact OE1-ND2 2.94Å; Q97-R101 WeakPolarHBondContact O-CB 3.49Å; Q97-R101 WeakPolarHBondContact O-CG 3.48Å; Q97-R101 PolarHBondContact O-N 3.48Å; Q97-R101 PolarHBondContact O-NE 3.43Å
98E97.3Very high88.5Confident79 Ų7961.6 Ų61.637%0.36933%0.325SS..Hα-helixtrans-59.3-50.1169.1-170.1-163.3159.500111A94 A95 N100 R101 W102 R111A94-E98 PolarHBondContact O-N 3.4Å; A95-E98 PolarHBondContact O-N 3.17Å; E98-N100 PolarHBondContact O-N 2.92Å; E98-R101 PolarHBondContact O-N 3.25Å; E98-W102 WeakPolarHBondContact O-CB 3.39Å; E98-W102 PolarHBondContact O-N 3.47Å; E98-R111 IonicContact OE1-CZ 3.74Å; E98-R111 IonicContact OE1-NH1 2.66Å; E98-R111 IonicContact OE1-NH2 3.68Å; E98-R111 PolarHBondContact OE1-NH2 3.48Å
99A98.1Very high89.9Confident0 Ų055.6 Ų55.60%030%0.303CS..Hα-helixtrans-62.1-43.4-179.900000112.1K51 H54 A55 A95 D96 R101 W102 G103 F112K51-A99 HydrophobicContact CB-CB 3.92Å; K51-A99 HydrophobicContact CG-CB 4.23Å; H54-A99 HydrophobicContact CB-CB 3.94Å; A55-A99 WeakPolarHBondContact CA-O 3.48Å; A55-A99 WeakPolarHBondContact CB-O 3.26Å; A95-A99 PolarHBondContact O-N 3.31Å; A95-A99 VanDerWaalsContact O-N 3.16Å; D96-A99 PolarHBondContact O-N 3.38Å; A99-R101 PolarHBondContact O-N 3.33Å; A99-W102 PolarHBondContact O-N 3.16Å; A99-G103 PolarHBondContact O-N 3.48Å; A99-G103 VanDerWaalsContact O-N 3.15Å; A99-F112 HydrophobicContact CB-CD2 4.33Å; A99-F112 HydrophobicContact CB-CE1 4.43Å; A99-F112 HydrophobicContact CB-CE2 3.99Å; A99-F112 HydrophobicContact CB-CZ 4.05Å
100N98.3Very high91.5Very high4 Ų457.4 Ų57.42%0.02130%0.303CS..Hα-helixtrans-55.5-52.4173.8-69-32.6000110.9H54 N58 S76 D96 Q97 E98 G103 R104H54-N100 WeakPolarHBondContact CB-OD1 3.41Å; H54-N100 PolarHBondContact ND1-OD1 2.99Å; N58-N100 VanDerWaalsContact CB-O 3.22Å; N58-N100 WeakPolarHBondContact CB-O 3.31Å; N58-N100 VanDerWaalsContact CG-O 3.3Å; N58-N100 PolarHBondContact ND2-OD1 3.46Å; N58-N100 PolarHBondContact OD1-O 3.32Å; S76-N100 WeakPolarHBondContact CB-ND2 3.31Å; S76-N100 PolarHBondContact OG-ND2 3.02Å; S76-N100 PolarHBondContact OG-OD1 3.01Å; D96-N100 PolarHBondContact O-N 2.95Å; D96-N100 PolarHBondContact O-ND2 3.36Å; Q97-N100 PolarHBondContact OE1-ND2 2.94Å; E98-N100 PolarHBondContact O-N 2.92Å; N100-G103 PolarHBondContact O-N 2.81Å; N100-R104 VanDerWaalsContact O-CB 3.26Å; N100-R104 WeakPolarHBondContact O-CB 3.42Å; N100-R104 PolarHBondContact O-N 3.03Å
