A0A087XVQ5_POEFO Loading...

Globin domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XVQ5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 144 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
1K48Very low89Confident244 Ų24484.1 Ų84.1100%1.06147%0.466SS*.  0105.30-161.3175.9-174.4179.20107S3K1-S3 PolarHBondContact O-N 3.13Å; K1-S3 VanDerWaalsContact O-N 3.13Å
2M59.4Low89.8Confident127 Ų12777.1 Ų77.163%0.62643%0.427SS*.  trans-74.7102.2174.5-84.5-162.8-169.200108.3R137M2-R137 PolarHBondContact O-NH1 3.4Å
3S85.9Confident90.5Very high90 Ų9078.2 Ų78.263%0.62943%0.425SS*.PPolyproline II helixtrans-103.3148.1170.5530000109.8K1 S5K1-S3 PolarHBondContact O-N 3.13Å; K1-S3 VanDerWaalsContact O-N 3.13Å; S3-S5 PolarHBondContact O-N 3.44Å
4L96.9Very high91.1Very high22 Ų2276.9 Ų76.912%0.11543%0.43CS..PPolyproline II helixtrans-71.7124.2172.2-61.2172.5000109.5D8 K9 I76 L79 K130 F131 A134L4-D8 HydrophobicContact CB-CB 4.27Å; L4-D8 HydrophobicContact CD2-CB 4.02Å; L4-K9 HydrophobicContact CB-CG 3.87Å; L4-I76 HydrophobicContact CD1-CD1 3.97Å; L4-I76 HydrophobicContact CD1-CG1 3.59Å; L4-L79 HydrophobicContact CD1-CD1 4.4Å; L4-K130 HydrophobicContact CD2-CB 3.79Å; L4-F131 HydrophobicContact CD1-CB 4.34Å; L4-F131 HydrophobicContact CD1-CD2 4.01Å; L4-F131 HydrophobicContact CD2-CB 4.25Å; L4-A134 HydrophobicContact CD1-CB 4.43Å; L4-A134 HydrophobicContact CG-CB 4.48Å
5S97.8Very high91.6Very high53 Ų5372.1 Ų72.137%0.37140%0.403SS..PPolyproline II helixtrans-70.9165.3169.470.10000110.7S3 K7 D8 K9S3-S5 PolarHBondContact O-N 3.44Å; S5-K7 PolarHBondContact O-N 2.78Å; S5-K7 PolarHBondContact OG-N 2.65Å; S5-D8 VanDerWaalsContact CB-OD2 3.26Å; S5-D8 WeakPolarHBondContact CB-OD2 3.39Å; S5-D8 PolarHBondContact N-OD2 3.47Å; S5-D8 PolarHBondContact O-N 3.28Å; S5-D8 VanDerWaalsContact O-N 3.17Å; S5-D8 PolarHBondContact OG-N 3.11Å; S5-D8 VanDerWaalsContact OG-N 3.11Å; S5-D8 PolarHBondContact OG-OD2 3.04Å; S5-K9 WeakPolarHBondContact O-CG 3.26Å; S5-K9 PolarHBondContact O-N 2.61Å
6A98.1Very high92.1Very high85 Ų8569.7 Ų69.770%0.70239%0.386SS*.Hα-helixtrans-56.2-37.717300000112K9 A10A6-K9 PolarHBondContact O-N 2.82Å; A6-A10 WeakPolarHBondContact O-CB 3.09Å; A6-A10 PolarHBondContact O-N 3.17Å
7K98.2Very high92.5Very high153 Ų15369.9 Ų69.967%0.66540%0.399SS*.Hα-helixtrans-64.2-48.1175.6-175.1178.7178.2-1790111.5S5 K9 A10 T11S5-K7 PolarHBondContact O-N 2.78Å; S5-K7 PolarHBondContact OG-N 2.65Å; K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 2.86Å; K7-A10 PolarHBondContact O-N 3.31Å; K7-T11 WeakPolarHBondContact O-CB 3.48Å; K7-T11 PolarHBondContact O-N 3.16Å; K7-T11 PolarHBondContact O-OG1 3.47Å; K7-T11 VanDerWaalsContact O-OG1 3.09Å
8D98.6Very high92.8Very high15 Ų1572.6 Ų72.68%0.0841%0.405CS..Hα-helixtrans-57.3-46.4178.2-57.3-61.2000110.6L4 S5 A10 T11 V12 A127 K130L4-D8 HydrophobicContact CB-CB 4.27Å; L4-D8 HydrophobicContact CD2-CB 4.02Å; S5-D8 VanDerWaalsContact CB-OD2 3.26Å; S5-D8 WeakPolarHBondContact CB-OD2 3.39Å; S5-D8 PolarHBondContact N-OD2 3.47Å; S5-D8 PolarHBondContact O-N 3.28Å; S5-D8 VanDerWaalsContact O-N 3.17Å; S5-D8 PolarHBondContact OG-N 3.11Å; S5-D8 VanDerWaalsContact OG-N 3.11Å; S5-D8 PolarHBondContact OG-OD2 3.04Å; D8-A10 PolarHBondContact O-N 3.49Å; D8-T11 PolarHBondContact O-N 2.71Å; D8-V12 VanDerWaalsContact O-CG2 3.24Å; D8-V12 WeakPolarHBondContact O-CG2 3.42Å; D8-V12 PolarHBondContact O-N 3Å; D8-A127 HydrophobicContact CB-CB 4.41Å; D8-K130 IonicContact OD1-NZ 2.71Å; D8-K130 PolarHBondContact OD1-NZ 3.5Å; D8-K130 WeakPolarHBondContact OD2-CE 3.45Å; D8-K130 IonicContact OD2-NZ 3.91Å; D8-K130 PolarHBondContact OD2-NZ 2.88Å
9K98.7Very high93.1Very high45 Ų4568.8 Ų68.820%0.19638%0.384CS..Hα-helixtrans-61.3-44.7179.4-66.1177178-176.20112.1L4 S5 A6 K7 V12 K13 I76 D77L4-K9 HydrophobicContact CB-CG 3.87Å; S5-K9 WeakPolarHBondContact O-CG 3.26Å; S5-K9 PolarHBondContact O-N 2.61Å; A6-K9 PolarHBondContact O-N 2.82Å; K7-K9 VanDerWaalsContact C-N 3.3Å; K7-K9 PolarHBondContact O-N 2.86Å; K9-V12 PolarHBondContact O-N 2.65Å; K9-K13 WeakPolarHBondContact O-CG 3.44Å; K9-K13 PolarHBondContact O-N 3.47Å; K9-I76 HydrophobicContact CB-CD1 4.26Å; K9-I76 HydrophobicContact CD-CG2 4.47Å; K9-I76 HydrophobicContact CG-CD1 4.11Å; K9-I76 HydrophobicContact CG-CG1 4.12Å; K9-I76 HydrophobicContact CG-CG2 4.37Å; K9-D77 WeakPolarHBondContact CD-OD1 3.21Å; K9-D77 WeakPolarHBondContact CE-OD1 3.32Å; K9-D77 IonicContact NZ-OD1 3.53Å; K9-D77 PolarHBondContact NZ-OD1 3.49Å
