A0A3Q0KND9_SCHMA Loading...

Secreted protein

AlphaFold DB , UniProt , Accession A0A3Q0KND9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 151 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
1M47.3Very low50.1Low236 Ų23680.3 Ų80.3100%1.16340%0.404SS*.  0118.50-122.3173.4173.700108.1K3M1-K3 PolarHBondContact O-N 3.38Å
2N48.1Very low50.1Low118 Ų11875.7 Ų75.763%0.63138%0.383SS*.  trans-61.4124.7-173.1-103.1-9.7000110.6I4 F5N2-I4 PolarHBondContact O-N 3.36Å; N2-F5 HydrophobicContact CB-CD2 3.67Å; N2-F5 HydrophobicContact CB-CE2 4.18Å; N2-F5 WeakPolarHBondContact O-CB 3.36Å; N2-F5 PolarHBondContact O-N 3.07Å
3K49.3Very low50.3Low139 Ų13976.2 Ų76.260%0.60439%0.387SS*.Hα-helixtrans-52.2-28-176.5-68.7176.5178.8178.10113.7M1 F5 A6 N7 Q105M1-K3 PolarHBondContact O-N 3.38Å; K3-F5 VanDerWaalsContact C-N 3.35Å; K3-F5 PolarHBondContact O-N 3.13Å; K3-A6 PolarHBondContact O-N 3.15Å; K3-N7 PolarHBondContact O-N 3.12Å; K3-Q105 PolarHBondContact O-NE2 3.18Å
4I49.6Very low50.6Low47 Ų4772.7 Ų72.724%0.24138%0.375CS..Hα-helixtrans-59.9-40.7173.3-65.8170.2000111.9N2 N7 L8 L94 K95N2-I4 PolarHBondContact O-N 3.36Å; I4-N7 PolarHBondContact O-N 3.25Å; I4-L8 WeakPolarHBondContact O-CB 3.39Å; I4-L8 PolarHBondContact O-N 2.81Å; I4-L94 HydrophobicContact CG1-CB 4.39Å; I4-L94 HydrophobicContact CG2-CB 3.76Å; I4-L94 HydrophobicContact CG2-CD1 4.01Å; I4-K95 HydrophobicContact CD1-CB 4.48Å; I4-K95 HydrophobicContact CD1-CG 3.86Å
5F46.8Very low50.6Low118 Ų11868.8 Ų68.852%0.51836%0.356SS..Hα-helixtrans-66.2-38.5178.9-79.9-87.5000112N2 K3 L8 L9N2-F5 HydrophobicContact CB-CD2 3.67Å; N2-F5 HydrophobicContact CB-CE2 4.18Å; N2-F5 WeakPolarHBondContact O-CB 3.36Å; N2-F5 PolarHBondContact O-N 3.07Å; K3-F5 VanDerWaalsContact C-N 3.35Å; K3-F5 PolarHBondContact O-N 3.13Å; F5-L8 PolarHBondContact O-N 3.32Å; F5-L9 VanDerWaalsContact O-CB 3.25Å; F5-L9 WeakPolarHBondContact O-CB 3.47Å; F5-L9 PolarHBondContact O-N 3.31Å
6A50Low50.7Low36 Ų3668.8 Ų68.830%0.29836%0.356SS..Hα-helixtrans-63.4-47.4177.100000110.9K3 L8 L9 I10K3-A6 PolarHBondContact O-N 3.15Å; A6-L8 PolarHBondContact O-N 2.84Å; A6-L9 WeakPolarHBondContact O-CB 3.49Å; A6-L9 PolarHBondContact O-N 2.94Å; A6-I10 WeakPolarHBondContact O-CD1 3.24Å; A6-I10 WeakPolarHBondContact O-CG1 3.42Å; A6-I10 PolarHBondContact O-N 2.96Å
7N50.5Low50.7Low33 Ų3365.8 Ų65.818%0.17634%0.341CS..Hα-helixtrans-59.2-45.2176.1-79.57.2000112.1K3 I4 I10 I11 F60 L94 Q105K3-N7 PolarHBondContact O-N 3.12Å; I4-N7 PolarHBondContact O-N 3.25Å; N7-I10 PolarHBondContact O-N 3.29Å; N7-I11 WeakPolarHBondContact O-CG1 3.37Å; N7-I11 PolarHBondContact O-N 2.95Å; N7-I11 VanDerWaalsContact O-N 3.12Å; N7-F60 HydrophobicContact CB-CE2 4.13Å; N7-F60 HydrophobicContact CB-CZ 3.73Å; N7-L94 HydrophobicContact CB-CD1 4.43Å; N7-Q105 PolarHBondContact OD1-NE2 3.01Å
8L52Low50.7Low18 Ų1863.3 Ų63.39%0.09433%0.327CS..Hα-helixtrans-63.9-41.9176.7-165.381.6000111.8I4 F5 A6 I10 I11 T12 L87 R90 Q91 L94I4-L8 WeakPolarHBondContact O-CB 3.39Å; I4-L8 PolarHBondContact O-N 2.81Å; F5-L8 PolarHBondContact O-N 3.32Å; A6-L8 PolarHBondContact O-N 2.84Å; L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 3.43Å; L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 3.17Å; L8-T12 PolarHBondContact O-OG1 3.18Å; L8-L87 HydrophobicContact CD1-CD2 3.87Å; L8-L87 HydrophobicContact CD2-CD2 4.39Å; L8-L87 HydrophobicContact CG-CD2 3.98Å; L8-R90 HydrophobicContact CD1-CB 3.82Å; L8-Q91 HydrophobicContact CD1-CG 4.33Å; L8-Q91 HydrophobicContact CD2-CG 3.82Å; L8-L94 HydrophobicContact CB-CD1 4.11Å; L8-L94 HydrophobicContact CD1-CD1 3.93Å
9L52.4Low50.4Low109 Ų10962.1 Ų62.157%0.57132%0.324SS*.Hα-helixtrans-61.2-42.3177.3-172.677.9000111F5 A6 T12 L13F5-L9 VanDerWaalsContact O-CB 3.25Å; F5-L9 WeakPolarHBondContact O-CB 3.47Å; F5-L9 PolarHBondContact O-N 3.31Å; A6-L9 WeakPolarHBondContact O-CB 3.49Å; A6-L9 PolarHBondContact O-N 2.94Å; L9-T12 PolarHBondContact O-N 3.14Å; L9-L13 HydrophobicContact CD2-CD1 4.4Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.98Å
10I53Low50.4Low16 Ų1663.5 Ų63.58%0.08233%0.329CS..Hα-helixtrans-63.3-47.4178.2-65.8161.3000111.1A6 N7 L8 T12 L13 A14 V109 V112A6-I10 WeakPolarHBondContact O-CD1 3.24Å; A6-I10 WeakPolarHBondContact O-CG1 3.42Å; A6-I10 PolarHBondContact O-N 2.96Å; N7-I10 PolarHBondContact O-N 3.29Å; L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 3.29Å; I10-T12 VanDerWaalsContact C-N 3.29Å; I10-T12 PolarHBondContact O-N 3.44Å; I10-L13 PolarHBondContact O-N 3.36Å; I10-A14 WeakPolarHBondContact O-CB 3.38Å; I10-A14 PolarHBondContact O-N 3.42Å; I10-V109 HydrophobicContact CD1-CG2 3.39Å; I10-V109 HydrophobicContact CG1-CG2 3.7Å; I10-V112 HydrophobicContact CG2-CB 4.27Å; I10-V112 HydrophobicContact CG2-CG1 4.47Å; I10-V112 HydrophobicContact CG2-CG2 3.67Å
11I52.4Low50.4Low13 Ų1360.7 Ų60.77%0.06732%0.315CS..Hα-helixtrans-58.4-46.6175.6-65.2164.4000109.7N7 L8 L13 A14 T15 F60 L64N7-I11 WeakPolarHBondContact O-CG1 3.37Å; N7-I11 PolarHBondContact O-N 2.95Å; N7-I11 VanDerWaalsContact O-N 3.12Å; L8-I11 PolarHBondContact O-N 3.43Å; I11-L13 PolarHBondContact O-N 3.03Å; I11-A14 PolarHBondContact O-N 2.91Å; I11-T15 WeakPolarHBondContact O-CB 3.32Å; I11-T15 PolarHBondContact O-N 2.9Å; I11-T15 PolarHBondContact O-OG1 2.79Å; I11-F60 HydrophobicContact CD1-CE1 3.47Å; I11-F60 VanDerWaalsContact CD1-CE1 3.47Å; I11-F60 HydrophobicContact CD1-CZ 3.43Å; I11-F60 VanDerWaalsContact CD1-CZ 3.43Å; I11-F60 HydrophobicContact CG1-CE1 3.53Å; I11-F60 HydrophobicContact CG1-CZ 3.97Å; I11-L64 HydrophobicContact CG1-CD2 4.3Å; I11-L64 HydrophobicContact CG2-CD2 4.32Å
12T49.8Very low50.5Low25 Ų2550.9 Ų50.915%0.15327%0.267CS..Hα-helixtrans-61.8-44.9-178-51.70000111L8 L9 I10 T15 I16 L87L8-T12 WeakPolarHBondContact O-CB 3.47Å; L8-T12 PolarHBondContact O-N 3.17Å; L8-T12 PolarHBondContact O-OG1 3.18Å; L9-T12 PolarHBondContact O-N 3.14Å; I10-T12 VanDerWaalsContact C-N 3.29Å; I10-T12 PolarHBondContact O-N 3.44Å; T12-T15 PolarHBondContact O-N 2.86Å; T12-I16 HydrophobicContact CG2-CD1 3.64Å; T12-I16 HydrophobicContact CG2-CG1 4.28Å; T12-I16 WeakPolarHBondContact O-CB 3.38Å; T12-I16 VanDerWaalsContact O-CG1 3.23Å; T12-I16 WeakPolarHBondContact O-CG1 3.26Å; T12-I16 PolarHBondContact O-N 2.64Å; T12-L87 VanDerWaalsContact OG1-CD2 3.32Å; T12-L87 WeakPolarHBondContact OG1-CD2 3.49Å
13L53.2Low50.5Low83 Ų8352.2 Ų52.244%0.43526%0.263SS..Hα-helixtrans-63.5-46.8176.6-77.1165.3000112L9 I10 I11 T15 T17L9-L13 HydrophobicContact CD2-CD1 4.4Å; L9-L13 HydrophobicContact CG-CD1 4.02Å; L9-L13 WeakPolarHBondContact O-CB 3.19Å; L9-L13 WeakPolarHBondContact O-CG 3.39Å; L9-L13 PolarHBondContact O-N 2.98Å; I10-L13 PolarHBondContact O-N 3.36Å; I11-L13 PolarHBondContact O-N 3.03Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 2.79Å; L13-T17 VanDerWaalsContact O-CB 3.3Å; L13-T17 WeakPolarHBondContact O-CB 3.32Å; L13-T17 WeakPolarHBondContact O-CG2 3.18Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 2.77Å
14A53.9Low50.4Low27 Ų2749.4 Ų49.422%0.22325%0.254CS..Hα-helixtrans-60.3-41.5177.200000111.6I10 I11 T17 Y18 V112I10-A14 WeakPolarHBondContact O-CB 3.38Å; I10-A14 PolarHBondContact O-N 3.42Å; I11-A14 PolarHBondContact O-N 2.91Å; A14-T17 PolarHBondContact O-OG1 3.18Å; A14-T17 VanDerWaalsContact O-OG1 3.08Å; A14-Y18 WeakPolarHBondContact O-CB 3.46Å; A14-Y18 PolarHBondContact O-N 3.14Å; A14-V112 HydrophobicContact CB-CG1 4.04Å
15T50.7Low50.4Low14 Ų1448 Ų489%0.08625%0.247CC..Hα-helixtrans-69.5-49.9-179.7-440000111.5I11 T12 L13 T17 Y18 S19I11-T15 WeakPolarHBondContact O-CB 3.32Å; I11-T15 PolarHBondContact O-N 2.9Å; I11-T15 PolarHBondContact O-OG1 2.79Å; T12-T15 PolarHBondContact O-N 2.86Å; L13-T15 VanDerWaalsContact C-N 3.3Å; L13-T15 PolarHBondContact O-N 2.79Å; T15-T17 VanDerWaalsContact C-N 3.31Å; T15-T17 PolarHBondContact O-N 3.47Å; T15-Y18 PolarHBondContact O-N 3.47Å; T15-S19 PolarHBondContact O-N 2.83Å; T15-S19 PolarHBondContact O-OG 2.93Å
16I51.7Low50.5Low68 Ų6846 Ų4635%0.34924%0.242SC..Hα-helixtrans-59.3-45.3179.9-71.7171.9000110.6T12 Y18 S19 Q20T12-I16 HydrophobicContact CG2-CD1 3.64Å; T12-I16 HydrophobicContact CG2-CG1 4.28Å; T12-I16 WeakPolarHBondContact O-CB 3.38Å; T12-I16 VanDerWaalsContact O-CG1 3.23Å; T12-I16 WeakPolarHBondContact O-CG1 3.26Å; T12-I16 PolarHBondContact O-N 2.64Å; I16-Y18 VanDerWaalsContact C-N 3.28Å; I16-Y18 PolarHBondContact O-N 3.27Å; I16-S19 PolarHBondContact O-N 2.83Å; I16-Q20 HydrophobicContact CG2-CG 4.19Å; I16-Q20 WeakPolarHBondContact O-CB 3.4Å; I16-Q20 VanDerWaalsContact O-CG 3.31Å; I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 2.83Å