101R98.6Very high93.2Very high122 Ų12255.8 Ų55.846%0.4629%0.29SS..Hα-helixtrans-63.9-41.5-179-74.6-174.5-66.1-97.8-1.4112.5Q97 E98 A99 R104 N105Q97-R101 WeakPolarHBondContact O-CB 3.49Å; Q97-R101 WeakPolarHBondContact O-CG 3.48Å; Q97-R101 PolarHBondContact O-N 3.48Å; Q97-R101 PolarHBondContact O-NE 3.43Å; E98-R101 PolarHBondContact O-N 3.25Å; A99-R101 PolarHBondContact O-N 3.33Å; R101-R104 PolarHBondContact O-N 2.98Å; R101-N105 VanDerWaalsContact O-CB 3.27Å; R101-N105 WeakPolarHBondContact O-CB 3.43Å; R101-N105 PolarHBondContact O-N 3.13Å; R101-N105 PolarHBondContact O-ND2 3.25Å
102W98.8Very high95Very high87 Ų8749.4 Ų49.433%0.3326%0.259SS..Hα-helixtrans-55.2-54.6177.8175.1-96.7000111.3E98 A99 N105 G106 G107 D108 R111 F112E98-W102 WeakPolarHBondContact O-CB 3.39Å; E98-W102 PolarHBondContact O-N 3.47Å; A99-W102 PolarHBondContact O-N 3.16Å; W102-N105 PolarHBondContact O-N 3.4Å; W102-G106 PolarHBondContact O-N 3.29Å; W102-G107 VanDerWaalsContact NE1-C 3.27Å; W102-G107 WeakPolarHBondContact O-CA 3.46Å; W102-G107 PolarHBondContact O-N 3.39Å; W102-D108 PolarHBondContact NE1-O 3.26Å; W102-R111 HydrophobicContact CZ2-CB 4.27Å; W102-R111 HydrophobicContact CZ2-CG 4.49Å; W102-F112 HydrophobicContact CB-CE2 3.93Å; W102-F112 HydrophobicContact CB-CZ 4.35Å; W102-F112 AromaticContact CD1-CE2 3.55Å; W102-F112 AromaticContact CG-CE2 3.77Å; W102-F112 HydrophobicContact CG-CE2 3.77Å; W102-F112 HydrophobicContact CG-CZ 4.37Å
103G98.7Very high96.2Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-62.1-45.9177.800000112.1A55 Y59 A99 N100 N105 G106A55-G103 WeakPolarHBondContact O-CA 3.45Å; Y59-G103 VanDerWaalsContact CA-O 3.24Å; Y59-G103 WeakPolarHBondContact CA-O 3.08Å; A99-G103 PolarHBondContact O-N 3.48Å; A99-G103 VanDerWaalsContact O-N 3.15Å; N100-G103 PolarHBondContact O-N 2.81Å; G103-N105 PolarHBondContact O-N 3.28Å; G103-N105 VanDerWaalsContact O-N 3.17Å; G103-G106 PolarHBondContact O-N 3Å
104R98.6Very high97Very high23 Ų2348.7 Ų48.79%0.08725%0.251CS..Hα-helixtrans-60-31-179.5-156.7-179.1-47.2159.211.7112.3N58 A62 R69 T73 N100 R101 G106N58-R104 HydrophobicContact CB-CB 4.02Å; N58-R104 PolarHBondContact OD1-NE 3.12Å; N58-R104 PolarHBondContact OD1-NH2 2.99Å; A62-R104 HydrophobicContact CB-CG 4.12Å; A62-R104 WeakPolarHBondContact CB-O 3.14Å; R69-R104 HydrophobicContact CG-CG 3.95Å; R69-R104 PolarHBondContact NH1-O 2.66Å; T73-R104 WeakPolarHBondContact OG1-CD 3.19Å; T73-R104 PolarHBondContact OG1-NH1 3.41Å; N100-R104 VanDerWaalsContact O-CB 3.26Å; N100-R104 WeakPolarHBondContact O-CB 3.42Å; N100-R104 PolarHBondContact O-N 3.03Å; R101-R104 PolarHBondContact O-N 2.98Å; R104-G106 VanDerWaalsContact C-N 3.28Å