10A98.8Very high93.3Very high58 Ų5868.2 Ų68.248%0.47939%0.385SS..Hα-helixtrans-63.3-44.1177.500000111.5A6 K7 D8 K13 A14A6-A10 WeakPolarHBondContact O-CB 3.09Å; A6-A10 PolarHBondContact O-N 3.17Å; K7-A10 PolarHBondContact O-N 3.31Å; D8-A10 PolarHBondContact O-N 3.49Å; A10-K13 PolarHBondContact O-N 3.36Å; A10-A14 VanDerWaalsContact O-CB 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.26Å; A10-A14 PolarHBondContact O-N 2.88Å
11T98.8Very high93.5Very high33 Ų3370.2 Ų70.220%0.20240%0.403CS..Hα-helixtrans-61.3-45.9176.4-62.10000111.7K7 D8 A14 F15 V124 A127K7-T11 WeakPolarHBondContact O-CB 3.48Å; K7-T11 PolarHBondContact O-N 3.16Å; K7-T11 PolarHBondContact O-OG1 3.47Å; K7-T11 VanDerWaalsContact O-OG1 3.09Å; D8-T11 PolarHBondContact O-N 2.71Å; T11-A14 PolarHBondContact O-N 3.46Å; T11-F15 WeakPolarHBondContact O-CB 3.45Å; T11-F15 PolarHBondContact O-N 2.96Å; T11-V124 HydrophobicContact CG2-CB 4.43Å; T11-V124 HydrophobicContact CG2-CG2 3.95Å; T11-A127 HydrophobicContact CG2-CB 3.62Å
12V98.9Very high95.9Very high0 Ų060.3 Ų60.30%036%0.364CS..Hα-helixtrans-60.2-49176.71700000110.9D8 K9 A14 F15 W16 V73 I76 A127 M128 F131D8-V12 VanDerWaalsContact O-CG2 3.24Å; D8-V12 WeakPolarHBondContact O-CG2 3.42Å; D8-V12 PolarHBondContact O-N 3Å; K9-V12 PolarHBondContact O-N 2.65Å; V12-A14 PolarHBondContact O-N 3.31Å; V12-F15 PolarHBondContact O-N 3.09Å; V12-W16 WeakPolarHBondContact O-CB 3.49Å; V12-W16 PolarHBondContact O-N 2.91Å; V12-V73 HydrophobicContact CG1-CG2 4.06Å; V12-I76 HydrophobicContact CB-CD1 3.93Å; V12-I76 HydrophobicContact CG1-CD1 3.71Å; V12-I76 HydrophobicContact CG2-CD1 4.42Å; V12-A127 HydrophobicContact CG2-CB 4.16Å; V12-M128 HydrophobicContact CB-SD 4.27Å; V12-M128 HydrophobicContact CG1-SD 3.99Å; V12-M128 HydrophobicContact CG2-SD 3.93Å; V12-F131 HydrophobicContact CG1-CB 4.46Å; V12-F131 HydrophobicContact CG1-CD1 4.05Å; V12-F131 HydrophobicContact CG1-CD2 4.22Å; V12-F131 HydrophobicContact CG1-CE1 4.34Å; V12-F131 HydrophobicContact CG1-CG 3.98Å; V12-F131 HydrophobicContact CG2-CB 3.72Å; V12-F131 HydrophobicContact CG2-CG 4.15Å
13K98.8Very high97.7Very high92 Ų9254.7 Ų54.740%0.434%0.339SS..Hα-helixtrans-61.8-44179.2-71.7-179.6-173.3-175.70111.8K9 A10 W16 A17 V73 D77K9-K13 WeakPolarHBondContact O-CG 3.44Å; K9-K13 PolarHBondContact O-N 3.47Å; A10-K13 PolarHBondContact O-N 3.36Å; K13-W16 PolarHBondContact O-N 2.94Å; K13-A17 PolarHBondContact O-N 3.24Å; K13-V73 HydrophobicContact CG-CG1 4.24Å; K13-D77 IonicContact NZ-OD2 2.97Å
14A98.8Very high98.3Very high60 Ų6057.5 Ų57.550%0.49634%0.343SS..Hα-helixtrans-65.7-42.9179.900000112.2A10 T11 V12A10-A14 VanDerWaalsContact O-CB 3.28Å; A10-A14 WeakPolarHBondContact O-CB 3.26Å; A10-A14 PolarHBondContact O-N 2.88Å; T11-A14 PolarHBondContact O-N 3.46Å; V12-A14 PolarHBondContact O-N 3.31Å
15F98.8Very high98.4Very high5 Ų559 Ų592%0.02236%0.358CS..Hα-helixtrans-68.8-43176.1-176-114.5000111.5T11 V12 A17 K18 I19 L112 F116 D119 F120 V124 M128T11-F15 WeakPolarHBondContact O-CB 3.45Å; T11-F15 PolarHBondContact O-N 2.96Å; V12-F15 PolarHBondContact O-N 3.09Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.93Å; F15-K18 WeakPolarHBondContact O-CB 3.3Å; F15-K18 PolarHBondContact O-N 3.29Å; F15-I19 HydrophobicContact CD1-CD1 4.06Å; F15-I19 HydrophobicContact CD1-CG2 4.47Å; F15-I19 HydrophobicContact CD2-CG2 4.38Å; F15-I19 HydrophobicContact CE1-CD1 3.75Å; F15-I19 HydrophobicContact CE1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CG2 3.96Å; F15-I19 HydrophobicContact CE2-CG2 3.85Å; F15-I19 HydrophobicContact CZ-CD1 4.47Å; F15-I19 HydrophobicContact CZ-CG2 3.62Å; F15-I19 PolarHBondContact O-N 2.93Å; F15-L112 HydrophobicContact CE1-CB 4.48Å; F15-L112 HydrophobicContact CE1-CD1 4.1Å; F15-L112 HydrophobicContact CE1-CD2 