17T51.2Low50.6Low18 Ų1850.3 Ų50.311%0.1126%0.26CS..Hα-helixtrans-67.2-32.5-176.7550000112.3L13 A14 T15 L21 Y116L13-T17 VanDerWaalsContact O-CB 3.3Å; L13-T17 WeakPolarHBondContact O-CB 3.32Å; L13-T17 WeakPolarHBondContact O-CG2 3.18Å; L13-T17 PolarHBondContact O-N 3.26Å; L13-T17 PolarHBondContact O-OG1 2.77Å; A14-T17 PolarHBondContact O-OG1 3.18Å; A14-T17 VanDerWaalsContact O-OG1 3.08Å; T15-T17 VanDerWaalsContact C-N 3.31Å; T15-T17 PolarHBondContact O-N 3.47Å; T17-L21 WeakPolarHBondContact O-CB 3.12Å; T17-L21 PolarHBondContact O-N 3.11Å; T17-Y116 VanDerWaalsContact CB-CD2 3.42Å; T17-Y116 HydrophobicContact CG2-CD2 3.18Å; T17-Y116 HydrophobicContact CG2-CE2 3.2Å; T17-Y116 HydrophobicContact CG2-CG 4.1Å
18Y50.5Low50.5Low22 Ų2255.1 Ų55.19%0.08629%0.285CS..Hα-helixtrans-68.2-47.4170.6-173.4-108000112.6A14 T15 I16 Q20 L21 L22 M46 Y68 T72A14-Y18 WeakPolarHBondContact O-CB 3.46Å; A14-Y18 PolarHBondContact O-N 3.14Å; T15-Y18 PolarHBondContact O-N 3.47Å; I16-Y18 VanDerWaalsContact C-N 3.28Å; I16-Y18 PolarHBondContact O-N 3.27Å; Y18-Q20 VanDerWaalsContact C-N 3.3Å; Y18-Q20 PolarHBondContact O-N 3.48Å; Y18-L21 WeakPolarHBondContact O-CB 3.33Å; Y18-L21 PolarHBondContact O-N 2.95Å; Y18-L21 VanDerWaalsContact O-N 3.15Å; Y18-L22 HydrophobicContact CD1-CD1 3.7Å; Y18-L22 HydrophobicContact CD1-CG 4.31Å; Y18-L22 HydrophobicContact CE1-CD1 3.22Å; Y18-L22 HydrophobicContact CE1-CG 3.99Å; Y18-L22 HydrophobicContact CE2-CG 4.47Å; Y18-L22 PolarHBondContact O-N 2.93Å; Y18-M46 HydrophobicContact CE2-CE 3.45Å; Y18-M46 VanDerWaalsContact CE2-CE 3.45Å; Y18-M46 HydrophobicContact CE2-CG 4.43Å; Y18-M46 VanDerWaalsContact CZ-CE 3.49Å; Y18-M46 WeakPolarHBondContact OH-CE 3.46Å; Y18-Y68 HydrophobicContact CE2-CE2 4.19Å; Y18-Y68 AromaticContact CZ-CE2 3.99Å; Y18-T72 HydrophobicContact CE1-CG2 3.79Å; Y18-T72 WeakPolarHBondContact OH-CG2 3.31Å
19S46.3Very low50.2Low39 Ų3956.4 Ų56.427%0.27329%0.292SS..Hα-helixtrans-60.5-39.7176.9-58.70000111.9T15 I16 R23T15-S19 PolarHBondContact O-N 2.83Å; T15-S19 PolarHBondContact O-OG 2.93Å; I16-S19 PolarHBondContact O-N 2.83Å; S19-R23 WeakPolarHBondContact O-CB 3.34Å; S19-R23 VanDerWaalsContact O-CG 3.32Å; S19-R23 WeakPolarHBondContact O-CG 3.4Å; S19-R23 PolarHBondContact O-N 3Å
20Q48.6Very low49.9Very low91 Ų9158 Ų5843%0.42529%0.294SS..Hα-helixtrans-66-40.8174.5-75176.6-18.700112I16 Y18 N24I16-Q20 HydrophobicContact CG2-CG 4.19Å; I16-Q20 WeakPolarHBondContact O-CB 3.4Å; I16-Q20 VanDerWaalsContact O-CG 3.31Å; I16-Q20 WeakPolarHBondContact O-CG 3.41Å; I16-Q20 PolarHBondContact O-N 2.83Å; Y18-Q20 VanDerWaalsContact C-N 3.3Å; Y18-Q20 PolarHBondContact O-N 3.48Å; Q20-N24 VanDerWaalsContact O-CG 3.31Å; Q20-N24 PolarHBondContact O-N 3.36Å; Q20-N24 PolarHBondContact O-ND2 3.46Å
21L51Low49.7Very low4 Ų458 Ų582%0.02129%0.294CS..Hα-helixtrans-60.6-51.5175.3-166.480.4000110T17 Y18 R23 N24 I25 L42 R119 L123T17-L21 WeakPolarHBondContact O-CB 3.12Å; T17-L21 PolarHBondContact O-N 3.11Å; Y18-L21 WeakPolarHBondContact O-CB 3.33Å; Y18-L21 PolarHBondContact O-N 2.95Å; Y18-L21 VanDerWaalsContact O-N 3.15Å; L21-R23 PolarHBondContact O-N 3.17Å; L21-N24 PolarHBondContact O-N 2.82Å; L21-I25 HydrophobicContact CD2-CD1 4.38Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 VanDerWaalsContact O-CD1 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.44Å; L21-I25 WeakPolarHBondContact O-CG1 3.15Å; L21-I25 PolarHBondContact O-N 3.49Å; L21-L42 HydrophobicContact CD1-CD2 4.37Å; L21-L42 HydrophobicContact CD2-CD2 4.16Å; L21-L42 HydrophobicContact CG-CD2 4.42Å; L21-R119 HydrophobicContact CD1-CB 3.99Å; L21-R119 HydrophobicContact CD2-CB 4.06Å; L21-R119 HydrophobicContact CD2-CG 4.09Å; L21-L123 HydrophobicContact CD1-CB 3.82Å; L21-L123 HydrophobicContact CD1-CD1 4.37Å; L21-L123 HydrophobicContact CD1-CD2 4.3Å; L21-L123 HydrophobicContact CD1-CG 4.39Å
22L48.9Very low49.2Very low31 Ų3162.6 Ų62.616%0.16231%0.311CS..Hα-helixtrans-60-42179.8-78.9178.9000113.2Y18 N24 I25 M46 L76Y18-L22 HydrophobicContact CD1-CD1 3.7Å; Y18-L22 HydrophobicContact CD1-CG 4.31Å; Y18-L22 HydrophobicContact CE1-CD1 3.22Å; Y18-L22 HydrophobicContact CE1-CG 3.99Å; Y18-L22 HydrophobicContact CE2-CG 4.47Å; Y18-L22 PolarHBondContact O-N 2.93Å; L22-N24 VanDerWaalsContact C-N 3.26Å; L22-N24 PolarHBondContact O-N 3.5Å; L22-I25 PolarHBondContact O-N 3.43Å; L22-M46 HydrophobicContact CD2-CE 3.49Å; L22-M46 VanDerWaalsContact CD2-CE 3.49Å; L22-M46 HydrophobicContact CG-CE 4.32Å; L22-L76 HydrophobicContact CB-CD1 4.34Å; L22-L76 HydrophobicContact CD1-CD1 4.49Å
23R48.6Very low49Very low146 Ų14665.9 Ų65.955%0.55133%0.325SS*.Hα-helixtrans-63.9-30.9178.4-80.2178.9177.1-167-1.8113.5S19 L21 I25 L80S19-R23 WeakPolarHBondContact O-CB 3.34Å; S19-R23 VanDerWaalsContact O-CG 3.32Å; S19-R23 WeakPolarHBondContact O-CG 3.4Å; S19-R23 PolarHBondContact O-N 3Å; L21-R23 PolarHBondContact O-N 3.17Å; R23-I25 VanDerWaalsContact C-N 3.28Å; R23-L80 VanDerWaalsContact NH2-CD1 3.33Å
24N47Very low48.3Very low79 Ų7968.2 Ų68.242%0.42234%0.338SS..THydrogen-bonded Turntrans-88.22.9-179.3-67.1-26.3000112.9Q20 L21 L22 L123 Y126Q20-N24 VanDerWaalsContact O-CG 3.31Å; Q20-N24 PolarHBondContact O-N 3.36Å; Q20-N24 PolarHBondContact O-ND2 3.46Å; L21-N24 PolarHBondContact O-N 2.82Å; L22-N24 VanDerWaalsContact C-N 3.26Å; L22-N24 PolarHBondContact O-N 3.5Å; N24-L123 HydrophobicContact CB-CD1 3.8Å; N24-L123 HydrophobicContact CB-CD2 4.09Å; N24-Y126 WeakPolarHBondContact O-CE1 3.22Å
25I49.4Very low48.1Very low17 Ų1777 Ų779%0.08737%0.367CS..  trans-106.2117.5179.1-64.4164.3000108.3L21 L22 R23 L27 L42 L123L21-I25 HydrophobicContact CD2-CD1 4.38Å; L21-I25 HydrophobicContact CG-CD1 3.96Å; L21-I25 VanDerWaalsContact O-CD1 3.28Å; L21-I25 WeakPolarHBondContact O-CD1 3.44Å; L21-I25 WeakPolarHBondContact O-CG1 3.15Å; L21-I25 PolarHBondContact O-N 3.49Å; L22-I25 PolarHBondContact O-N 3.43Å; R23-I25 VanDerWaalsContact C-N 3.28Å; I25-L27 PolarHBondContact O-N 3.25Å; I25-L42 HydrophobicContact CD1-CB 3.99Å; I25-L42 HydrophobicContact CD1-CD1 3.46Å; I25-L42 VanDerWaalsContact CD1-CD1 3.46Å; I25-L42 HydrophobicContact CD1-CD2 3.93Å; I25-L42 HydrophobicContact CD1-CG 3.97Å; I25-L42 HydrophobicContact CG1-CD1 3.5Å; I25-L42 VanDerWaalsContact CG1-CD1 3.5Å; I25-L42 HydrophobicContact CG2-CD1 4.21Å; I25-L123 HydrophobicContact CG1-CD1 4.41Å
26N50.4Low48.1Very low76 Ų7683.5 Ų83.541%0.40640%0.401SS..  trans-76.2115.5163.7-175.95.5000108.6N28 D29 Y126N26-N28 PolarHBondContact O-N 3.31Å; N26-N28 WeakPolarHBondContact OD1-CB 3.43Å; N26-N28 PolarHBondContact OD1-N 2.96Å; N26-N28 VanDerWaalsContact OD1-N 3.15Å; N26-D29 WeakPolarHBondContact CB-OD1 3.39Å; N26-D29 PolarHBondContact ND2-OD1 3.32Å; N26-D29 PolarHBondContact O-N 2.83Å; N26-Y126 PolarHBondContact N-OH 3.26Å
27L50.6Low47.8Very low128 Ų12887.5 Ų87.567%0.6742%0.416SS*.THydrogen-bonded Turntrans-64.3-19.8179.6-73.9170.4000112.9I25 D29I25-L27 PolarHBondContact O-N 3.25Å; L27-D29 VanDerWaalsContact C-N 3.34Å
28N48.8Very low47.7Very low133 Ų13390.4 Ų90.471%0.71144%0.435SS*.THydrogen-bonded Turntrans-83.3-10.4179.7-62.2-36000113.2N26 K30N26-N28 PolarHBondContact O-N 3.31Å; N26-N28 WeakPolarHBondContact OD1-CB 3.43Å; N26-N28 PolarHBondContact OD1-N 2.96Å; N26-N28 VanDerWaalsContact OD1-N 3.15Å; N28-K30 PolarHBondContact O-N 3.23Å
29D45.9Very low47.6Very low45 Ų4592.8 Ų92.824%0.24145%0.448CS..  trans-68.4116.4179.6-73.67.5000110.2N26 L27 F31 Y126N26-D29 WeakPolarHBondContact CB-OD1 3.39Å; N26-D29 PolarHBondContact ND2-OD1 3.32Å; N26-D29 PolarHBondContact O-N 2.83Å; L27-D29 VanDerWaalsContact C-N 3.34Å; D29-F31 HydrophobicContact CB-CD2 4.35Å; D29-F31 HydrophobicContact CB-CE2 3.47Å; D29-F31 VanDerWaalsContact CB-CE2 3.47Å; D29-F31 HydrophobicContact CB-CZ 3.94Å; D29-F31 WeakPolarHBondContact O-CD2 3.41Å; D29-F31 PolarHBondContact O-N 2.95Å; D29-Y126 HydrophobicContact CB-CE2 4.18Å; D29-Y126 WeakPolarHBondContact OD2-CE2 3.42Å; D29-Y126 PolarHBondContact OD2-OH 2.71Å
30K47.2Very low47.7Very low142 Ų14292 Ų9262%0.61744%0.441SS*.  trans-83.4107.9180-66.8178.6-175.8171.70109.8N28 Y32 P38N28-K30 PolarHBondContact O-N 3.23Å; K30-Y32 HydrophobicContact CB-CE2 4.14Å; K30-P38 HydrophobicContact CB-CB 4.43Å