105N98.5Very high97.5Very high108 Ų10855.6 Ų55.658%0.57828%0.275SS*.THydrogen-bonded Turntrans-86.98.5177.5-68-22.3000113.8R69 R101 W102 G103R69-N105 PolarHBondContact NH2-OD1 3.27Å; R101-N105 VanDerWaalsContact O-CB 3.27Å; R101-N105 WeakPolarHBondContact O-CB 3.43Å; R101-N105 PolarHBondContact O-N 3.13Å; R101-N105 PolarHBondContact O-ND2 3.25Å; W102-N105 PolarHBondContact O-N 3.4Å; G103-N105 PolarHBondContact O-N 3.28Å; G103-N105 VanDerWaalsContact O-N 3.17Å
106G98.4Very high97.8Very high49 Ų4956.8 Ų56.851%0.50529%0.29SS..THydrogen-bonded Turntrans84.98.1176.600000114.4W102 G103 R104W102-G106 PolarHBondContact O-N 3.29Å; G103-G106 PolarHBondContact O-N 3Å; R104-G106 VanDerWaalsContact C-N 3.28Å
107G98.6Very high98.1Very high14 Ų1456.5 Ų56.514%0.14429%0.289CS..  trans-65.9146.1172.200000111.4Y59 W102 P109Y59-G107 WeakPolarHBondContact CD2-O 3.28Å; W102-G107 VanDerWaalsContact NE1-C 3.27Å; W102-G107 WeakPolarHBondContact O-CA 3.46Å; W102-G107 PolarHBondContact O-N 3.39Å; G107-P109 VanDerWaalsContact O-CD 3.27Å; G107-P109 WeakPolarHBondContact O-CD 3.48Å
108D98.6Very high98.3Very high87 Ų8758.3 Ų58.347%0.46530%0.301SS..  trans-64.3117.2179.9-178.81.1000110.9W102 N110 R111W102-D108 PolarHBondContact NE1-O 3.26Å; D108-N110 PolarHBondContact O-N 3.48Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 WeakPolarHBondContact OD1-CB 3.49Å; D108-N110 PolarHBondContact OD1-N 2.94Å; D108-N110 PolarHBondContact OD1-ND2 3.3Å; D108-R111 WeakPolarHBondContact O-CB 3.22Å; D108-R111 PolarHBondContact O-N 3.37Å; D108-R111 VanDerWaalsContact O-N 3.14Å
109P98.6Very high98.2Very high8 Ų864.4 Ų64.45%0.05233%0.327CS..G310 helixtrans-56.8-25177.2-25.536.1000113.6Y52 A55 R56 Y59 G107 R111 F112Y52-P109 HydrophobicContact CD2-CB 4.29Å; Y52-P109 WeakPolarHBondContact CD2-O 3.41Å; Y52-P109 HydrophobicContact CE2-CB 4.07Å; A55-P109 HydrophobicContact CB-CB 4.03Å; R56-P109 HydrophobicContact CB-CB 3.91Å; R56-P109 HydrophobicContact CB-CG 4.17Å; R56-P109 HydrophobicContact CG-CG 4.49Å; Y59-P109 HydrophobicContact CD1-CG 4.12Å; Y59-P109 HydrophobicContact CD2-CG 4.38Å; Y59-P109 HydrophobicContact CG-CG 3.85Å; G107-P109 VanDerWaalsContact O-CD 3.27Å; G107-P109 WeakPolarHBondContact O-CD 3.48Å; P109-R111 PolarHBondContact O-N 3.21Å; P109-R111 VanDerWaalsContact O-N 3.08Å; P109-F112 PolarHBondContact O-N 2.96Å