4.12Å; F15-L112 HydrophobicContact CE1-CG 4.45Å; F15-L112 HydrophobicContact CZ-CD2 4.45Å; F15-F116 HydrophobicContact CE2-CB 4.33Å; F15-F116 HydrophobicContact CZ-CB 4.26Å; F15-D119 HydrophobicContact CD2-CB 4.26Å; F15-D119 HydrophobicContact CE2-CB 3.77Å; F15-F120 AromaticContact CE1-CD2 3.82Å; F15-F120 HydrophobicContact CE1-CD2 3.82Å; F15-F120 HydrophobicContact CE1-CE2 4.28Å; F15-F120 HydrophobicContact CE2-CD2 4.39Å; F15-F120 HydrophobicContact CZ-CB 4.28Å; F15-F120 AromaticContact CZ-CD2 3.64Å; F15-F120 HydrophobicContact CZ-CD2 3.64Å; F15-F120 HydrophobicContact CZ-CG 4.44Å; F15-V124 HydrophobicContact CB-CG1 3.94Å; F15-V124 HydrophobicContact CD1-CG1 3.63Å; F15-V124 HydrophobicContact CD2-CG1 3.64Å; F15-V124 HydrophobicContact CE1-CG1 3.98Å; F15-V124 HydrophobicContact CE2-CG1 4Å; F15-V124 HydrophobicContact CG-CG1 3.44Å; F15-V124 VanDerWaalsContact CG-CG1 3.44Å; F15-V124 HydrophobicContact CZ-CG1 4.17Å; F15-M128 HydrophobicContact CD1-CG 3.95Å; F15-M128 HydrophobicContact CD1-SD 4.05Å; F15-M128 HydrophobicContact CE1-CG 4.38Å
16W98.7Very high98.4Very high33 Ų3356.4 Ų56.413%0.12534%0.34CS..Hα-helixtrans-54.8-43.4176.4-175.4-102.8000112.3V12 K13 K18 I19 S20 M66 V69 A70 V73V12-W16 WeakPolarHBondContact O-CB 3.49Å; V12-W16 PolarHBondContact O-N 2.91Å; K13-W16 PolarHBondContact O-N 2.94Å; W16-K18 PolarHBondContact O-N 3Å; W16-K18 VanDerWaalsContact O-N 3.15Å; W16-I19 HydrophobicContact CE3-CD1 3.86Å; W16-I19 HydrophobicContact CE3-CG1 4.1Å; W16-I19 HydrophobicContact CZ3-CD1 4.15Å; W16-I19 PolarHBondContact O-N 3.46Å; W16-I19 VanDerWaalsContact O-N 3.1Å; W16-S20 VanDerWaalsContact O-CB 3.29Å; W16-S20 WeakPolarHBondContact O-CB 3.48Å; W16-S20 PolarHBondContact O-N 2.98Å; W16-S20 PolarHBondContact O-OG 3.43Å; W16-M66 HydrophobicContact CH2-CE 3.75Å; W16-M66 HydrophobicContact CZ3-CE 3.67Å; W16-V69 HydrophobicContact CE3-CG1 4.33Å; W16-V69 HydrophobicContact CH2-CB 4.2Å; W16-V69 HydrophobicContact CH2-CG1 3.88Å; W16-V69 HydrophobicContact CZ3-CB 4.36Å; W16-V69 HydrophobicContact CZ3-CG1 3.57Å; W16-A70 HydrophobicContact CH2-CB 4.28Å; W16-A70 HydrophobicContact CZ2-CB 3.5Å; W16-V73 HydrophobicContact CB-CG1 4.14Å; W16-V73 HydrophobicContact CB-CG2 4.37Å; W16-V73 HydrophobicContact CD2-CG2 3.9Å; W16-V73 HydrophobicContact CE3-CG2 4.14Å; W16-V73 HydrophobicContact CG-CB 4.32Å; W16-V73 HydrophobicContact CG-CG1 3.94Å; W16-V73 HydrophobicContact CG-CG2 3.98Å
17A98.6Very high98.4Very high74 Ų7452.5 Ų52.561%0.61231%0.308SS*.Hα-helixtrans-59.1-25.4177.600000113.9K13 F15K13-A17 PolarHBondContact O-N 3.24Å; F15-A17 VanDerWaalsContact C-N 3.28Å; F15-A17 PolarHBondContact O-N 2.93Å
18K98.2Very high98.5Very high118 Ų11845.9 Ų45.951%0.51328%0.282SS..Hα-helixtrans-81.3-37.2175.6-62179.2174.5-174.50112.4F15 W16 D119F15-K18 WeakPolarHBondContact O-CB 3.3Å; F15-K18 PolarHBondContact O-N 3.29Å; W16-K18 PolarHBondContact O-N 3Å; W16-K18 VanDerWaalsContact O-N 3.15Å; K18-D119 HydrophobicContact CD-CB 4.46Å; K18-D119 IonicContact NZ-OD1 3.48Å; K18-D119 PolarHBondContact NZ-OD1 3.19Å
19I98.2Very high98.5Very high1 Ų147.4 Ų47.41%0.00529%0.29CS..Hα-helixtrans-99-14.7-168.966.8163000113.8F15 W16 S21 S22 I26 L112 F116F15-I19 HydrophobicContact CD1-CD1 4.06Å; F15-I19 HydrophobicContact CD1-CG2 4.47Å; F15-I19 HydrophobicContact CD2-CG2 4.38Å; F15-I19 HydrophobicContact CE1-CD1 3.75Å; F15-I19 HydrophobicContact CE1-CG1 4.45Å; F15-I19 HydrophobicContact CE1-CG2 3.96Å; F15-I19 HydrophobicContact CE2-CG2 3.85Å; F15-I19 HydrophobicContact CZ-CD1 4.47Å; F15-I19 HydrophobicContact CZ-CG2 3.62Å; F15-I19 PolarHBondContact O-N 2.93Å; W16-I19 HydrophobicContact CE3-CD1 3.86Å; W16-I19 HydrophobicContact CE3-CG1 4.1Å; W16-I19 HydrophobicContact CZ3-CD1 4.15Å; W16-I19 PolarHBondContact O-N 3.46Å; W16-I19 VanDerWaalsContact O-N 3.1Å; I19-S21 VanDerWaalsContact C-N 3.25Å; I19-S21 PolarHBondContact O-N 2.69Å; I19-S22 WeakPolarHBondContact O-CA 3.4Å; I19-S22 WeakPolarHBondContact O-CB 3.24Å; I19-S22 PolarHBondContact O-N 3.45Å; I19-I26 HydrophobicContact CB-CD1 4.12Å; I19-I26 HydrophobicContact CD1-CD1 4.26Å; I19-L112 HydrophobicContact CD1-CD2 3.43Å; I19-L112 VanDerWaalsContact CD1-CD2 3.43Å; I19-F116 HydrophobicContact CB-CD2 4.36Å; I19-F116 HydrophobicContact CB-CE1 4.36Å; I19-F116 HydrophobicContact CB-CE2 3.85Å; I19-F116 HydrophobicContact CB-CZ 3.85Å; I19-F116 HydrophobicContact CG2-CD1 3.87Å; I19-F116 HydrophobicContact CG2-CD2 3.59Å; I19-F116 HydrophobicContact CG2-CE1 3.84Å; I19-F116 HydrophobicContact CG2-CE2 3.56Å; I19-F116 HydrophobicContact CG2-CG 3.75Å; I19-F116 HydrophobicContact CG2-CZ 3.69Å