31F46.9Very low47.7Very low16 Ų1689.2 Ų89.27%0.0743%0.431CS..  trans-96.3114.7171.9-67.2-85000110.8D29 E33 P38 I39 N40 P41 Y126 R129D29-F31 HydrophobicContact CB-CD2 4.35Å; D29-F31 HydrophobicContact CB-CE2 3.47Å; D29-F31 VanDerWaalsContact CB-CE2 3.47Å; D29-F31 HydrophobicContact CB-CZ 3.94Å; D29-F31 WeakPolarHBondContact O-CD2 3.41Å; D29-F31 PolarHBondContact O-N 2.95Å; F31-E33 PolarHBondContact O-N 3.18Å; F31-P38 CarbonylContact O-C 3.5Å; F31-P38 VanDerWaalsContact O-CA 3.23Å; F31-P38 WeakPolarHBondContact O-CA 3.2Å; F31-I39 PolarHBondContact O-N 2.85Å; F31-N40 HydrophobicContact CD2-CB 4.2Å; F31-P41 VanDerWaalsContact CB-CD 3.41Å; F31-P41 HydrophobicContact CB-CG 4.39Å; F31-P41 HydrophobicContact CD1-CG 4.29Å; F31-P41 VanDerWaalsContact CG-CD 3.42Å; F31-P41 HydrophobicContact CG-CG 4.17Å; F31-Y126 AromaticContact CE1-CD2 3.85Å; F31-Y126 HydrophobicContact CE1-CD2 3.85Å; F31-Y126 HydrophobicContact CE1-CE2 4.33Å; F31-Y126 AromaticContact CE2-CD2 3.48Å; F31-Y126 HydrophobicContact CE2-CD2 3.48Å; F31-Y126 VanDerWaalsContact CE2-CD2 3.48Å; F31-Y126 AromaticContact CE2-CE2 3.35Å; F31-Y126 HydrophobicContact CE2-CE2 3.35Å; F31-Y126 AromaticContact CZ-CD2 3.02Å; F31-Y126 HydrophobicContact CZ-CD2 3.02Å; F31-Y126 AromaticContact CZ-CE2 3.14Å; F31-Y126 HydrophobicContact CZ-CE2 3.14Å; F31-Y126 HydrophobicContact CZ-CG 4.14Å; F31-R129 HydrophobicContact CE1-CB 4.3Å
32Y43.3Very low47.7Very low111 Ų11189.1 Ų89.144%0.43543%0.43SS..BIsolated β-bridgetrans-8699.7171.9-59.1-81.5000108.8K30K30-Y32 HydrophobicContact CB-CE2 4.14Å
33E45.1Very low47.8Very low94 Ų9491.6 Ų91.644%0.43944%0.443SS..SBendtrans-71.6-22.9170.1-152.2-179.8-162.900110.5F31 K44F31-E33 PolarHBondContact O-N 3.18Å; E33-K44 IonicContact OE1-NZ 3.49Å; E33-K44 PolarHBondContact OE1-NZ 3.25Å; E33-K44 IonicContact OE2-NZ 2.82Å; E33-K44 PolarHBondContact OE2-NZ 2.69Å
34N37.4Very low47.9Very low132 Ų13288 Ų8871%0.70643%0.431SS*.SBendtrans-163152.1163.2-94.5-35.5000107.8N36 K37N34-N36 PolarHBondContact O-N 3.29Å; N34-K37 PolarHBondContact O-N 3.37Å
35Y51.5Low48Very low212 Ų21285.6 Ų85.683%0.83142%0.42SS*.THydrogen-bonded Turntrans-44.7-15.7-167-77.3-84.8000118.4
36N49.5Very low47.9Very low149 Ų14985.7 Ų85.780%0.79742%0.42SS*.THydrogen-bonded Turntrans-112.6-3.8-172-70.7-12.1000116.9N34N34-N36 PolarHBondContact O-N 3.29Å
37K46.3Very low47.7Very low153 Ų15386.5 Ų86.567%0.66542%0.424SS*.  trans-147.2119.2169.9-68.3-170.8-178.9178.20112.2N34 I39N34-K37 PolarHBondContact O-N 3.37Å; K37-I39 PolarHBondContact O-N 3.21Å
38P48Very low47.4Very low79 Ų7987.4 Ų87.451%0.51342%0.423SS..BIsolated β-bridgetrans-64.6111.9168.926.4-31000108.5K30 F31K30-P38 HydrophobicContact CB-CB 4.43Å; F31-P38 CarbonylContact O-C 3.5Å; F31-P38 VanDerWaalsContact O-CA 3.23Å; F31-P38 WeakPolarHBondContact O-CA 3.2Å
39I48.1Very low47Very low72 Ų7282.2 Ų82.237%0.36940%0.396SS..  trans-122.3111170.2-73.3177.1000105.7F31 K37 P41 K44F31-I39 PolarHBondContact O-N 2.85Å; K37-I39 PolarHBondContact O-N 3.21Å; I39-P41 VanDerWaalsContact O-CD 3.26Å; I39-P41 WeakPolarHBondContact O-CD 3.41Å; I39-P41 VanDerWaalsContact O-N 3.13Å; I39-K44 HydrophobicContact CG2-CB 3.99Å; I39-K44 HydrophobicContact CG2-CD 4.22Å
40N49Very low46.7Very low21 Ų2182.5 Ų82.511%0.11240%0.401CS..  trans-62.2115.3172.5-175.1-30.8000108.6F31 L42 L43 K44F31-N40 HydrophobicContact CD2-CB 4.2Å; N40-L42 PolarHBondContact O-N 3.37Å; N40-L42 VanDerWaalsContact O-N 3.16Å; N40-L42 VanDerWaalsContact OD1-CB 3.25Å; N40-L42 WeakPolarHBondContact OD1-CB 3.5Å; N40-L42 PolarHBondContact OD1-N 3.38Å; N40-L43 HydrophobicContact CB-CB 4.1Å; N40-L43 WeakPolarHBondContact O-CA 3.37Å; N40-L43 WeakPolarHBondContact O-CB 3.35Å; N40-L43 PolarHBondContact O-N 3.02Å; N40-K44 PolarHBondContact O-N 3.47Å
41P49.3Very low46.2Very low33 Ų3384.4 Ų84.421%0.21441%0.406CS..Hα-helixtrans-63.2-24.1-175.425.1-33.8000111.9F31 I39 T45F31-P41 VanDerWaalsContact CB-CD 3.41Å; F31-P41 HydrophobicContact CB-CG 4.39Å; F31-P41 HydrophobicContact CD1-CG 4.29Å; F31-P41 VanDerWaalsContact CG-CD 3.42Å; F31-P41 HydrophobicContact CG-CG 4.17Å; I39-P41 VanDerWaalsContact O-CD 3.26Å; I39-P41 WeakPolarHBondContact O-CD 3.41Å; I39-P41 VanDerWaalsContact O-N 3.13Å; P41-T45 WeakPolarHBondContact O-CB 3.41Å; P41-T45 PolarHBondContact O-N 3.45Å; P41-T45 PolarHBondContact O-OG1 3.03Å
42L49.7Very low45.5Very low3 Ų387 Ų872%0.01642%0.419CS..Hα-helixtrans-67.7-46.1171.4-70.5149000110.6L21 I25 N40 K44 T45 M46 I122 Y126L21-L42 HydrophobicContact CD1-CD2 4.37Å; L21-L42 HydrophobicContact CD2-CD2 4.16Å; L21-L42 HydrophobicContact CG-CD2 4.42Å; I25-L42 HydrophobicContact CD1-CB 3.99Å; I25-L42 HydrophobicContact CD1-CD1 3.46Å; I25-L42 VanDerWaalsContact CD1-CD1 3.46Å; I25-L42 HydrophobicContact CD1-CD2 3.93Å; I25-L42 HydrophobicContact CD1-CG 3.97Å; I25-L42 HydrophobicContact CG1-CD1 3.5Å; I25-L42 VanDerWaalsContact CG1-CD1 3.5Å; I25-L42 HydrophobicContact CG2-CD1 4.21Å; N40-L42 PolarHBondContact O-N 3.37Å; N40-L42 VanDerWaalsContact O-N 3.16Å; N40-L42 VanDerWaalsContact OD1-CB 3.25Å; N40-L42 WeakPolarHBondContact OD1-CB 3.5Å; N40-L42 PolarHBondContact OD1-N 3.38Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.02Å; L42-T45 CarbonylContact O-C 3.6Å; L42-T45 PolarHBondContact O-N 3.45Å; L42-T45 VanDerWaalsContact O-N 3.11Å; L42-M46 HydrophobicContact CB-SD 4.49Å; L42-M46 WeakPolarHBondContact O-CB 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.28Å; L42-M46 PolarHBondContact O-N 3.39Å; L42-I122 HydrophobicContact CD2-CB 3.93Å; L42-I122 HydrophobicContact CD2-CG2 3.3Å; L42-I122 HydrophobicContact CG-CG2 3.63Å; L42-Y126 HydrophobicContact CD1-CD2 3.68Å; L42-Y126 HydrophobicContact CD1-CE2 4.38Å; L42-Y126 HydrophobicContact CD1-CG 3.93Å
43L51Low45Very low83 Ų8388.7 Ų88.744%0.43544%0.436SS..Hα-helixtrans-61.7-42.2176.8-138.9105.6000111.2N40 T45 M46 N47N40-L43 HydrophobicContact CB-CB 4.1Å; N40-L43 WeakPolarHBondContact O-CA 3.37Å; N40-L43 WeakPolarHBondContact O-CB 3.35Å; N40-L43 PolarHBondContact O-N 3.02Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 2.83Å; L43-M46 PolarHBondContact O-N 3.12Å; L43-N47 WeakPolarHBondContact O-CB 3.44Å; L43-N47 VanDerWaalsContact O-CG 3.28Å; L43-N47 PolarHBondContact O-N 3.36Å
44K50.8Low44.3Very low69 Ų6986.1 Ų86.130%0.343%0.425SS..Hα-helixtrans-60-42.2173.7-172.9178.9-174.7175.70111.7E33 I39 N40 L42 K48E33-K44 IonicContact OE1-NZ 3.49Å; E33-K44 PolarHBondContact OE1-NZ 3.25Å; E33-K44 IonicContact OE2-NZ 2.82Å; E33-K44 PolarHBondContact OE2-NZ 2.69Å; I39-K44 HydrophobicContact CG2-CB 3.99Å; I39-K44 HydrophobicContact CG2-CD 4.22Å; N40-K44 PolarHBondContact O-N 3.47Å; L42-K44 VanDerWaalsContact C-N 3.32Å; L42-K44 PolarHBondContact O-N 3.02Å; K44-K48 WeakPolarHBondContact O-CB 3.22Å; K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 2.66Å
45T49.3Very low44.1Very low30 Ų3084 Ų8418%0.18442%0.421CS..Hα-helixtrans-69.5-42.5177.8-570000111.5P41 L42 L43 N47 K48 T49 I122P41-T45 WeakPolarHBondContact O-CB 3.41Å; P41-T45 PolarHBondContact O-N 3.45Å; P41-T45 PolarHBondContact O-OG1 3.03Å; L42-T45 CarbonylContact O-C 3.6Å; L42-T45 PolarHBondContact O-N 3.45Å; L42-T45 VanDerWaalsContact O-N 3.11Å; L43-T45 VanDerWaalsContact C-N 3.32Å; L43-T45 PolarHBondContact O-N 2.83Å; T45-N47 VanDerWaalsContact C-N 3.33Å; T45-N47 PolarHBondContact O-N 2.98Å; T45-K48 CarbonylContact O-C 3.58Å; T45-K48 PolarHBondContact O-N 2.9Å; T45-K48 VanDerWaalsContact O-N 3.14Å; T45-T49 PolarHBondContact O-N 3.47Å; T45-T49 PolarHBondContact O-OG1 2.89Å; T45-I122 HydrophobicContact CG2-CD1 3.54Å
46M47.8Very low43.2Very low18 Ų1879.7 Ų79.79%0.08942%0.419CS..Hα-helixtrans-60.1-43177.4-70.916278.600111.4Y18 L22 L42 L43 T49 S50Y18-M46 HydrophobicContact CE2-CE 3.45Å; Y18-M46 VanDerWaalsContact CE2-CE 3.45Å; Y18-M46 HydrophobicContact CE2-CG 4.43Å; Y18-M46 VanDerWaalsContact CZ-CE 3.49Å; Y18-M46 WeakPolarHBondContact OH-CE 3.46Å; L22-M46 HydrophobicContact CD2-CE 3.49Å; L22-M46 VanDerWaalsContact CD2-CE 3.49Å; L22-M46 HydrophobicContact CG-CE 4.32Å; L42-M46 HydrophobicContact CB-SD 4.49Å; L42-M46 WeakPolarHBondContact O-CB 3.29Å; L42-M46 WeakPolarHBondContact O-CG 3.28Å; L42-M46 PolarHBondContact O-N 3.39Å; L43-M46 PolarHBondContact O-N 3.12Å; M46-T49 WeakPolarHBondContact CA-OG1 3.25Å; M46-T49 PolarHBondContact O-N 3.45Å; M46-T49 PolarHBondContact O-OG1 3.42Å; M46-S50 PolarHBondContact O-N 3.45Å
47N46.6Very low42.6Very low93 Ų9380 Ų8050%0.49742%0.42SS..Hα-helixtrans-71-33.4174.6-69.6-13.4000112.5L43 T45 T49 S50L43-N47 WeakPolarHBondContact O-CB 3.44Å; L43-N47 VanDerWaalsContact O-CG 3.28Å; L43-N47 PolarHBondContact O-N 3.36Å; T45-N47 VanDerWaalsContact C-N 3.33Å; T45-N47 PolarHBondContact O-N 2.98Å; N47-T49 VanDerWaalsContact C-N 3.33Å; N47-S50 VanDerWaalsContact O-CB 3.29Å; N47-S50 WeakPolarHBondContact O-CB 3.46Å; N47-S50 PolarHBondContact O-N 3.26Å; N47-S50 PolarHBondContact O-OG 3.01Å