110N98.5Very high98.2Very high78 Ų7871.4 Ų71.442%0.41736%0.357SS..G310 helixtrans-64-13.8180-65.1-59.6000113.9D108 F112 R113D108-N110 PolarHBondContact O-N 3.48Å; D108-N110 VanDerWaalsContact O-N 3.09Å; D108-N110 WeakPolarHBondContact OD1-CB 3.49Å; D108-N110 PolarHBondContact OD1-N 2.94Å; D108-N110 PolarHBondContact OD1-ND2 3.3Å; N110-F112 PolarHBondContact O-N 3.42Å; N110-F112 VanDerWaalsContact O-N 3.13Å; N110-R113 HydrophobicContact CB-CB 4.34Å; N110-R113 WeakPolarHBondContact O-CB 3.47Å; N110-R113 PolarHBondContact O-N 3.05Å; N110-R113 WeakPolarHBondContact OD1-CD 3.33Å
111R98.2Very high98.1Very high131 Ų13172.5 Ų72.549%0.49436%0.361SS..G310 helixtrans-50.6-33166.1178.4175172.3-155.9-15.5112.5E98 W102 D108 P109E98-R111 IonicContact OE1-CZ 3.74Å; E98-R111 IonicContact OE1-NH1 2.66Å; E98-R111 IonicContact OE1-NH2 3.68Å; E98-R111 PolarHBondContact OE1-NH2 3.48Å; W102-R111 HydrophobicContact CZ2-CB 4.27Å; W102-R111 HydrophobicContact CZ2-CG 4.49Å; D108-R111 WeakPolarHBondContact O-CB 3.22Å; D108-R111 PolarHBondContact O-N 3.37Å; D108-R111 VanDerWaalsContact O-N 3.14Å; P109-R111 PolarHBondContact O-N 3.21Å; P109-R111 VanDerWaalsContact O-N 3.08Å
112F98.1Very high98Very high36 Ų3670.1 Ų70.116%0.15836%0.356CS..G310 helixtrans-1055.3-179.2-57-73.9000113.4K51 A55 A99 W102 P109 N110 P114K51-F112 HydrophobicContact CB-CB 3.94Å; K51-F112 HydrophobicContact CB-CD1 3.86Å; K51-F112 HydrophobicContact CB-CG 3.96Å; K51-F112 HydrophobicContact CD-CD1 4.44Å; A55-F112 HydrophobicContact CB-CD2 3.69Å; A55-F112 HydrophobicContact CB-CE2 4.03Å; A99-F112 HydrophobicContact CB-CD2 4.33Å; A99-F112 HydrophobicContact CB-CE1 4.43Å; A99-F112 HydrophobicContact CB-CE2 3.99Å; A99-F112 HydrophobicContact CB-CZ 4.05Å; W102-F112 HydrophobicContact CB-CE2 3.93Å; W102-F112 HydrophobicContact CB-CZ 4.35Å; W102-F112 AromaticContact CD1-CE2 3.55Å; W102-F112 AromaticContact CG-CE2 3.77Å; W102-F112 HydrophobicContact CG-CE2 3.77Å; W102-F112 HydrophobicContact CG-CZ 4.37Å; P109-F112 PolarHBondContact O-N 2.96Å; N110-F112 PolarHBondContact O-N 3.42Å; N110-F112 VanDerWaalsContact O-N 3.13Å; F112-P114 WeakPolarHBondContact O-CD 3.31Å
113R98.4Very high98Very high67 Ų6769.2 Ų69.225%0.25336%0.358SS..PPolyproline II helixtrans-71.2120.5-175.2-173.9-176.7-164.987.85.6110.1Y52 N110 L117 P118 Y121Y52-R113 HydrophobicContact CD2-CB 3.82Å; Y52-R113 HydrophobicContact CD2-CG 4.28Å; Y52-R113 HydrophobicContact CE2-CB 4.15Å; Y52-R113 HydrophobicContact CE2-CG 4.36Å; Y52-R113 PolarHBondContact OH-NH1 2.91Å; N110-R113 HydrophobicContact CB-CB 4.34Å; N110-R113 WeakPolarHBondContact O-CB 