20S97.3Very high98.5Very high56 Ų5645.3 Ų45.339%0.39228%0.281SS..G310 helixtrans-62-30.5-168.859.90000113.6W16 S22 G23W16-S20 VanDerWaalsContact O-CB 3.29Å; W16-S20 WeakPolarHBondContact O-CB 3.48Å; W16-S20 PolarHBondContact O-N 2.98Å; W16-S20 PolarHBondContact O-OG 3.43Å; S20-S22 PolarHBondContact O-N 2.9Å; S20-G23 PolarHBondContact O-N 3.4Å
21S97.8Very high98.5Very high110 Ų11042.7 Ų42.777%0.76926%0.259SS*.G310 helixtrans-65.3-19.8174.257.80000113.3I19I19-S21 VanDerWaalsContact C-N 3.25Å; I19-S21 PolarHBondContact O-N 2.69Å
22S98.3Very high98.5Very high36 Ų3641.5 Ų41.525%0.25225%0.252SS..G310 helixtrans-9911.1177.7-58.30000113I19 S20 E24 A25 I26I19-S22 WeakPolarHBondContact O-CA 3.4Å; I19-S22 WeakPolarHBondContact O-CB 3.24Å; I19-S22 PolarHBondContact O-N 3.45Å; S20-S22 PolarHBondContact O-N 2.9Å; S22-E24 VanDerWaalsContact C-N 3.31Å; S22-E24 PolarHBondContact O-N 3.31Å; S22-A25 PolarHBondContact O-N 3.41Å; S22-A25 VanDerWaalsContact O-N 3.08Å; S22-I26 VanDerWaalsContact O-CG1 3.31Å; S22-I26 WeakPolarHBondContact O-CG1 3.4Å; S22-I26 PolarHBondContact O-N 3.3Å
23G97.9Very high98.5Very high10 Ų1045.1 Ų45.110%0.10327%0.265CS..Hα-helixtrans-53.1-42.2-173.200000114.1S20 I26 G27 M66S20-G23 PolarHBondContact O-N 3.4Å; G23-I26 PolarHBondContact O-N 3.35Å; G23-G27 PolarHBondContact O-N 3.05Å; G23-M66 VanDerWaalsContact O-CG 3.26Å; G23-M66 WeakPolarHBondContact O-CG 3.44Å
24E98Very high98.5Very high149 Ų14941.2 Ų41.270%0.69625%0.249SC*.Hα-helixtrans-63.6-44.4178.1-61.6-171.717900112.4S22 G27 A28 A63S22-E24 VanDerWaalsContact C-N 3.31Å; S22-E24 PolarHBondContact O-N 3.31Å; E24-G27 PolarHBondContact O-N 3.49Å; E24-A28 VanDerWaalsContact O-CB 3.3Å; E24-A28 WeakPolarHBondContact O-CB 3.46Å; E24-A28 PolarHBondContact O-N 3.02Å; E24-A63 HydrophobicContact CB-CB 4.43Å; E24-A63 HydrophobicContact CG-CB 3.96Å
25A98.5Very high98.5Very high52 Ų5238.3 Ų38.343%0.4323%0.225SC..Hα-helixtrans-66.6-43.5178.800000111.5S22 G27 A28 D29 M115S22-A25 PolarHBondContact O-N 3.41Å; S22-A25 VanDerWaalsContact O-N 3.08Å; A25-G27 PolarHBondContact O-N 3.05Å; A25-A28 PolarHBondContact O-N 3.01Å; A25-D29 PolarHBondContact O-N 3.36Å; A25-M115 HydrophobicContact CB-CE 4.09Å
26I98.8Very high98.4Very high0 Ų042.1 Ų42.10%025%0.248CC..Hα-helixtrans-59.2-49.6176.5-65.5161.6000110.1I19 S22 G23 D29 A30 M66 V111 L112 M115 F116I19-I26 HydrophobicContact CB-CD1 4.12Å; I19-I26 HydrophobicContact CD1-CD1 4.26Å; S22-I26 VanDerWaalsContact O-CG1 3.31Å; S22-I26 WeakPolarHBondContact O-CG1 3.4Å; S22-I26 PolarHBondContact O-N 3.3Å; G23-I26 PolarHBondContact O-N 3.35Å; I26-D29 PolarHBondContact O-N 2.86Å; I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.33Å; I26-A30 PolarHBondContact O-N 3.07Å; I26-M66 HydrophobicContact CB-CE 4.29Å; I26-M66 HydrophobicContact CG2-CE 3.74Å; I26-M66 HydrophobicContact CG2-SD 4.02Å; I26-V111 HydrophobicContact CB-CG1 4.34Å; I26-V111 HydrophobicContact CG1-CG1 4.47Å; I26-V111 HydrophobicContact CG2-CG1 4.07Å; I26-L112 HydrophobicContact CD1-CD2 4.03Å; I26-L112 HydrophobicContact CG1-CD2 4.48Å; I26-L112 HydrophobicContact CG2-CD2 4.22Å; I26-M115 HydrophobicContact CB-SD 4.5Å; I26-M115 HydrophobicContact CG1-CE 4.07Å; I26-M115 HydrophobicContact CG1-SD 3.67Å; I26-F116 HydrophobicContact CD1-CE2 3.84Å; I26-F116 HydrophobicContact CD1-CZ 4.32Å; I26-F116 HydrophobicContact CG1-CE2 4.19Å
27G98.8Very high98.4Very high3 Ų344.9 Ų44.93%0.03127%0.269CS..Hα-helixtrans-64.8-42.2-178.100000112.8G23 E24 A25 L31 G62 M66G23-G27 PolarHBondContact O-N 3.05Å; E24-G27 PolarHBondContact O-N 3.49Å; A25-G27 PolarHBondContact O-N 3.05Å; G27-L31 VanDerWaalsContact O-CB 3.22Å; G27-L31 WeakPolarHBondContact O-CB 3.49Å; G27-L31 PolarHBondContact O-N 3.3Å; G27-G62 VanDerWaalsContact C-CA 3.47Å; G27-G62 WeakPolarHBondContact CA-O 3.16Å; G27-G62 WeakPolarHBondContact O-CA 3.44Å; G27-M66 VanDerWaalsContact CA-CG 3.43Å