48K43.3Very low42.4Very low148 Ų14873.4 Ų73.464%0.64339%0.394SS*.Hα-helixtrans-69.1-31.5173-81.9-174.4176.7-1720112.3K44 T45 S50K44-K48 WeakPolarHBondContact O-CB 3.22Å; K44-K48 WeakPolarHBondContact O-CG 3.49Å; K44-K48 PolarHBondContact O-N 2.66Å; T45-K48 CarbonylContact O-C 3.58Å; T45-K48 PolarHBondContact O-N 2.9Å; T45-K48 VanDerWaalsContact O-N 3.14Å; K48-S50 PolarHBondContact O-N 3.34Å
49T41.5Very low42.1Very low24 Ų2475.5 Ų75.515%0.14740%0.395CS..G310 helixtrans-71.5-12.117547.40000113.5T45 M46 N47 Y51 M52T45-T49 PolarHBondContact O-N 3.47Å; T45-T49 PolarHBondContact O-OG1 2.89Å; M46-T49 WeakPolarHBondContact CA-OG1 3.25Å; M46-T49 PolarHBondContact O-N 3.45Å; M46-T49 PolarHBondContact O-OG1 3.42Å; N47-T49 VanDerWaalsContact C-N 3.33Å; T49-Y51 PolarHBondContact O-N 2.66Å; T49-M52 PolarHBondContact O-N 3.3Å
50S39.3Very low41.6Very low50 Ų5073.4 Ų73.435%0.3538%0.383SS..G310 helixtrans-60.4-13.7177.3-59.70000114.2M46 N47 K48M46-S50 PolarHBondContact O-N 3.45Å; N47-S50 VanDerWaalsContact O-CB 3.29Å; N47-S50 WeakPolarHBondContact O-CB 3.46Å; N47-S50 PolarHBondContact O-N 3.26Å; N47-S50 PolarHBondContact O-OG 3.01Å; K48-S50 PolarHBondContact O-N 3.34Å
51Y36.4Very low41.1Very low182 Ų18273.4 Ų73.471%0.71438%0.383SS*.G310 helixtrans-119.266.9171.1-54-80.9000108.9T49 N53T49-Y51 PolarHBondContact O-N 2.66Å; Y51-N53 PolarHBondContact O-N 2.93Å
52M33.1Very low40.7Very low71 Ų7176.5 Ų76.535%0.3540%0.398SS..  trans-56.691.6146.6-66.7-163-172.900105.7T49 L54T49-M52 PolarHBondContact O-N 3.3Å; M52-L54 HydrophobicContact CB-CD1 3.98Å; M52-L54 HydrophobicContact CB-CG 4.32Å; M52-L54 PolarHBondContact O-N 2.85Å; M52-L54 HydrophobicContact SD-CD1 4.14Å
53N31.4Very low40.3Very low147 Ų14780.6 Ų80.679%0.78642%0.416SS*.  trans-6365.6169.4-85.8-14.3000108.5Y51Y51-N53 PolarHBondContact O-N 2.93Å
54L30.9Very low39.7Very low39 Ų3979.1 Ų79.120%0.20441%0.409CS..  trans-99.9125.4168.7-79166.4000103.6M52 L61 Y107M52-L54 HydrophobicContact CB-CD1 3.98Å; M52-L54 HydrophobicContact CB-CG 4.32Å; M52-L54 PolarHBondContact O-N 2.85Å; M52-L54 HydrophobicContact SD-CD1 4.14Å; L54-L61 HydrophobicContact CB-CD1 4.3Å; L54-L61 HydrophobicContact CB-CD2 3.7Å; L54-L61 HydrophobicContact CD1-CD1 3.55Å; L54-L61 HydrophobicContact CD1-CD2 3.98Å; L54-L61 HydrophobicContact CD1-CG 4.35Å; L54-L61 HydrophobicContact CG-CD2 4.45Å; L54-Y107 HydrophobicContact CD2-CE1 4.31Å
55S32.9Very low39.1Very low89 Ų8979.6 Ų79.662%0.62242%0.415SS*.  trans-39.6129.6173.9166.70000109.4N57S55-N57 PolarHBondContact O-N 2.85Å
56P33.9Very low38.6Very low121 Ų12181.9 Ų81.979%0.78643%0.429SS*.SBendtrans-612-172.720.9-31000114.5S58P56-S58 VanDerWaalsContact C-N 3.26Å; P56-S58 PolarHBondContact O-N 3.46Å
57N37Very low38.2Very low155 Ų15582.5 Ų82.583%0.82943%0.432SS*.  trans-84.826.6-176.8-111.7-3.3000115.7S55S55-N57 PolarHBondContact O-N 2.85Å
58S42.2Very low37.7Very low15 Ų1581.1 Ų81.111%0.10542%0.421CS..  trans-123.5103.8168.268.30000110.7P56 F60 L61P56-S58 VanDerWaalsContact C-N 3.26Å; P56-S58 PolarHBondContact O-N 3.46Å; S58-F60 PolarHBondContact O-N 2.7Å; S58-L61 WeakPolarHBondContact O-CB 3.26Å; S58-L61 PolarHBondContact O-N 3.3Å; S58-L61 WeakPolarHBondContact OG-CD1 3.25Å
59F40.1Very low37.2Very low123 Ų12381.4 Ų81.454%0.53942%0.419SS..Hα-helixtrans-41.7-28.8167.2-177.5-95.4000113.7L61 H63 L97F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 2.65Å; F59-H63 AromaticContact CE1-CE1 3.47Å; F59-H63 VanDerWaalsContact CE1-CE1 3.47Å; F59-H63 WeakPolarHBondContact CE1-CE1 3.11Å; F59-H63 AromaticContact CE1-ND1 3.9Å; F59-H63 AromaticContact CE2-CE1 3.95Å; F59-H63 AromaticContact CZ-CE1 3.42Å; F59-H63 VanDerWaalsContact CZ-CE1 3.42Å; F59-H63 WeakPolarHBondContact CZ-CE1 2.94Å; F59-H63 PolarHBondContact O-N 3.2Å; F59-H63 PolarHBondContact O-ND1 2.94Å; F59-L97 HydrophobicContact CD1-CD2 4.13Å; F59-L97 HydrophobicContact CD1-CG 4.44Å
60F38.5Very low36.7Very low27 Ų2784.4 Ų84.412%0.11843%0.434CS..Hα-helixtrans-63.1-32.6174.7-134.5-89.3000114.1N7 I11 S58 L64 L94 L97N7-F60 HydrophobicContact CB-CE2 4.13Å; N7-F60 HydrophobicContact CB-CZ 3.73Å; I11-F60 HydrophobicContact CD1-CE1 3.47Å; I11-F60 VanDerWaalsContact CD1-CE1 3.47Å; I11-F60 HydrophobicContact CD1-CZ 3.43Å; I11-F60 VanDerWaalsContact CD1-CZ 3.43Å; I11-F60 HydrophobicContact CG1-CE1 3.53Å; I11-F60 HydrophobicContact CG1-CZ 3.97Å; S58-F60 PolarHBondContact O-N 2.7Å; F60-L64 HydrophobicContact CD1-CD1 4.29Å; F60-L64 PolarHBondContact O-N 3.1Å; F60-L64 VanDerWaalsContact O-N 3.11Å; F60-L94 HydrophobicContact CD2-CD2 4.43Å; F60-L94 HydrophobicContact CE2-CD2 3.4Å; F60-L94 HydrophobicContact CZ-CD2 3.89Å; F60-L97 HydrophobicContact CD2-CD2 4.49Å
61L39Very low36.6Very low21 Ų2184.4 Ų84.411%0.1143%0.43CS..Hα-helixtrans-77.6-42.7-177.9-122.285.6000112.2L54 S58 F59 H63 L64 N65L54-L61 HydrophobicContact CB-CD1 4.3Å; L54-L61 HydrophobicContact CB-CD2 3.7Å; L54-L61 HydrophobicContact CD1-CD1 3.55Å; L54-L61 HydrophobicContact CD1-CD2 3.98Å; L54-L61 HydrophobicContact CD1-CG 4.35Å; L54-L61 HydrophobicContact CG-CD2 4.45Å; S58-L61 WeakPolarHBondContact O-CB 3.26Å; S58-L61 PolarHBondContact O-N 3.3Å; S58-L61 WeakPolarHBondContact OG-CD1 3.25Å; F59-L61 VanDerWaalsContact C-N 3.33Å; F59-L61 PolarHBondContact O-N 2.65Å; L61-H63 PolarHBondContact O-N 3.02Å; L61-L64 PolarHBondContact O-N 2.93Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L61-N65 WeakPolarHBondContact O-CB 3.45Å; L61-N65 PolarHBondContact O-N 3.17Å
62D39Very low36.5Very low99 Ų9979 Ų7953%0.52942%0.416SS..Hα-helixtrans-57.5-37.5174.5-75.3-16.1000110.3N65 T66D62-N65 PolarHBondContact O-N 2.76Å; D62-T66 VanDerWaalsContact O-CB 3.26Å; D62-T66 WeakPolarHBondContact O-CB 3.11Å; D62-T66 PolarHBondContact O-N 3.49Å; D62-T66 PolarHBondContact O-OG1 3.35Å
63H41.5Very low36.3Very low88 Ų8883.2 Ų83.241%0.40743%0.432SS..Hα-helixtrans-68.2-45.8175.2-7869.3000112.6F59 L61 N65 T66 D67F59-H63 AromaticContact CE1-CE1 3.47Å; F59-H63 VanDerWaalsContact CE1-CE1 3.47Å; F59-H63 WeakPolarHBondContact CE1-CE1 3.11Å; F59-H63 AromaticContact CE1-ND1 3.9Å; F59-H63 AromaticContact CE2-CE1 3.95Å; F59-H63 AromaticContact CZ-CE1 3.42Å; F59-H63 VanDerWaalsContact CZ-CE1 3.42Å; F59-H63 WeakPolarHBondContact CZ-CE1 2.94Å; F59-H63 PolarHBondContact O-N 3.2Å; F59-H63 PolarHBondContact O-ND1 2.94Å; L61-H63 PolarHBondContact O-N 3.02Å; H63-N65 VanDerWaalsContact C-N 3.29Å; H63-N65 PolarHBondContact O-N 3.1Å; H63-T66 PolarHBondContact O-N 2.94Å; H63-D67 VanDerWaalsContact O-CB 3.32Å; H63-D67 WeakPolarHBondContact O-CB 3.3Å; H63-D67 VanDerWaalsContact O-CG 3.26Å; H63-D67 PolarHBondContact O-N 2.9Å
64L39.8Very low36.2Very low53 Ų5382.5 Ų82.528%0.27742%0.424SS..Hα-helixtrans-61.2-37.8175.2-79.3168.5000112.3I11 F60 L61 Y68I11-L64 HydrophobicContact CG1-CD2 4.3Å; I11-L64 HydrophobicContact CG2-CD2 4.32Å; F60-L64 HydrophobicContact CD1-CD1 4.29Å; F60-L64 PolarHBondContact O-N 3.1Å; F60-L64 VanDerWaalsContact O-N 3.11Å; L61-L64 PolarHBondContact O-N 2.93Å; L61-L64 VanDerWaalsContact O-N 3.14Å; L64-Y68 WeakPolarHBondContact O-CB 3.37Å; L64-Y68 PolarHBondContact O-N 3.43Å
65N37.6Very low36.3Very low78 Ų7888.5 Ų88.542%0.41745%0.448SS..Hα-helixtrans-72.5-36.3177-76-19.5000112.3L61 D62 H63 Y68 Y69L61-N65 WeakPolarHBondContact O-CB 3.45Å; L61-N65 PolarHBondContact O-N 3.17Å; D62-N65 PolarHBondContact O-N 2.76Å; H63-N65 VanDerWaalsContact C-N 3.29Å; H63-N65 PolarHBondContact O-N 3.1Å; N65-Y68 WeakPolarHBondContact O-CB 3.47Å; N65-Y68 PolarHBondContact O-N 2.7Å; N65-Y69 PolarHBondContact O-N 2.92Å
66T38.9Very low36.4Very low78 Ų7889.9 Ų89.948%0.47945%0.448SS..Hα-helixtrans-69.3-42.7175.7-55.50000110.5D62 H63 Y68 Y69 L70D62-T66 VanDerWaalsContact O-CB 3.26Å; D62-T66 WeakPolarHBondContact O-CB 3.11Å; D62-T66 PolarHBondContact O-N 3.49Å; D62-T66 PolarHBondContact O-OG1 3.35Å; H63-T66 PolarHBondContact O-N 2.94Å; T66-Y68 VanDerWaalsContact C-N 3.31Å; T66-Y68 PolarHBondContact O-N 3.21Å; T66-Y69 PolarHBondContact O-N 2.89Å; T66-L70 HydrophobicContact CG2-CD1 4.04Å; T66-L70 PolarHBondContact O-N 3.19Å
67D38.8Very low36.2Very low32 Ų3289.7 Ų89.717%0.17144%0.439CS..Hα-helixtrans-61.2-39.4171.6-74.4-33.7000111.5H63 Y69 N71 R90H63-D67 VanDerWaalsContact O-CB 3.32Å; H63-D67 WeakPolarHBondContact O-CB 3.3Å; H63-D67 VanDerWaalsContact O-CG 3.26Å; H63-D67 PolarHBondContact O-N 2.9Å; D67-Y69 VanDerWaalsContact C-N 3.31Å; D67-Y69 PolarHBondContact O-N 2.97Å; D67-N71 WeakPolarHBondContact O-CB 3.23Å; D67-N71 PolarHBondContact O-N 3.43Å; D67-R90 IonicContact OD1-CZ 2.68Å; D67-R90 IonicContact OD1-NH2 2.66Å; D67-R90 PolarHBondContact OD1-NH2 3.49Å; D67-R90 IonicContact OD2-CZ 3.45Å; D67-R90 IonicContact OD2-NE 3.81Å; D67-R90 PolarHBondContact OD2-NE 2.93Å; D67-R90 IonicContact OD2-NH2 3.23Å; D67-R90 PolarHBondContact OD2-NH2 3.35Å