3.47Å; N110-R113 PolarHBondContact O-N 3.05Å; N110-R113 WeakPolarHBondContact OD1-CD 3.33Å; R113-L117 HydrophobicContact CG-CB 4.22Å; R113-L117 HydrophobicContact CG-CD2 4.15Å; R113-L117 PolarHBondContact NH2-O 3.02Å; R113-P118 PolarHBondContact NH2-O 2.94Å; R113-Y121 VanDerWaalsContact CZ-O 3.24Å; R113-Y121 PolarHBondContact NH1-O 3.03Å; R113-Y121 PolarHBondContact NH2-O 3.16Å
114P98Very high98Very high23 Ų2373 Ų7315%0.14938%0.378CS..PPolyproline II helixtrans-73.4149.9175.629.3-31.9000110.8F112 G116 L117F112-P114 WeakPolarHBondContact O-CD 3.31Å; P114-G116 PolarHBondContact O-N 3.17Å; P114-L117 HydrophobicContact CG-CB 4.11Å; P114-L117 PolarHBondContact O-N 3Å
115Q97.6Very high97.9Very high194 Ų19475.9 Ų75.991%0.90740%0.395SS*.THydrogen-bonded Turntrans-57.5135.3176.1-170176.3300110.3L117Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.37Å
116G97.6Very high97.9Very high55 Ų5573.9 Ų73.957%0.56738%0.383SS*.THydrogen-bonded Turntrans82.8-5.217800000115.7W46 P114 P118W46-G116 VanDerWaalsContact CZ2-C 3.49Å; W46-G116 WeakPolarHBondContact CZ2-O 3.41Å; P114-G116 PolarHBondContact O-N 3.17Å; G116-P118 WeakPolarHBondContact O-CD 3.45Å
117L98.3Very high97.8Very high7 Ų775.6 Ų75.64%0.03738%0.375CS..  trans-57123.6175-173.969.9000110.1A44 W46 Y52 F53 R113 P114 Q115 K119 Y121A44-L117 HydrophobicContact CB-CD1 4.22Å; W46-L117 HydrophobicContact CB-CD1 3.6Å; W46-L117 HydrophobicContact CD2-CD1 4.25Å; W46-L117 HydrophobicContact CG-CD1 3.61Å; Y52-L117 HydrophobicContact CD1-CD2 3.46Å; Y52-L117 VanDerWaalsContact CD1-CD2 3.46Å; Y52-L117 HydrophobicContact CE1-CD2 3.58Å; Y52-L117 HydrophobicContact CG-CD2 4.1Å; F53-L117 HydrophobicContact CE2-CD1 4.42Å; F53-L117 HydrophobicContact CE2-CD2 4.47Å; F53-L117 HydrophobicContact CZ-CD1 4.42Å; F53-L117 HydrophobicContact CZ-CD2 4.32Å; R113-L117 HydrophobicContact CG-CB 4.22Å; R113-L117 HydrophobicContact CG-CD2 4.15Å; R113-L117 PolarHBondContact NH2-O 3.02Å; P114-L117 HydrophobicContact CG-CB 4.11Å; P114-L117 PolarHBondContact O-N 3Å; Q115-L117 VanDerWaalsContact C-N 3.32Å; Q115-L117 PolarHBondContact O-N 3.37Å; L117-K119 PolarHBondContact O-N 3.49Å; L117-Y121 HydrophobicContact CD1-CD2 4.09Å; L117-Y121 HydrophobicContact CG-CD2 4.26Å
118P98.2Very high97.8Very high52 Ų5280 Ų8034%0.33839%0.392SS..  trans-53.2133.9-176-29.636000112.9R113 G116 K120 Y121R113-P118 PolarHBondContact NH2-O 2.94Å; G116-P118 WeakPolarHBondContact O-CD 3.45Å; P118-K120 HydrophobicContact CB-CG 4.31Å; P118-K120 PolarHBondContact O-N 3.49Å; P118-Y121 HydrophobicContact CB-CD2 3.9Å; P118-Y121 HydrophobicContact CB-CE2 3.93Å; P118-Y121 HydrophobicContact CG-CD2 4.22Å; P118-Y121 HydrophobicContact CG-CE2 3.97Å; P118-Y121 WeakPolarHBondContact O-CD2 3.47Å; P118-Y121 PolarHBondContact O-N 2.97Å