28A98.8Very high98.4Very high14 Ų1444.4 Ų44.412%0.11625%0.252CS..Hα-helixtrans-62.8-45.3177.800000112E24 A25 S32 K59E24-A28 VanDerWaalsContact O-CB 3.3Å; E24-A28 WeakPolarHBondContact O-CB 3.46Å; E24-A28 PolarHBondContact O-N 3.02Å; A25-A28 PolarHBondContact O-N 3.01Å; A28-S32 VanDerWaalsContact O-CB 3.29Å; A28-S32 WeakPolarHBondContact O-CB 3.46Å; A28-S32 PolarHBondContact O-N 2.83Å; A28-S32 PolarHBondContact O-OG 3.27Å; A28-K59 HydrophobicContact CB-CG 3.98Å
29D98.8Very high98.4Very high47 Ų4742.4 Ų42.425%0.25125%0.251SS..Hα-helixtrans-68.9-45.9178.6-168.46.8000111A25 I26 L31 S32 R33 V111A25-D29 PolarHBondContact O-N 3.36Å; I26-D29 PolarHBondContact O-N 2.86Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.3Å; D29-S32 WeakPolarHBondContact O-CB 3.39Å; D29-S32 PolarHBondContact O-N 3.35Å; D29-R33 VanDerWaalsContact CG-NE 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.28Å; D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 IonicContact OD1-CZ 2.79Å; D29-R33 IonicContact OD1-NE 2.86Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.55Å; D29-R33 PolarHBondContact OD1-NH2 3.43Å; D29-R33 IonicContact OD2-CZ 2.68Å; D29-R33 IonicContact OD2-NE 2.65Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.2Å; D29-R33 PolarHBondContact OD2-NH2 2.74Å; D29-V111 HydrophobicContact CB-CG1 4.12Å; D29-V111 HydrophobicContact CB-CG2 3.9Å
30A98.9Very high98.4Very high1 Ų147.3 Ų47.31%0.00827%0.274CS..Hα-helixtrans-60.9-42.4-179.400000112I26 R33 M34 N107 I108 V111I26-A30 VanDerWaalsContact O-CB 3.25Å; I26-A30 WeakPolarHBondContact O-CB 3.33Å; I26-A30 PolarHBondContact O-N 3.07Å; A30-R33 PolarHBondContact O-N 2.98Å; A30-M34 WeakPolarHBondContact O-CB 3.49Å; A30-M34 PolarHBondContact O-N 3.05Å; A30-N107 HydrophobicContact CB-CB 4.42Å; A30-N107 WeakPolarHBondContact O-CB 3.41Å; A30-I108 HydrophobicContact CB-CG1 3.83Å; A30-V111 HydrophobicContact CB-CG2 4.09Å
31L98.8Very high98.4Very high2 Ų244.7 Ų44.71%0.0126%0.255CS..Hα-helixtrans-69.5-39.9177.1-175.161.1000112G27 D29 R33 M34 L35 F45 W48 V58 H61G27-L31 VanDerWaalsContact O-CB 3.22Å; G27-L31 WeakPolarHBondContact O-CB 3.49Å; G27-L31 PolarHBondContact O-N 3.3Å; D29-L31 VanDerWaalsContact C-N 3.33Å; D29-L31 PolarHBondContact O-N 3.3Å; L31-R33 PolarHBondContact O-N 3.27Å; L31-M34 HydrophobicContact CD1-CE 3.44Å; L31-M34 VanDerWaalsContact CD1-CE 3.44Å; L31-M34 PolarHBondContact O-N 3.21Å; L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CD1-CG 4.42Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.44Å; L31-F45 HydrophobicContact CD1-CE2 4.42Å; L31-F45 HydrophobicContact CD1-CZ 4.17Å; L31-W48 HydrophobicContact CD2-CH2 3.98Å; L31-W48 HydrophobicContact CD2-CZ3 4.24Å; L31-V58 HydrophobicContact CB-CG1 4.24Å; L31-V58 HydrophobicContact CD2-CG1 4.18Å; L31-V58 HydrophobicContact CG-CG1 4.17Å; L31-H61 HydrophobicContact CD2-CB 3.87Å
32S98.8Very high98.4Very high8 Ų843.6 Ų43.66%0.05624%0.237CC..Hα-helixtrans-57.6-48.6174.1-62.20000111.1A28 D29 L35 V36 P53 G54 V58A28-S32 VanDerWaalsContact O-CB 3.29Å; A28-S32 WeakPolarHBondContact O-CB 3.46Å; A28-S32 PolarHBondContact O-N 2.83Å; A28-S32 PolarHBondContact O-OG 3.27Å; D29-S32 WeakPolarHBondContact O-CB 3.39Å; D29-S32 PolarHBondContact O-N 3.35Å; S32-L35 PolarHBondContact O-N 3.34Å; S32-V36 WeakPolarHBondContact O-CG2 3.42Å; S32-V36 PolarHBondContact O-N 3.02Å; S32-P53 WeakPolarHBondContact OG-CA 3.34Å; S32-G54 PolarHBondContact OG-N 3.11Å; S32-V58 VanDerWaalsContact OG-CG1 3.3Å; S32-V58 WeakPolarHBondContact OG-CG1 3.48Å