68Y37.1Very low36Very low64 Ų6490.3 Ų90.325%0.25144%0.437SS..Hα-helixtrans-59.3-40.1173.6171.5-91.7000112.1Y18 L64 N65 T66 T72Y18-Y68 HydrophobicContact CE2-CE2 4.19Å; Y18-Y68 AromaticContact CZ-CE2 3.99Å; L64-Y68 WeakPolarHBondContact O-CB 3.37Å; L64-Y68 PolarHBondContact O-N 3.43Å; N65-Y68 WeakPolarHBondContact O-CB 3.47Å; N65-Y68 PolarHBondContact O-N 2.7Å; T66-Y68 VanDerWaalsContact C-N 3.31Å; T66-Y68 PolarHBondContact O-N 3.21Å; Y68-T72 PolarHBondContact O-N 3.25Å; Y68-T72 PolarHBondContact O-OG1 2.87Å
69Y31.7Very low35.7Very low154 Ų15495 Ų9560%0.60446%0.461SS*.Hα-helixtrans-77.5-38.2-179.2-148-89000112.9N65 T66 D67 T72 K73N65-Y69 PolarHBondContact O-N 2.92Å; T66-Y69 PolarHBondContact O-N 2.89Å; D67-Y69 VanDerWaalsContact C-N 3.31Å; D67-Y69 PolarHBondContact O-N 2.97Å; Y69-T72 PolarHBondContact O-OG1 3.18Å; Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 PolarHBondContact O-N 3.25Å
70L32.2Very low35.4Very low87 Ų8794.3 Ų94.346%0.45546%0.462SS..Hα-helixtrans-70.8-46.9179.1-81.4159.6000111.9T66 T72 K73 E74T66-L70 HydrophobicContact CG2-CD1 4.04Å; T66-L70 PolarHBondContact O-N 3.19Å; L70-T72 VanDerWaalsContact C-N 3.29Å; L70-T72 PolarHBondContact O-N 3.39Å; L70-K73 PolarHBondContact O-N 3.39Å; L70-E74 PolarHBondContact O-N 2.99Å
71N36.2Very low35.2Very low50 Ų50103 Ų10327%0.26750%0.496SS..Hα-helixtrans-70.1-21.6-178.8-89.3-11.9000114.2D67D67-N71 WeakPolarHBondContact O-CB 3.23Å; D67-N71 PolarHBondContact O-N 3.43Å
72T34Very low35.3Very low68 Ų68104 Ų10442%0.41750%0.504SS..Hα-helixtrans-81.6-27174.7390000112.7Y18 Y68 Y69 L70Y18-T72 HydrophobicContact CE1-CG2 3.79Å; Y18-T72 WeakPolarHBondContact OH-CG2 3.31Å; Y68-T72 PolarHBondContact O-N 3.25Å; Y68-T72 PolarHBondContact O-OG1 2.87Å; Y69-T72 PolarHBondContact O-OG1 3.18Å; L70-T72 VanDerWaalsContact C-N 3.29Å; L70-T72 PolarHBondContact O-N 3.39Å
73K30Very low35.2Very low160 Ų160100.6 Ų100.670%0.69649%0.485SS*.Hα-helixtrans-90.5-37-179.7-124.8-178.9-178.3-1780112.8Y69 L70 K75Y69-K73 HydrophobicContact CE1-CD 4.45Å; Y69-K73 PolarHBondContact O-N 3.25Å; L70-K73 PolarHBondContact O-N 3.39Å; K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.39Å
74E28.5Very low35Very low131 Ų131104.8 Ų104.861%0.61250%0.502SS*.SBendtrans-80.885.8175-72.8-173.2161.600109.9L70L70-E74 PolarHBondContact O-N 2.99Å
75K32.8Very low35.2Very low165 Ų165105.6 Ų105.672%0.71751%0.512SS*.  trans19.8106.7153.3-81.3176.8171.7178.40115.6K73 I77K73-K75 VanDerWaalsContact C-N 3.34Å; K73-K75 PolarHBondContact O-N 3.39Å; K75-I77 HydrophobicContact CB-CB 4.48Å; K75-I77 HydrophobicContact CD-CD1 4.47Å; K75-I77 HydrophobicContact CG-CD1 4.44Å; K75-I77 PolarHBondContact O-N 3.38Å
76L35.4Very low35.4Very low119 Ų119104.5 Ų104.562%0.62351%0.505SS*.THydrogen-bonded Turntrans-37.85.7158.4-13699.4000117.9L22L22-L76 HydrophobicContact CB-CD1 4.34Å; L22-L76 HydrophobicContact CD1-CD1 4.49Å
77I29Very low35.5Very low116 Ų116102.6 Ų102.660%0.59549%0.491SS*.THydrogen-bonded Turntrans-98.3-34.5-154.2-69.3176.4000115K75K75-I77 HydrophobicContact CB-CB 4.48Å; K75-I77 HydrophobicContact CD-CD1 4.47Å; K75-I77 HydrophobicContact CG-CD1 4.44Å; K75-I77 PolarHBondContact O-N 3.38Å
78E34.5Very low35.8Very low168 Ų168108.6 Ų108.679%0.78552%0.516SS*.SBendtrans-150-9-175.7-105.7156.1-160.800117.1L80E78-L80 PolarHBondContact O-N 3.08Å
79D35.1Very low36.3Very low114 Ų114111.6 Ų111.661%0.6153%0.532SS*.  trans-10659.8-156.9-80.3-36.7000115.3Y81 P82D79-Y81 PolarHBondContact O-N 2.72Å; D79-P82 VanDerWaalsContact C-CD 3.49Å; D79-P82 VanDerWaalsContact CB-CD 3.48Å; D79-P82 HydrophobicContact CB-CG 3.73Å; D79-P82 WeakPolarHBondContact O-CD 3.4Å
80L33.7Very low36.7Very low108 Ų108105.6 Ų105.657%0.56551%0.508SS*.SBendtrans-68-13.4156.6-100.1155.9000111.7R23 E78 L83R23-L80 VanDerWaalsContact NH2-CD1 3.33Å; E78-L80 PolarHBondContact O-N 3.08Å; L80-L83 HydrophobicContact CD2-CD1 4.23Å
81Y34.3Very low37.3Very low210 Ų210105 Ų10582%0.82450%0.503SS*.SBendtrans-75.5-36.2-175.3-137.1-94.3000115.3D79 L83D79-Y81 PolarHBondContact O-N 2.72Å; Y81-L83 PolarHBondContact O-N 2.84Å
82P40.3Very low37.9Very low42 Ų42108.5 Ų108.527%0.27352%0.518SS..Hα-helixtrans-71.8-15176.5-17.132.3000113.7D79 K84 S85 Q86D79-P82 VanDerWaalsContact C-CD 3.49Å; D79-P82 VanDerWaalsContact CB-CD 3.48Å; D79-P82 HydrophobicContact CB-CG 3.73Å; D79-P82 WeakPolarHBondContact O-CD 3.4Å; P82-K84 PolarHBondContact O-N 3.25Å; P82-S85 PolarHBondContact O-N 3.3Å; P82-S85 VanDerWaalsContact O-N 3.14Å; P82-S85 PolarHBondContact O-OG 3.14Å; P82-Q86 WeakPolarHBondContact O-CB 3.2Å; P82-Q86 WeakPolarHBondContact O-CG 3.39Å; P82-Q86 PolarHBondContact O-N 2.92Å
83L37.7Very low38.4Very low27 Ų27112.5 Ų112.514%0.14153%0.526CS..Hα-helixtrans-58.3-35.6179.2-119.5138.8000111.3L80 Y81 L87L80-L83 HydrophobicContact CD2-CD1 4.23Å; Y81-L83 PolarHBondContact O-N 2.84Å; L83-L87 HydrophobicContact CD2-CD1 4.33Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 WeakPolarHBondContact O-CD1 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 3.35Å
84K37.9Very low39.1Very low177 Ų177105.7 Ų105.777%0.7750%0.497SS*.Hα-helixtrans-70.6-40178.3-163.3176.3-176.9-179.70112.6P82 K88P82-K84 PolarHBondContact O-N 3.25Å; K84-K88 PolarHBondContact O-N 3.33Å
85S42.7Very low40Very low70 Ų70106.3 Ų106.349%0.4950%0.498SS..Hα-helixtrans-70.5-41.6178.263.40000111.1P82 K88 Q89P82-S85 PolarHBondContact O-N 3.3Å; P82-S85 VanDerWaalsContact O-N 3.14Å; P82-S85 PolarHBondContact O-OG 3.14Å; S85-K88 WeakPolarHBondContact O-CB 3.49Å; S85-K88 PolarHBondContact O-N 3.36Å; S85-Q89 PolarHBondContact O-N 2.77Å
86Q43.4Very low40.8Very low55 Ų55104.3 Ų104.326%0.25750%0.495SS..Hα-helixtrans-62.1-42.8174.2-72-177.8-9.200111.7P82 K88 Q89 R90P82-Q86 WeakPolarHBondContact O-CB 3.2Å; P82-Q86 WeakPolarHBondContact O-CG 3.39Å; P82-Q86 PolarHBondContact O-N 2.92Å; Q86-K88 VanDerWaalsContact C-N 3.26Å; Q86-K88 PolarHBondContact O-N 3.45Å; Q86-Q89 PolarHBondContact O-N 2.89Å; Q86-R90 WeakPolarHBondContact O-CB 3.32Å; Q86-R90 VanDerWaalsContact O-CG 3.24Å; Q86-R90 WeakPolarHBondContact O-CG 3.3Å; Q86-R90 PolarHBondContact O-N 2.71Å
87L40.9Very low41.2Very low37 Ų37100.4 Ų100.419%0.19448%0.475CS..Hα-helixtrans-60.9-35.4175.3-75.3170.4000112.6L8 T12 L83 R90 Q91L8-L87 HydrophobicContact CD1-CD2 3.87Å; L8-L87 HydrophobicContact CD2-CD2 4.39Å; L8-L87 HydrophobicContact CG-CD2 3.98Å; T12-L87 VanDerWaalsContact OG1-CD2 3.32Å; T12-L87 WeakPolarHBondContact OG1-CD2 3.49Å; L83-L87 HydrophobicContact CD2-CD1 4.33Å; L83-L87 WeakPolarHBondContact O-CB 3.36Å; L83-L87 WeakPolarHBondContact O-CD1 3.38Å; L83-L87 WeakPolarHBondContact O-CG 3.38Å; L83-L87 PolarHBondContact O-N 3.35Å; L87-R90 PolarHBondContact O-N 3.18Å; L87-Q91 PolarHBondContact O-N 2.84Å
88K44.4Very low41.8Very low159 Ų15999.5 Ų99.569%0.69148%0.476SS*.Hα-helixtrans-69.9-42.3177.6-153.5-179.5-175.4-174.70111.8K84 S85 Q86 Q91 H92K84-K88 PolarHBondContact O-N 3.33Å; S85-K88 WeakPolarHBondContact O-CB 3.49Å; S85-K88 PolarHBondContact O-N 3.36Å; Q86-K88 VanDerWaalsContact C-N 3.26Å; Q86-K88 PolarHBondContact O-N 3.45Å; K88-Q91 PolarHBondContact O-N 3.44Å; K88-H92 PolarHBondContact O-N 3.39Å
89Q46.8Very low42.4Very low127 Ų12798.7 Ų98.759%0.59348%0.476SS*.Hα-helixtrans-61.9-44.6171.1-78.4-177.8-800111.1S85 Q86 Q91 H92 Y93S85-Q89 PolarHBondContact O-N 2.77Å; Q86-Q89 PolarHBondContact O-N 2.89Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q89-Q91 PolarHBondContact O-N 2.9Å; Q89-H92 WeakPolarHBondContact O-CA 3.14Å; Q89-H92 WeakPolarHBondContact O-CB 3.38Å; Q89-H92 PolarHBondContact O-N 3.33Å; Q89-Y93 HydrophobicContact CB-CE2 4.38Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.31Å; Q89-Y93 PolarHBondContact O-N 2.91Å; Q89-Y93 VanDerWaalsContact O-N 3.13Å
90R40.7Very low42.7Very low27 Ų27102.2 Ų102.210%0.10249%0.486CS..Hα-helixtrans-59.1-39.8177.3-74.6176.6-17914710.4112.5L8 D67 Q86 L87 H92 Y93 L94L8-R90 HydrophobicContact CD1-CB 3.82Å; D67-R90 IonicContact OD1-CZ 2.68Å; D67-R90 IonicContact OD1-NH2 2.66Å; D67-R90 PolarHBondContact OD1-NH2 3.49Å; D67-R90 IonicContact OD2-CZ 3.45Å; D67-R90 IonicContact OD2-NE 3.81Å; D67-R90 PolarHBondContact OD2-NE 2.93Å; D67-R90 IonicContact OD2-NH2 3.23Å; D67-R90 PolarHBondContact OD2-NH2 3.35Å; Q86-R90 WeakPolarHBondContact O-CB 3.32Å; Q86-R90 VanDerWaalsContact O-CG 3.24Å; Q86-R90 WeakPolarHBondContact O-CG 3.3Å; Q86-R90 PolarHBondContact O-N 2.71Å; L87-R90 PolarHBondContact O-N 3.18Å; R90-H92 PolarHBondContact O-N 3.25Å; R90-Y93 PolarHBondContact O-N 2.83Å; R90-L94 WeakPolarHBondContact O-CB 3.33Å; R90-L94 WeakPolarHBondContact O-CG 3.32Å; R90-L94 PolarHBondContact O-N 3.49Å