119K96.7Very high97.7Very high207 Ų20779.5 Ų79.590%0.939%0.386SS*.THydrogen-bonded Turntrans-60.2-15.7-174.2-68.6-177.9178.8179.30115L117 Y121L117-K119 PolarHBondContact O-N 3.49Å; K119-Y121 PolarHBondContact O-N 3.34Å
120K96.8Very high97.7Very high148 Ų14885.4 Ų85.464%0.64341%0.414SS*.THydrogen-bonded Turntrans-67-21.2175.370.1172.5-170.7164.70112.7D43 P118D43-K120 IonicContact OD2-NZ 3.03Å; D43-K120 PolarHBondContact OD2-NZ 2.92Å; P118-K120 HydrophobicContact CB-CG 4.31Å; P118-K120 PolarHBondContact O-N 3.49Å
121Y95.7Very high97.6Very high27 Ų2786.1 Ų86.111%0.10641%0.414CS..  trans-96.80176-52.2-62.7000111.4D40 D43 A44 Y52 F53 R56 R113 L117 P118 K119D40-Y121 HydrophobicContact CB-CD1 3.79Å; D40-Y121 HydrophobicContact CB-CE1 4.07Å; D43-Y121 HydrophobicContact CB-CE1 4.47Å; D43-Y121 WeakPolarHBondContact OD2-CE1 3.41Å; D43-Y121 PolarHBondContact OD2-OH 3.36Å; A44-Y121 WeakPolarHBondContact CA-OH 3.41Å; A44-Y121 HydrophobicContact CB-CD2 3.93Å; A44-Y121 HydrophobicContact CB-CE1 4.17Å; A44-Y121 HydrophobicContact CB-CE2 3.46Å; A44-Y121 VanDerWaalsContact CB-CE2 3.46Å; A44-Y121 HydrophobicContact CB-CG 4.44Å; A44-Y121 PolarHBondContact N-OH 3.49Å; Y52-Y121 WeakPolarHBondContact CE1-OXT 3.37Å; Y52-Y121 PolarHBondContact OH-O 3.33Å; Y52-Y121 VanDerWaalsContact OH-O 3.13Å; Y52-Y121 PolarHBondContact OH-OXT 2.99Å; F53-Y121 HydrophobicContact CE1-CD1 4.32Å; F53-Y121 HydrophobicContact CE1-CG 4.3Å; F53-Y121 HydrophobicContact CZ-CD1 4.28Å; F53-Y121 HydrophobicContact CZ-CG 4.01Å; R56-Y121 WeakPolarHBondContact CD-OXT 3.31Å; R56-Y121 PolarHBondContact NH1-OXT 2.93Å; R113-Y121 VanDerWaalsContact CZ-O 3.24Å; R113-Y121 PolarHBondContact NH1-O 3.03Å; R113-Y121 PolarHBondContact NH2-O 3.16Å; L117-Y121 HydrophobicContact CD1-CD2 4.09Å; L117-Y121 HydrophobicContact CG-CD2 4.26Å; P118-Y121 HydrophobicContact CB-CD2 3.9Å; P118-Y121 HydrophobicContact CB-CE2 3.93Å; P118-Y121 HydrophobicContact CG-CD2 4.22Å; P118-Y121 HydrophobicContact CG-CE2 3.97Å; P118-Y121 WeakPolarHBondContact O-CD2 3.47Å; P118-Y121 PolarHBondContact O-N 2.97Å; K119-Y121 PolarHBondContact O-N 3.34Å

Retrieved 121 of 121 residues in 122 ms (Link to these results)

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