33R98.8Very high98.4Very high76 Ų7646.1 Ų46.129%0.28725%0.251SS..Hα-helixtrans-62.4-43.9178-69.1170.4-173.6-92.5-3.7112.1D29 A30 L31 L35 V36 V37 N107 I114D29-R33 VanDerWaalsContact CG-NE 3.26Å; D29-R33 WeakPolarHBondContact O-CG 3.28Å; D29-R33 PolarHBondContact O-N 3.5Å; D29-R33 IonicContact OD1-CZ 2.79Å; D29-R33 IonicContact OD1-NE 2.86Å; D29-R33 PolarHBondContact OD1-NE 3.21Å; D29-R33 IonicContact OD1-NH2 3.55Å; D29-R33 PolarHBondContact OD1-NH2 3.43Å; D29-R33 IonicContact OD2-CZ 2.68Å; D29-R33 IonicContact OD2-NE 2.65Å; D29-R33 PolarHBondContact OD2-NE 3.39Å; D29-R33 IonicContact OD2-NH2 3.2Å; D29-R33 PolarHBondContact OD2-NH2 2.74Å; A30-R33 PolarHBondContact O-N 2.98Å; L31-R33 PolarHBondContact O-N 3.27Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.28Å; R33-V36 PolarHBondContact O-N 2.68Å; R33-V37 VanDerWaalsContact O-CB 3.31Å; R33-V37 WeakPolarHBondContact O-CB 3.42Å; R33-V37 WeakPolarHBondContact O-CG2 3.45Å; R33-V37 PolarHBondContact O-N 3.49Å; R33-N107 HydrophobicContact CB-CB 4.41Å; R33-N107 WeakPolarHBondContact CB-OD1 3.21Å; R33-I114 VanDerWaalsContact NH2-CD1 3.3Å
34M98.8Very high98.4Very high10 Ų1049 Ų495%0.04926%0.259CS..Hα-helixtrans-56.8-47.9177-176.9-17381.200111.2A30 L31 V36 Y38 T41 F45 I103 L104A30-M34 WeakPolarHBondContact O-CB 3.49Å; A30-M34 PolarHBondContact O-N 3.05Å; L31-M34 HydrophobicContact CD1-CE 3.44Å; L31-M34 VanDerWaalsContact CD1-CE 3.44Å; L31-M34 PolarHBondContact O-N 3.21Å; M34-V36 VanDerWaalsContact C-N 3.34Å; M34-V36 PolarHBondContact O-N 3.48Å; M34-Y38 CarbonylContact O-C 3.51Å; M34-Y38 WeakPolarHBondContact O-CA 3.32Å; M34-Y38 VanDerWaalsContact O-CB 3.32Å; M34-Y38 WeakPolarHBondContact O-CB 3.42Å; M34-Y38 PolarHBondContact O-N 2.87Å; M34-T41 HydrophobicContact CE-CG2 4.44Å; M34-T41 HydrophobicContact CG-CG2 3.94Å; M34-T41 PolarHBondContact O-OG1 2.86Å; M34-T41 HydrophobicContact SD-CG2 4.19Å; M34-F45 HydrophobicContact CE-CE2 3.71Å; M34-F45 HydrophobicContact CE-CZ 4.31Å; M34-I103 HydrophobicContact CG-CG2 3.94Å; M34-L104 HydrophobicContact SD-CB 3.84Å; M34-L104 HydrophobicContact SD-CD1 3.95Å; M34-L104 HydrophobicContact SD-CG 4.38Å
35L98.6Very high98.5Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-68.4-32.9-177.8-67.3168.7000112.6L31 S32 R33 K42 F45 W48 M51 V58L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CD1-CG 4.42Å; L31-L35 HydrophobicContact CG-CD1 4.14Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.44Å; S32-L35 PolarHBondContact O-N 3.34Å; R33-L35 VanDerWaalsContact C-N 3.33Å; R33-L35 PolarHBondContact O-N 3.28Å; L35-K42 HydrophobicContact CD2-CG 4.02Å; L35-K42 WeakPolarHBondContact O-CE 3.36Å; L35-F45 HydrophobicContact CD2-CD2 3.59Å; L35-F45 HydrophobicContact CD2-CE2 4.12Å; L35-F45 HydrophobicContact CD2-CG 4.3Å; L35-W48 HydrophobicContact CD1-CZ3 4.22Å; L35-M51 HydrophobicContact CD1-CB 4.33Å; L35-V58 HydrophobicContact CD1-CG2 3.84Å
36V98.4Very high98.4Very high84 Ų8444.7 Ų44.751%0.50924%0.24SC..Hα-helixtrans-79.6-51.1179.1172.20000112S32 R33 M34 P53S32-V36 WeakPolarHBondContact O-CG2 3.42Å; S32-V36 PolarHBondContact O-N 3.02Å; R33-V36 PolarHBondContact O-N 2.68Å; M34-V36 VanDerWaalsContact C-N 3.34Å; M34-V36 PolarHBondContact O-N 3.48Å; V36-P53 HydrophobicContact CG2-CG 3.72Å
37V98.6Very high98.3Very high92 Ų9251.2 Ų51.256%0.55827%0.27SS*.Hα-helixtrans-80.4-29.3-171.7-178.60000111.7R33 P39R33-V37 VanDerWaalsContact O-CB 3.31Å; R33-V37 WeakPolarHBondContact O-CB 3.42Å; R33-V37 WeakPolarHBondContact O-CG2 3.45Å; R33-V37 PolarHBondContact O-N 3.49Å; V37-P39 WeakPolarHBondContact O-CD 3.27Å
38Y98.3Very high98.3Very high63 Ų6352.9 Ų52.925%0.24728%0.275CS..  trans-122.671.8-178.3-57.4-90.6000109.9M34 Q40 T41 I103 H106 N107M34-Y38 CarbonylContact O-C 3.51Å; M34-Y38 WeakPolarHBondContact O-CA 3.32Å; M34-Y38 VanDerWaalsContact O-CB 3.32Å; M34-Y38 WeakPolarHBondContact O-CB 3.42Å; M34-Y38 PolarHBondContact O-N 2.87Å; Y38-Q40 VanDerWaalsContact CA-OE1 3.24Å; Y38-Q40 PolarHBondContact O-N 2.85Å; Y38-Q40 PolarHBondContact O-OE1 2.86Å; Y38-T41 WeakPolarHBondContact O-CB 3.42Å; Y38-T41 WeakPolarHBondContact O-CG2 3.33Å; Y38-T41 PolarHBondContact O-N 2.86Å; Y38-T41 PolarHBondContact O-OG1 3.1Å; Y38-I103 HydrophobicContact CD1-CD1 4.2Å; Y38-I103 HydrophobicContact CD1-CG1 4.47Å; Y38-I103 HydrophobicContact CD1-CG2 3.68Å; Y38-I103 HydrophobicContact CD2-CG2 3.4Å; Y38-I103 HydrophobicContact CE1-CG2 4.1Å; Y38-I103 HydrophobicContact CE2-CG2 3.86Å; Y38-I103 HydrophobicContact CG-CG2 3.29Å; Y38-H106 PolarHBondContact OH-CD2 3.05Å; Y38-N107 WeakPolarHBondContact CE2-ND2 3.37Å