91Q45.1Very low43.2Very low74 Ų74100.3 Ų100.335%0.34648%0.482SS..Hα-helixtrans-59.3-34.2173.5-91.4-172.5-7.500113L8 L87 K88 Q89L8-Q91 HydrophobicContact CD1-CG 4.33Å; L8-Q91 HydrophobicContact CD2-CG 3.82Å; L87-Q91 PolarHBondContact O-N 2.84Å; K88-Q91 PolarHBondContact O-N 3.44Å; Q89-Q91 VanDerWaalsContact C-N 3.33Å; Q89-Q91 PolarHBondContact O-N 2.9Å
92H47.8Very low43.5Very low124 Ų124101 Ų10157%0.57449%0.485SS*.Hα-helixtrans-71.3-49.3178.6-146.3-68.1000110.9K88 Q89 R90 L94 K95K88-H92 PolarHBondContact O-N 3.39Å; Q89-H92 WeakPolarHBondContact O-CA 3.14Å; Q89-H92 WeakPolarHBondContact O-CB 3.38Å; Q89-H92 PolarHBondContact O-N 3.33Å; R90-H92 PolarHBondContact O-N 3.25Å; H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.31Å; H92-K95 WeakPolarHBondContact O-CB 3.38Å; H92-K95 PolarHBondContact O-N 2.87Å; H92-K95 VanDerWaalsContact O-N 3.12Å
93Y46.3Very low43.8Very low152 Ų152101.6 Ų101.660%0.59649%0.485SS*.Hα-helixtrans-62.8-35.8178.4-71.7-70000113.2Q89 R90 K95 D96Q89-Y93 HydrophobicContact CB-CE2 4.38Å; Q89-Y93 WeakPolarHBondContact O-CD2 3.31Å; Q89-Y93 PolarHBondContact O-N 2.91Å; Q89-Y93 VanDerWaalsContact O-N 3.13Å; R90-Y93 PolarHBondContact O-N 2.83Å; Y93-K95 PolarHBondContact O-N 2.73Å; Y93-D96 PolarHBondContact O-N 2.85Å; Y93-D96 VanDerWaalsContact O-N 3.15Å
94L43.6Very low44.4Very low17 Ų17104.8 Ų104.89%0.08950%0.502CS..Hα-helixtrans-65.9-21.6177.1-70.9176.8000113.7I4 N7 L8 F60 R90 H92 D96 L97I4-L94 HydrophobicContact CG1-CB 4.39Å; I4-L94 HydrophobicContact CG2-CB 3.76Å; I4-L94 HydrophobicContact CG2-CD1 4.01Å; N7-L94 HydrophobicContact CB-CD1 4.43Å; L8-L94 HydrophobicContact CB-CD1 4.11Å; L8-L94 HydrophobicContact CD1-CD1 3.93Å; F60-L94 HydrophobicContact CD2-CD2 4.43Å; F60-L94 HydrophobicContact CE2-CD2 3.4Å; F60-L94 HydrophobicContact CZ-CD2 3.89Å; R90-L94 WeakPolarHBondContact O-CB 3.33Å; R90-L94 WeakPolarHBondContact O-CG 3.32Å; R90-L94 PolarHBondContact O-N 3.49Å; H92-L94 VanDerWaalsContact C-N 3.31Å; H92-L94 PolarHBondContact O-N 3.31Å; L94-D96 VanDerWaalsContact C-N 3.3Å; L94-L97 HydrophobicContact CD2-CD1 3.72Å
95K48Very low44.8Very low145 Ų14599.3 Ų99.363%0.6348%0.479SS*.Hα-helixtrans-69.8-30.1174-74.2178.4177.4-177.70112.2I4 H92 Y93I4-K95 HydrophobicContact CD1-CB 4.48Å; I4-K95 HydrophobicContact CD1-CG 3.86Å; H92-K95 WeakPolarHBondContact O-CB 3.38Å; H92-K95 PolarHBondContact O-N 2.87Å; H92-K95 VanDerWaalsContact O-N 3.12Å; Y93-K95 PolarHBondContact O-N 2.73Å
96D49Very low45.1Very low122 Ų12298.5 Ų98.565%0.65247%0.473SS*.SBendtrans-91.4-1.3-173.3-58.9-32.4000112.9Y93 L94Y93-D96 PolarHBondContact O-N 2.85Å; Y93-D96 VanDerWaalsContact O-N 3.15Å; L94-D96 VanDerWaalsContact C-N 3.3Å
97L44.6Very low45.5Very low38 Ų38101.3 Ų101.320%0.19948%0.482CS..SBendtrans-71.3132.9177-94.4115.6000111.5F59 F60 L94 I99F59-L97 HydrophobicContact CD1-CD2 4.13Å; F59-L97 HydrophobicContact CD1-CG 4.44Å; F60-L97 HydrophobicContact CD2-CD2 4.49Å; L94-L97 HydrophobicContact CD2-CD1 3.72Å; L97-I99 PolarHBondContact O-N 3.22Å; L97-I99 VanDerWaalsContact O-N 3.07Å
98P42Very low46Very low96 Ų96101 Ų10162%0.62348%0.481SS*.  trans-61.7117.717523.4-30.8000109.7K100 S101P98-K100 PolarHBondContact O-N 2.88Å; P98-S101 PolarHBondContact O-N 3.43Å
99I45.9Very low46.3Very low152 Ų15296.2 Ų96.278%0.77947%0.465SS*.THydrogen-bonded Turntrans-53.7-13.6-178.4-61.2169.5000112.9L97L97-I99 PolarHBondContact O-N 3.22Å; L97-I99 VanDerWaalsContact O-N 3.07Å
100K41.2Very low46.6Very low187 Ų18797 Ų9781%0.81347%0.466SS*.THydrogen-bonded Turntrans-83.2-6.2-176.6-69.8-172177.9-178.60115.8P98 Y102P98-K100 PolarHBondContact O-N 2.88Å; K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.42Å
101S44.5Very low47.3Very low69 Ų6999 Ų9948%0.48347%0.474SS..  trans-74.186.1170.970.60000109.5P98 I103P98-S101 PolarHBondContact O-N 3.43Å; S101-I103 PolarHBondContact O-N 2.88Å
102Y40.2Very low47.7Very low225 Ų22597.1 Ų97.188%0.88247%0.467SS*.  trans-67.853.1176.2-103.9-92.5000111.7K100 D104K100-Y102 VanDerWaalsContact C-N 3.26Å; K100-Y102 PolarHBondContact O-N 3.42Å; Y102-D104 PolarHBondContact O-N 3.39Å
103I46.3Very low48Very low53 Ų5395.4 Ų95.427%0.27246%0.462SS..  trans-73.1113.4162.5-50.2174.6000105S101 Q105 L108S101-I103 PolarHBondContact O-N 2.88Å; I103-Q105 PolarHBondContact O-N 3.15Å; I103-L108 HydrophobicContact CB-CD1 4.05Å; I103-L108 HydrophobicContact CG2-CD1 3.45Å; I103-L108 VanDerWaalsContact CG2-CD1 3.45Å; I103-L108 HydrophobicContact CG2-CD2 4.01Å; I103-L108 HydrophobicContact CG2-CG 3.53Å
104D50.2Low48.5Very low95 Ų9590.9 Ų90.951%0.50846%0.456SS..  trans-52.6106.9175.8179.2-4.6000108.3Y102 S106 Y107 L108Y102-D104 PolarHBondContact O-N 3.39Å; D104-S106 VanDerWaalsContact CG-OG 3.22Å; D104-S106 PolarHBondContact O-N 2.99Å; D104-S106 WeakPolarHBondContact OD1-CA 3.28Å; D104-S106 WeakPolarHBondContact OD1-CB 3.17Å; D104-S106 PolarHBondContact OD1-N 3.25Å; D104-S106 PolarHBondContact OD1-OG 2.97Å; D104-S106 PolarHBondContact OD2-OG 3.22Å; D104-S106 VanDerWaalsContact OD2-OG 3.1Å; D104-Y107 WeakPolarHBondContact O-CA 3.35Å; D104-Y107 VanDerWaalsContact O-CB 3.28Å; D104-Y107 WeakPolarHBondContact O-CB 3.32Å; D104-Y107 PolarHBondContact O-N 3.4Å; D104-L108 PolarHBondContact O-N 3.37Å; D104-L108 VanDerWaalsContact O-N 3.1Å
105Q47.7Very low49.2Very low62 Ų6291.7 Ų91.729%0.2946%0.461SS..Hα-helixtrans-59.3-31.3-177-68.3-176.4-42.300110.4K3 N7 I103 Y107 L108 V109K3-Q105 PolarHBondContact O-NE2 3.18Å; N7-Q105 PolarHBondContact OD1-NE2 3.01Å; I103-Q105 PolarHBondContact O-N 3.15Å; Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 PolarHBondContact O-N 3.42Å; Q105-L108 PolarHBondContact O-N 2.93Å; Q105-V109 VanDerWaalsContact O-CG2 3.25Å; Q105-V109 WeakPolarHBondContact O-CG2 3.42Å; Q105-V109 PolarHBondContact O-N 3.16Å
106S49.4Very low49.8Very low52 Ų5288.6 Ų88.636%0.36445%0.445SS..Hα-helixtrans-65.4-37.8175.786.20000111.4D104 K110D104-S106 VanDerWaalsContact CG-OG 3.22Å; D104-S106 PolarHBondContact O-N 2.99Å; D104-S106 WeakPolarHBondContact OD1-CA 3.28Å; D104-S106 WeakPolarHBondContact OD1-CB 3.17Å; D104-S106 PolarHBondContact OD1-N 3.25Å; D104-S106 PolarHBondContact OD1-OG 2.97Å; D104-S106 PolarHBondContact OD2-OG 3.22Å; D104-S106 VanDerWaalsContact OD2-OG 3.1Å; S106-K110 VanDerWaalsContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 WeakPolarHBondContact O-CG 3.25Å; S106-K110 PolarHBondContact O-N 3.19Å
107Y51.3Low50.2Low115 Ų11589.9 Ų89.945%0.45145%0.445SS..Hα-helixtrans-64.9-45175177-93.9000111.3L54 D104 Q105 K110 R111L54-Y107 HydrophobicContact CD2-CE1 4.31Å; D104-Y107 WeakPolarHBondContact O-CA 3.35Å; D104-Y107 VanDerWaalsContact O-CB 3.28Å; D104-Y107 WeakPolarHBondContact O-CB 3.32Å; D104-Y107 PolarHBondContact O-N 3.4Å; Q105-Y107 VanDerWaalsContact C-N 3.32Å; Q105-Y107 PolarHBondContact O-N 3.42Å; Y107-K110 PolarHBondContact O-N 2.84Å; Y107-R111 VanDerWaalsContact O-CB 3.26Å; Y107-R111 WeakPolarHBondContact O-CB 3.42Å; Y107-R111 PolarHBondContact O-N 3.11Å; Y107-R111 PolarHBondContact OH-NH1 3.38Å
108L50.6Low51Low30 Ų3094 Ų9416%0.15746%0.461CS..Hα-helixtrans-61.6-47.8176.2-76.5172.2000112I103 D104 Q105 R111 V112I103-L108 HydrophobicContact CB-CD1 4.05Å; I103-L108 HydrophobicContact CG2-CD1 3.45Å; I103-L108 VanDerWaalsContact CG2-CD1 3.45Å; I103-L108 HydrophobicContact CG2-CD2 4.01Å; I103-L108 HydrophobicContact CG2-CG 3.53Å; D104-L108 PolarHBondContact O-N 3.37Å; D104-L108 VanDerWaalsContact O-N 3.1Å; Q105-L108 PolarHBondContact O-N 2.93Å; L108-R111 PolarHBondContact O-N 3Å; L108-V112 WeakPolarHBondContact O-CG2 3.35Å; L108-V112 PolarHBondContact O-N 2.95Å
109V51.2Low51.8Low59 Ų5990.7 Ų90.736%0.35844%0.436SS..Hα-helixtrans-59.2-49.7177.3172.80000110.6I10 Q105 R111 V112 L113I10-V109 HydrophobicContact CD1-CG2 3.39Å; I10-V109 HydrophobicContact CG1-CG2 3.7Å; Q105-V109 VanDerWaalsContact O-CG2 3.25Å; Q105-V109 WeakPolarHBondContact O-CG2 3.42Å; Q105-V109 PolarHBondContact O-N 3.16Å; V109-R111 PolarHBondContact O-N 3.39Å; V109-V112 PolarHBondContact O-N 3.28Å; V109-L113 HydrophobicContact CG1-CD1 3.76Å; V109-L113 HydrophobicContact CG1-CG 4.35Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 VanDerWaalsContact O-CG 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.29Å; V109-L113 PolarHBondContact O-N 2.94Å
110K53.6Low52.6Low143 Ų14386.5 Ų86.562%0.62241%0.414SS*.Hα-helixtrans-58-39.5177.8-77172.4-179.2174.50111.5S106 Y107 A114S106-K110 VanDerWaalsContact O-CB 3.3Å; S106-K110 WeakPolarHBondContact O-CB 3.43Å; S106-K110 WeakPolarHBondContact O-CG 3.25Å; S106-K110 PolarHBondContact O-N 3.19Å; Y107-K110 PolarHBondContact O-N 2.84Å; K110-A114 WeakPolarHBondContact O-CB 3.43Å; K110-A114 PolarHBondContact O-N 2.94Å
111R54.2Low53.5Low69 Ų6980.5 Ų80.526%0.2640%0.399SS..Hα-helixtrans-70.5-43.7-179.8-170.7169.4178.5152.1-4.5112.4Y107 L108 V109 L113 A114 D115Y107-R111 VanDerWaalsContact O-CB 3.26Å; Y107-R111 WeakPolarHBondContact O-CB 3.42Å; Y107-R111 PolarHBondContact O-N 3.11Å; Y107-R111 PolarHBondContact OH-NH1 3.38Å; L108-R111 PolarHBondContact O-N 3Å; V109-R111 PolarHBondContact O-N 3.39Å; R111-L113 VanDerWaalsContact C-N 3.33Å; R111-A114 PolarHBondContact O-N 3.15Å; R111-D115 WeakPolarHBondContact O-CB 3.48Å; R111-D115 PolarHBondContact O-N 2.96Å
112V54.4Low54.2Low34 Ų3478.6 Ų78.621%0.20638%0.383CS..Hα-helixtrans-63.5-40.9174.3171.20000110.9I10 A14 L108 V109 D115 Y116I10-V112 HydrophobicContact CG2-CB 4.27Å; I10-V112 HydrophobicContact CG2-CG1 4.47Å; I10-V112 HydrophobicContact CG2-CG2 3.67Å; A14-V112 HydrophobicContact CB-CG1 4.04Å; L108-V112 WeakPolarHBondContact O-CG2 3.35Å; L108-V112 PolarHBondContact O-N 2.95Å; V109-V112 PolarHBondContact O-N 3.28Å; V112-D115 PolarHBondContact O-N 3.4Å; V112-Y116 WeakPolarHBondContact O-CB 3.45Å; V112-Y116 PolarHBondContact O-N 2.88Å
113L53.9Low55.2Low88 Ų8868.2 Ų68.246%0.46134%0.343SS..Hα-helixtrans-64-39.3174-74.7170.6000112.5V109 R111 Y116 K117V109-L113 HydrophobicContact CG1-CD1 3.76Å; V109-L113 HydrophobicContact CG1-CG 4.35Å; V109-L113 WeakPolarHBondContact O-CB 3.47Å; V109-L113 VanDerWaalsContact O-CG 3.32Å; V109-L113 WeakPolarHBondContact O-CG 3.29Å; V109-L113 PolarHBondContact O-N 2.94Å; R111-L113 VanDerWaalsContact C-N 3.33Å; L113-Y116 PolarHBondContact O-N 3.37Å; L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 WeakPolarHBondContact O-CG 3.47Å; L113-K117 PolarHBondContact O-N 3.4Å
114A57.5Low56.1Low58 Ų5868.5 Ų68.548%0.47935%0.353SS..Hα-helixtrans-66-43.3176.200000111.7K110 R111 K117 K118K110-A114 WeakPolarHBondContact O-CB 3.43Å; K110-A114 PolarHBondContact O-N 2.94Å; R111-A114 PolarHBondContact O-N 3.15Å; A114-K117 PolarHBondContact O-N 3.2Å; A114-K118 WeakPolarHBondContact O-CB 3.41Å; A114-K118 PolarHBondContact O-N 3.45Å
115D57.3Low56.7Low34 Ų3467 Ų6718%0.18235%0.345CS..Hα-helixtrans-63.4-43.1175.5-166.757.2000111.2R111 V112 K118 R119R111-D115 WeakPolarHBondContact O-CB 3.48Å; R111-D115 PolarHBondContact O-N 2.96Å; V112-D115 PolarHBondContact O-N 3.4Å; D115-K118 PolarHBondContact O-N 3.09Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.23Å; D115-R119 PolarHBondContact O-N 2.49Å; D115-R119 IonicContact OD1-NE 3.62Å; D115-R119 IonicContact OD1-NH2 2.8Å; D115-R119 IonicContact OD2-CZ 3.89Å; D115-R119 IonicContact OD2-NE 3.34Å; D115-R119 PolarHBondContact OD2-NE 3.31Å; D115-R119 IonicContact OD2-NH2 2.83Å; D115-R119 PolarHBondContact OD2-NH2 3.07Å
116Y60.8Low57.3Low79 Ų7964.7 Ų64.731%0.3133%0.334SS..Hα-helixtrans-57-51.1172.8174.7-113.3000112.3T17 V112 L113 K118 R119 Q120T17-Y116 VanDerWaalsContact CB-CD2 3.42Å; T17-Y116 HydrophobicContact CG2-CD2 3.18Å; T17-Y116 HydrophobicContact CG2-CE2 3.2Å; T17-Y116 HydrophobicContact CG2-CG 4.1Å; V112-Y116 WeakPolarHBondContact O-CB 3.45Å; V112-Y116 PolarHBondContact O-N 2.88Å; L113-Y116 PolarHBondContact O-N 3.37Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 3.15Å; Y116-R119 PolarHBondContact O-N 2.89Å; Y116-Q120 HydrophobicContact CD1-CG 4.38Å; Y116-Q120 HydrophobicContact CD2-CG 4.06Å; Y116-Q120 HydrophobicContact CE1-CG 3.9Å; Y116-Q120 HydrophobicContact CE2-CG 3.58Å; Y116-Q120 HydrophobicContact CG-CG 4.47Å; Y116-Q120 WeakPolarHBondContact O-CG 3.35Å; Y116-Q120 PolarHBondContact O-N 2.92Å; Y116-Q120 PolarHBondContact OH-NE2 2.93Å; Y116-Q120 VanDerWaalsContact OH-NE2 3.09Å
117K57.4Low58Low150 Ų15067.5 Ų67.565%0.65234%0.34SS*.Hα-helixtrans-59.3-41.8178.2-77.4-178.6178.9-172.70111.7L113 A114 Q120 A121L113-K117 WeakPolarHBondContact O-CB 3.47Å; L113-K117 WeakPolarHBondContact O-CG 3.47Å; L113-K117 PolarHBondContact O-N 3.4Å; A114-K117 PolarHBondContact O-N 3.2Å; K117-Q120 PolarHBondContact O-N 3.18Å; K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 2.9Å
118K61Low58.7Low124 Ų12468.1 Ų68.154%0.53935%0.345SS..Hα-helixtrans-62.2-43.7177.2-171.2177.5-178.8-179.80111.4A114 D115 Y116 A121 I122A114-K118 WeakPolarHBondContact O-CB 3.41Å; A114-K118 PolarHBondContact O-N 3.45Å; D115-K118 PolarHBondContact O-N 3.09Å; Y116-K118 VanDerWaalsContact C-N 3.3Å; Y116-K118 PolarHBondContact O-N 3.15Å; K118-A121 PolarHBondContact O-N 3.21Å; K118-I122 HydrophobicContact CG-CD1 4.38Å; K118-I122 WeakPolarHBondContact O-CD1 3.26Å; K118-I122 VanDerWaalsContact O-CG1 3.29Å; K118-I122 WeakPolarHBondContact O-CG1 3.47Å; K118-I122 PolarHBondContact O-N 3.01Å; K118-I122 VanDerWaalsContact O-N 3.15Å
119R58.4Low59.2Low26 Ų2673 Ų7310%0.09836%0.361CS..Hα-helixtrans-65.7-42.8176.9-70.3173.3-166.8-102.63.7112.3L21 D115 Y116 A121 I122 L123L21-R119 HydrophobicContact CD1-CB 3.99Å; L21-R119 HydrophobicContact CD2-CB 4.06Å; L21-R119 HydrophobicContact CD2-CG 4.09Å; D115-R119 VanDerWaalsContact O-CG 3.31Å; D115-R119 WeakPolarHBondContact O-CG 3.23Å; D115-R119 PolarHBondContact O-N 2.49Å; D115-R119 IonicContact OD1-NE 3.62Å; D115-R119 IonicContact OD1-NH2 2.8Å; D115-R119 IonicContact OD2-CZ 3.89Å; D115-R119 IonicContact OD2-NE 3.34Å; D115-R119 PolarHBondContact OD2-NE 3.31Å; D115-R119 IonicContact OD2-NH2 2.83Å; D115-R119 PolarHBondContact OD2-NH2 3.07Å; Y116-R119 PolarHBondContact O-N 2.89Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.68Å; R119-I122 PolarHBondContact O-N 2.98Å; R119-L123 PolarHBondContact O-N 2.66Å
120Q62.7Low59.5Low64 Ų6471.5 Ų71.530%0.29935%0.353SS..Hα-helixtrans-61.4-40.1175.1-74.7-63.8-14.500112.1Y116 K117 I122 L123 A124Y116-Q120 HydrophobicContact CD1-CG 4.38Å; Y116-Q120 HydrophobicContact CD2-CG 4.06Å; Y116-Q120 HydrophobicContact CE1-CG 3.9Å; Y116-Q120 HydrophobicContact CE2-CG 3.58Å; Y116-Q120 HydrophobicContact CG-CG 4.47Å; Y116-Q120 WeakPolarHBondContact O-CG 3.35Å; Y116-Q120 PolarHBondContact O-N 2.92Å; Y116-Q120 PolarHBondContact OH-NE2 2.93Å; Y116-Q120 VanDerWaalsContact OH-NE2 3.09Å; K117-Q120 PolarHBondContact O-N 3.18Å; Q120-I122 VanDerWaalsContact C-N 3.32Å; Q120-I122 PolarHBondContact O-N 3.4Å; Q120-L123 PolarHBondContact O-N 3.41Å; Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 2.9Å
121A61.2Low59.5Low62 Ų6268.4 Ų68.451%0.51235%0.347SS..Hα-helixtrans-61.7-40.817500000112K117 K118 R119 A124 D125K117-A121 WeakPolarHBondContact O-CB 3.35Å; K117-A121 PolarHBondContact O-N 2.9Å; K118-A121 PolarHBondContact O-N 3.21Å; R119-A121 VanDerWaalsContact C-N 3.32Å; R119-A121 PolarHBondContact O-N 2.68Å; A121-A124 PolarHBondContact O-N 3.2Å; A121-D125 PolarHBondContact O-N 3.45Å
122I58.8Low59.3Low29 Ų2972.2 Ų72.215%0.14936%0.362CS..Hα-helixtrans-69.5-38.9177.1-58.6159.4000110.8L42 T45 K118 R119 Q120 A124 D125 Y126L42-I122 HydrophobicContact CD2-CB 3.93Å; L42-I122 HydrophobicContact CD2-CG2 3.3Å; L42-I122 HydrophobicContact CG-CG2 3.63Å; T45-I122 HydrophobicContact CG2-CD1 3.54Å; K118-I122 HydrophobicContact CG-CD1 4.38Å; K118-I122 WeakPolarHBondContact O-CD1 3.26Å; K118-I122 VanDerWaalsContact O-CG1 3.29Å; K118-I122 WeakPolarHBondContact O-CG1 3.47Å; K118-I122 PolarHBondContact O-N 3.01Å; K118-I122 VanDerWaalsContact O-N 3.15Å; R119-I122 PolarHBondContact O-N 2.98Å; Q120-I122 VanDerWaalsContact C-N 3.32Å; Q120-I122 PolarHBondContact O-N 3.4Å; I122-A124 VanDerWaalsContact C-N 3.31Å; I122-A124 PolarHBondContact O-N 3.1Å; I122-D125 PolarHBondContact O-N 2.81Å; I122-Y126 VanDerWaalsContact O-CB 3.29Å; I122-Y126 WeakPolarHBondContact O-CB 3.29Å; I122-Y126 PolarHBondContact O-N 2.8Å
123L61.8Low59.1Low6 Ų677.2 Ų77.23%0.03138%0.378CS..Hα-helixtrans-63-39.4175.3-173.666000111.7L21 N24 I25 R119 Q120 Y126 K127L21-L123 HydrophobicContact CD1-CB 3.82Å; L21-L123 HydrophobicContact CD1-CD1 4.37Å; L21-L123 HydrophobicContact CD1-CD2 4.3Å; L21-L123 HydrophobicContact CD1-CG 4.39Å; N24-L123 HydrophobicContact CB-CD1 3.8Å; N24-L123 HydrophobicContact CB-CD2 4.09Å; I25-L123 HydrophobicContact CG1-CD1 4.41Å; R119-L123 PolarHBondContact O-N 2.66Å; Q120-L123 PolarHBondContact O-N 3.41Å; L123-Y126 HydrophobicContact CD1-CD1 4.11Å; L123-Y126 WeakPolarHBondContact O-CB 3.46Å; L123-Y126 PolarHBondContact O-N 3.3Å; L123-K127 WeakPolarHBondContact O-CG 3.42Å; L123-K127 PolarHBondContact O-N 3.37Å