39P97.3Very high98.1Very high77 Ų7762.7 Ų62.750%0.532%0.315SS..G310 helixtrans-61.6-20.4-170.725.2-35.4000114V37 T41 K42V37-P39 WeakPolarHBondContact O-CD 3.27Å; P39-T41 PolarHBondContact O-N 3.27Å; P39-K42 VanDerWaalsContact O-CB 3.27Å; P39-K42 WeakPolarHBondContact O-CB 3.21Å; P39-K42 WeakPolarHBondContact O-CG 3.42Å; P39-K42 PolarHBondContact O-N 2.95Å
40Q97.9Very high98.1Very high103 Ų10363.9 Ų63.948%0.48132%0.322SS..G310 helixtrans-58.5-26.2172.471.4-82.823.900112.8Y38 K42 T43Y38-Q40 VanDerWaalsContact CA-OE1 3.24Å; Y38-Q40 PolarHBondContact O-N 2.85Å; Y38-Q40 PolarHBondContact O-OE1 2.86Å; Q40-K42 PolarHBondContact O-N 3.34Å; Q40-T43 WeakPolarHBondContact O-CG2 3.34Å
41T98.4Very high98.1Very high1 Ų165.7 Ų65.71%0.00633%0.331CS..G310 helixtrans-73-17178.565.40000112.8M34 Y38 P39 T43 Y44 F45 I103M34-T41 HydrophobicContact CE-CG2 4.44Å; M34-T41 HydrophobicContact CG-CG2 3.94Å; M34-T41 PolarHBondContact O-OG1 2.86Å; M34-T41 HydrophobicContact SD-CG2 4.19Å; Y38-T41 WeakPolarHBondContact O-CB 3.42Å; Y38-T41 WeakPolarHBondContact O-CG2 3.33Å; Y38-T41 PolarHBondContact O-N 2.86Å; Y38-T41 PolarHBondContact O-OG1 3.1Å; P39-T41 PolarHBondContact O-N 3.27Å; T41-T43 PolarHBondContact O-N 2.97Å; T41-Y44 WeakPolarHBondContact O-CD2 3.42Å; T41-Y44 PolarHBondContact O-N 3.44Å; T41-F45 WeakPolarHBondContact O-CD2 3.41Å; T41-I103 HydrophobicContact CG2-CD1 4.18Å; T41-I103 HydrophobicContact CG2-CG2 4.37Å
42K98.1Very high98Very high87 Ų8768.2 Ų68.238%0.37835%0.348SS..G310 helixtrans-62.6-25.3179.7-66.7-173.8-177.9-174.60113.7L35 P39 Q40 Y44 F45 S46 M51L35-K42 HydrophobicContact CD2-CG 4.02Å; L35-K42 WeakPolarHBondContact O-CE 3.36Å; P39-K42 VanDerWaalsContact O-CB 3.27Å; P39-K42 WeakPolarHBondContact O-CB 3.21Å; P39-K42 WeakPolarHBondContact O-CG 3.42Å; P39-K42 PolarHBondContact O-N 2.95Å; Q40-K42 PolarHBondContact O-N 3.34Å; K42-Y44 PolarHBondContact O-N 3.11Å; K42-F45 CarbonylContact O-C 3.58Å; K42-F45 PolarHBondContact O-N 3.39Å; K42-S46 PolarHBondContact O-N 2.95Å; K42-M51 HydrophobicContact CB-SD 3.92Å; K42-M51 HydrophobicContact CD-SD 4.32Å; K42-M51 HydrophobicContact CG-SD 4.01Å
43T98Very high98Very high90 Ų9071.8 Ų71.855%0.55237%0.371SS*.G310 helixtrans-55.6-39.5-179.9-168.50000112.3Q40 T41 F45 S46Q40-T43 WeakPolarHBondContact O-CG2 3.34Å; T41-T43 PolarHBondContact O-N 2.97Å; T43-F45 PolarHBondContact O-N 3.08Å; T43-S46 WeakPolarHBondContact O-CB 3.49Å; T43-S46 PolarHBondContact O-N 2.88Å; T43-S46 PolarHBondContact O-OG 3.36Å
44Y98.2Very high97.8Very high69 Ų6969.6 Ų69.627%0.27137%0.373SS..G310 helixtrans-69-15.9179.5-55.9-65.6000113.4T41 K42 V96 D97 N100T41-Y44 WeakPolarHBondContact O-CD2 3.42Å; T41-Y44 PolarHBondContact O-N 3.44Å; K42-Y44 PolarHBondContact O-N 3.11Å; Y44-V96 HydrophobicContact CD1-CB 4.48Å; Y44-V96 HydrophobicContact CD1-CG2 3.99Å; Y44-V96 HydrophobicContact CE1-CB 4.29Å; Y44-V96 HydrophobicContact CE1-CG1 4.37Å; Y44-V96 HydrophobicContact CE1-CG2 4.29Å; Y44-V96 HydrophobicContact CE2-CG1 4.34Å; Y44-V96 HydrophobicContact CG-CG2 4.38Å; Y44-D97 WeakPolarHBondContact OH-CB 3.22Å; Y44-D97 PolarHBondContact OH-N 3.49Å; Y44-N100 WeakPolarHBondContact CE2-ND2 3.26Å; Y44-N100 PolarHBondContact OH-ND2 2.92Å; Y44-N100 VanDerWaalsContact OH-ND2 3.11Å
45F98.2Very high97.8Very high22 Ų2269.5 Ų69.510%0.09637%0.373CS..G310 helixtrans-115.29.1-177-59.3-75.8000112.9L31 M34 L35 T41 K42 T43 H47 W48 M51 H61L31-F45 HydrophobicContact CD1-CE2 4.42Å; L31-F45 HydrophobicContact CD1-CZ 4.17Å; M34-F45 HydrophobicContact CE-CE2 3.71Å; M34-F45 HydrophobicContact CE-CZ 4.31Å; L35-F45 HydrophobicContact CD2-CD2 3.59Å; L35-F45 HydrophobicContact CD2-CE2 4.12Å; L35-F45 HydrophobicContact CD2-CG 4.3Å; T41-F45 WeakPolarHBondContact O-CD2 3.41Å; K42-F45 CarbonylContact O-C 3.58Å; K42-F45 PolarHBondContact O-N 3.39Å; T43-F45 PolarHBondContact O-N 3.08Å; F45-H47 PolarHBondContact O-N 3.37Å; F45-W48 HydrophobicContact CB-CD2 4.11Å; F45-W48 HydrophobicContact CB-CE3 3.93Å; F45-W48 HydrophobicContact CB-CZ3 4.18Å; F45-W48 