124A65.4Low58.9Low59 Ų5979.4 Ų79.449%0.48839%0.39SS..Hα-helixtrans-65.2-43.2175.100000111.6Q120 A121 I122 K127 K128Q120-A124 WeakPolarHBondContact O-CB 3.47Å; Q120-A124 PolarHBondContact O-N 2.9Å; A121-A124 PolarHBondContact O-N 3.2Å; I122-A124 VanDerWaalsContact C-N 3.31Å; I122-A124 PolarHBondContact O-N 3.1Å; A124-K127 PolarHBondContact O-N 3.23Å; A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 PolarHBondContact O-N 3.3Å
125D62.7Low58.3Low64 Ų6482.1 Ų82.134%0.34240%0.397SS..Hα-helixtrans-64.3-41.1174.7-168.161.6000111.8A121 I122 K128 R129A121-D125 PolarHBondContact O-N 3.45Å; I122-D125 PolarHBondContact O-N 2.81Å; D125-K128 PolarHBondContact O-N 3.45Å; D125-R129 WeakPolarHBondContact O-CG 3.39Å; D125-R129 PolarHBondContact O-N 2.8Å; D125-R129 IonicContact OD1-NE 2.73Å; D125-R129 IonicContact OD1-NH2 3.22Å; D125-R129 IonicContact OD2-CZ 3.86Å; D125-R129 IonicContact OD2-NE 2.83Å; D125-R129 PolarHBondContact OD2-NE 2.91Å; D125-R129 IonicContact OD2-NH2 3.77Å; D125-R129 PolarHBondContact OD2-NH2 3.27Å
126Y59.1Low57.8Low14 Ų1486.2 Ų86.26%0.05542%0.419CS..Hα-helixtrans-56.2-53.5172.2164.8-89.3000111.2N24 N26 D29 F31 L42 I122 L123 K128 R129 S130N24-Y126 WeakPolarHBondContact O-CE1 3.22Å; N26-Y126 PolarHBondContact N-OH 3.26Å; D29-Y126 HydrophobicContact CB-CE2 4.18Å; D29-Y126 WeakPolarHBondContact OD2-CE2 3.42Å; D29-Y126 PolarHBondContact OD2-OH 2.71Å; F31-Y126 AromaticContact CE1-CD2 3.85Å; F31-Y126 HydrophobicContact CE1-CD2 3.85Å; F31-Y126 HydrophobicContact CE1-CE2 4.33Å; F31-Y126 AromaticContact CE2-CD2 3.48Å; F31-Y126 HydrophobicContact CE2-CD2 3.48Å; F31-Y126 VanDerWaalsContact CE2-CD2 3.48Å; F31-Y126 AromaticContact CE2-CE2 3.35Å; F31-Y126 HydrophobicContact CE2-CE2 3.35Å; F31-Y126 AromaticContact CZ-CD2 3.02Å; F31-Y126 HydrophobicContact CZ-CD2 3.02Å; F31-Y126 AromaticContact CZ-CE2 3.14Å; F31-Y126 HydrophobicContact CZ-CE2 3.14Å; F31-Y126 HydrophobicContact CZ-CG 4.14Å; L42-Y126 HydrophobicContact CD1-CD2 3.68Å; L42-Y126 HydrophobicContact CD1-CE2 4.38Å; L42-Y126 HydrophobicContact CD1-CG 3.93Å; I122-Y126 VanDerWaalsContact O-CB 3.29Å; I122-Y126 WeakPolarHBondContact O-CB 3.29Å; I122-Y126 PolarHBondContact O-N 2.8Å; L123-Y126 HydrophobicContact CD1-CD1 4.11Å; L123-Y126 WeakPolarHBondContact O-CB 3.46Å; L123-Y126 PolarHBondContact O-N 3.3Å; Y126-K128 PolarHBondContact O-N 3.46Å; Y126-R129 PolarHBondContact O-N 2.91Å; Y126-R129 VanDerWaalsContact O-N 3.1Å; Y126-S130 PolarHBondContact O-N 3.29Å
127K63.9Low57.1Low111 Ų11189.5 Ų89.548%0.48344%0.441SS..Hα-helixtrans-60.2-36.8178.8-77-174.3176.7-170.70112L123 A124 S130 T131L123-K127 WeakPolarHBondContact O-CG 3.42Å; L123-K127 PolarHBondContact O-N 3.37Å; A124-K127 PolarHBondContact O-N 3.23Å; K127-S130 PolarHBondContact O-OG 3.13Å; K127-T131 PolarHBondContact O-N 3.17Å; K127-T131 PolarHBondContact O-OG1 3.13Å; K127-T131 VanDerWaalsContact O-OG1 3.13Å
128K66Low56.6Low128 Ų12889.5 Ų89.556%0.55745%0.449SS*.Hα-helixtrans-66.7-40.8176.3-173.6-179178.5-175.90111.7A124 D125 Y126 T131 Y132A124-K128 WeakPolarHBondContact O-CB 3.4Å; A124-K128 PolarHBondContact O-N 3.3Å; D125-K128 PolarHBondContact O-N 3.45Å; Y126-K128 PolarHBondContact O-N 3.46Å; K128-T131 PolarHBondContact O-OG1 3.42Å; K128-Y132 HydrophobicContact CG-CE2 4.3Å; K128-Y132 WeakPolarHBondContact O-CD2 3.42Å
129R61.2Low55.7Low131 Ų13192 Ų9249%0.49446%0.462SS..Hα-helixtrans-78.3-35-179.7-69.4179.2-165.5-111.3-0.3113.2F31 D125 Y126 T131 Y132 Y133F31-R129 HydrophobicContact CE1-CB 4.3Å; D125-R129 WeakPolarHBondContact O-CG 3.39Å; D125-R129 PolarHBondContact O-N 2.8Å; D125-R129 IonicContact OD1-NE 2.73Å; D125-R129 IonicContact OD1-NH2 3.22Å; D125-R129 IonicContact OD2-CZ 3.86Å; D125-R129 IonicContact OD2-NE 2.83Å; D125-R129 PolarHBondContact OD2-NE 2.91Å; D125-R129 IonicContact OD2-NH2 3.77Å; D125-R129 PolarHBondContact OD2-NH2 3.27Å; Y126-R129 PolarHBondContact O-N 2.91Å; Y126-R129 VanDerWaalsContact O-N 3.1Å; R129-T131 VanDerWaalsContact C-N 3.28Å; R129-T131 PolarHBondContact O-N 3.07Å; R129-Y132 PolarHBondContact O-N 3.44Å; R129-Y133 WeakPolarHBondContact O-CD2 3.1Å
130S57.5Low55.1Low29 Ų2998.5 Ų98.520%0.20350%0.499CS..Hα-helixtrans-62.7-39.5177.7740000110.6Y126 K127 Y132 Y133Y126-S130 PolarHBondContact O-N 3.29Å; K127-S130 PolarHBondContact O-OG 3.13Å; S130-Y132 PolarHBondContact O-N 2.97Å; S130-Y133 PolarHBondContact O-N 3.23Å; S130-Y133 VanDerWaalsContact O-N 3.13Å
131T54.9Low54Low78 Ų7898.8 Ų98.848%0.47952%0.519SS..Hα-helixtrans-64.7-16.8174.447.40000114.5K127 K128 R129 N135K127-T131 PolarHBondContact O-N 3.17Å; K127-T131 PolarHBondContact O-OG1 3.13Å; K127-T131 VanDerWaalsContact O-OG1 3.13Å; K128-T131 PolarHBondContact O-OG1 3.42Å; R129-T131 VanDerWaalsContact C-N 3.28Å; R129-T131 PolarHBondContact O-N 3.07Å; T131-N135 PolarHBondContact O-ND2 2.8Å
132Y50.5Low52.9Low149 Ų149102.3 Ų102.358%0.58453%0.529SS*.Hα-helixtrans-80.2-23.9175.1-85.5-76.1000112.8K128 R129 S130K128-Y132 HydrophobicContact CG-CE2 4.3Å; K128-Y132 WeakPolarHBondContact O-CD2 3.42Å; R129-Y132 PolarHBondContact O-N 3.44Å; S130-Y132 PolarHBondContact O-N 2.97Å
133Y49.9Very low52.2Low138 Ų138107.1 Ų107.154%0.54156%0.555SS.*Hα-helixtrans-91.5-16.3-178-73.1-72.2000113.7R129 S130 N135R129-Y133 WeakPolarHBondContact O-CD2 3.1Å; S130-Y133 PolarHBondContact O-N 3.23Å; S130-Y133 VanDerWaalsContact O-N 3.13Å; Y133-N135 VanDerWaalsContact C-N 3.3Å
134D48Very low51.5Low134 Ų134115.1 Ų115.172%0.71760%0.598SS**THydrogen-bonded Turntrans-80.1-7.2174.8-79.5-17.8000113.5
135N45.9Very low50.5Low115 Ų115118.3 Ų118.362%0.61561%0.607SS**THydrogen-bonded Turntrans-101.5-0.2-174.8-71.4-29.1000114.9T131 Y133T131-N135 PolarHBondContact O-ND2 2.8Å; Y133-N135 VanDerWaalsContact C-N 3.3Å
136D47.5Very low49.4Very low120 Ų120121.5 Ų121.564%0.64263%0.629SS**SBendtrans-101.11.9-176.9-72.1-17.6000113.8
137D46.4Very low48.9Very low148 Ų148125.4 Ų125.479%0.79166%0.658SS**G310 helixtrans-91.25.5175.9-82.7-13.5000114.1H139D137-H139 VanDerWaalsContact C-N 3.29Å; D137-H139 PolarHBondContact O-N 3.48Å
138D45.6Very low48Very low151 Ų151126.8 Ų126.881%0.80767%0.669SS**G310 helixtrans-90.318171.5-78.7-23.8000113.3
139H42.3Very low47.1Very low175 Ų175127.8 Ų127.881%0.8168%0.681SS**G310 helixtrans-115.819.4179.1-97.7-30.9000116D137D137-H139 VanDerWaalsContact C-N 3.29Å; D137-H139 PolarHBondContact O-N 3.48Å
140D46.6Very low46.1Very low163 Ų163129.3 Ų129.387%0.87270%0.696SS**  trans-85.299.9152.3-90.3-18.1000106.8
141G39Very low45.4Very low70 Ų70138.7 Ų138.772%0.72274%0.743SS**  91.752.365.700000110.3
142N38.2Very low44.9Very low137 Ų137141.8 Ų141.873%0.73376%0.757SS**  trans-155.3119.1172.9-130.253.8000106.1
143D43.7Very low44.6Very low130 Ų130141.4 Ų141.470%0.69577%0.766SS**  cis-151.2136.920.8-84.2-56.2000109.9N145D143-N145 PolarHBondContact O-N 3.07Å; D143-N145 VanDerWaalsContact O-N 3.07Å
144D46.3Very low44.3Very low174 Ų174141.6 Ų141.693%0.9378%0.778SS**  trans-53.2102.7157.9-78.3-39.9000111
145N44.5Very low44.1Very low125 Ų125142 Ų14267%0.66878%0.782SS**  trans-152.371.2148.3-178.37.3000109.7D143 S147D143-N145 PolarHBondContact O-N 3.07Å; D143-N145 VanDerWaalsContact O-N 3.07Å; N145-S147 PolarHBondContact OD1-N 2.93Å; N145-S147 PolarHBondContact OD1-OG 3.42Å; N145-S147 VanDerWaalsContact OD1-OG 3.07Å
146T40.8Very low44Very low132 Ų132143.7 Ų143.781%0.8179%0.792SS**  trans-110.883.3148.6-40.30000106.4I148T146-I148 PolarHBondContact O-N 3.07Å
147S47.6Very low43.8Very low96 Ų96145.3 Ų145.367%0.67180%0.802SS**  trans-49.8102.216823.50000109.1N145 N149N145-S147 PolarHBondContact OD1-N 2.93Å; N145-S147 PolarHBondContact OD1-OG 3.42Å; N145-S147 VanDerWaalsContact OD1-OG 3.07Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3Å
148I46.7Very low43.6Very low140 Ų140145.1 Ų145.172%0.71880%0.803SS**  trans-71.696.6169.1-61.1174.7000105.8T146 M150T146-I148 PolarHBondContact O-N 3.07Å; I148-M150 HydrophobicContact CG2-CE 4.35Å; I148-M150 HydrophobicContact CG2-CG 4.22Å; I148-M150 PolarHBondContact O-N 2.99Å
149N46Very low43.4Very low148 Ų148144.6 Ų144.679%0.79180%0.803SS**  trans-63.898.5174-170.820.7000109.2S147S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3Å
150M40Very low43.5Very low164 Ų164142.1 Ų142.181%0.80880%0.802SS**  trans-106.793.1164-71.7-157.5-139.700108.6I148I148-M150 HydrophobicContact CG2-CE 4.35Å; I148-M150 HydrophobicContact CG2-CG 4.22Å; I148-M150 PolarHBondContact O-N 2.99Å
151N43Very low43.2Very low226 Ų226140.2 Ų140.2100%1.20980%0.796SS**  trans-162.90147.2-111.5-0.5000110.1

Retrieved 151 of 151 residues in 242.6 ms (Link to these results)

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