HydrophobicContact CD1-CD2 4.14Å; F45-W48 AromaticContact CD1-CE2 3.82Å; F45-W48 HydrophobicContact CD1-CE3 4.02Å; F45-W48 AromaticContact CD1-CH2 3.19Å; F45-W48 HydrophobicContact CD1-CH2 3.19Å; F45-W48 AromaticContact CD1-CZ2 3.36Å; F45-W48 HydrophobicContact CD1-CZ2 3.36Å; F45-W48 AromaticContact CD1-CZ3 3.57Å; F45-W48 HydrophobicContact CD1-CZ3 3.57Å; F45-W48 AromaticContact CE1-CH2 3.47Å; F45-W48 HydrophobicContact CE1-CH2 3.47Å; F45-W48 VanDerWaalsContact CE1-CH2 3.47Å; F45-W48 AromaticContact CE1-CZ2 3.78Å; F45-W48 HydrophobicContact CE1-CZ2 3.78Å; F45-W48 HydrophobicContact CE1-CZ3 4.15Å; F45-W48 HydrophobicContact CG-CE3 4.22Å; F45-W48 HydrophobicContact CG-CH2 4.06Å; F45-W48 HydrophobicContact CG-CZ2 4.43Å; F45-W48 AromaticContact CG-CZ3 3.96Å; F45-W48 HydrophobicContact CG-CZ3 3.96Å; F45-W48 WeakPolarHBondContact O-CB 3.41Å; F45-W48 PolarHBondContact O-N 3.36Å; F45-M51 HydrophobicContact CB-CE 4.1Å; F45-M51 HydrophobicContact CB-SD 3.98Å; F45-M51 WeakPolarHBondContact O-CE 3.45Å; F45-H61 AromaticContact CE1-CD2 3.54Å; F45-H61 AromaticContact CE1-NE2 3.6Å; F45-H61 AromaticContact CZ-NE2 4Å
46S97Very high97.8Very high90 Ų9073.1 Ų73.163%0.62940%0.403SS*.THydrogen-bonded Turntrans-53.1-18.9-176.252.10000115.8K42 T43 W48K42-S46 PolarHBondContact O-N 2.95Å; T43-S46 WeakPolarHBondContact O-CB 3.49Å; T43-S46 PolarHBondContact O-N 2.88Å; T43-S46 PolarHBondContact O-OG 3.36Å; S46-W48 VanDerWaalsContact C-N 3.3Å
47H96.6Very high97.8Very high137 Ų13771.1 Ų71.163%0.63439%0.392SS*.THydrogen-bonded Turntrans-76.1-12173.762.9-79000113.9F45F45-H47 PolarHBondContact O-N 3.37Å
48W98.2Very high97.8Very high38 Ų3866.8 Ų66.814%0.14437%0.365CS..  trans-82.3131.7174.8-66-5.2000111.4L31 L35 F45 S46 D50 M51 P57 V58 H61L31-W48 HydrophobicContact CD2-CH2 3.98Å; L31-W48 HydrophobicContact CD2-CZ3 4.24Å; L35-W48 HydrophobicContact CD1-CZ3 4.22Å; F45-W48 HydrophobicContact CB-CD2 4.11Å; F45-W48 HydrophobicContact CB-CE3 3.93Å; F45-W48 HydrophobicContact CB-CZ3 4.18Å; F45-W48 HydrophobicContact CD1-CD2 4.14Å; F45-W48 AromaticContact CD1-CE2 3.82Å; F45-W48 HydrophobicContact CD1-CE3 4.02Å; F45-W48 AromaticContact CD1-CH2 3.19Å; F45-W48 HydrophobicContact CD1-CH2 3.19Å; F45-W48 AromaticContact CD1-CZ2 3.36Å; F45-W48 HydrophobicContact CD1-CZ2 3.36Å; F45-W48 AromaticContact CD1-CZ3 3.57Å; F45-W48 HydrophobicContact CD1-CZ3 3.57Å; F45-W48 AromaticContact CE1-CH2 3.47Å; F45-W48 HydrophobicContact CE1-CH2 3.47Å; F45-W48 VanDerWaalsContact CE1-CH2 3.47Å; F45-W48 AromaticContact CE1-CZ2 3.78Å; F45-W48 HydrophobicContact CE1-CZ2 3.78Å; F45-W48 HydrophobicContact CE1-CZ3 4.15Å; F45-W48 HydrophobicContact CG-CE3 4.22Å; F45-W48 HydrophobicContact CG-CH2 4.06Å; F45-W48 HydrophobicContact CG-CZ2 4.43Å; F45-W48 AromaticContact CG-CZ3 3.96Å; F45-W48 HydrophobicContact CG-CZ3 3.96Å; F45-W48 WeakPolarHBondContact O-CB 3.41Å; F45-W48 PolarHBondContact O-N 3.36Å; S46-W48 VanDerWaalsContact C-N 3.3Å; W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.27Å; W48-M51 HydrophobicContact CB-CG 4.17Å; W48-M51 HydrophobicContact CE3-CG 4.27Å; W48-P57 HydrophobicContact CB-CB 4.32Å; W48-P57 HydrophobicContact CD2-CB 3.5Å; W48-P57 HydrophobicContact CE3-CB 3.77Å; W48-P57 HydrophobicContact CG-CB 3.75Å; W48-P57 HydrophobicContact CG-CG 4.4Å; W48-P57 HydrophobicContact CZ2-CB 4.47Å; W48-P57 HydrophobicContact CZ3-CB 4.38Å; W48-V58 HydrophobicContact CE3-CG2 4.23Å; W48-V58 HydrophobicContact CZ3-CG2 3.89Å; W48-H61 HydrophobicContact CH2-CB 3.39Å; W48-H61 AromaticContact CH2-CD2 3.86Å; W48-H61 AromaticContact CH2-CG 3.69Å; W48-H61 HydrophobicContact CZ2-CB 3.55Å; W48-H61 AromaticContact CZ2-CG 3.72Å
49K96.2Very high97.8Very high220 Ų22069.4 Ų69.496%0.95738%0.378SS*.SBendtrans-68.6-26.6174.5-64.1-173.9178.8-176.80113.1
50D97.9Very high97.9Very high71 Ų7173.5 Ų73.538%0.3839%0.388SS..  trans-142.4111.3-176.6-177.511.8000111.2W48 S52 S55W48-D50 VanDerWaalsContact C-N 3.27Å; W48-D50 PolarHBondContact O-N 3.27Å; D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.34Å; D50-S52 PolarHBondContact OD1-N 3.23Å; D50-S52 PolarHBondContact OD1-OG 2.94Å; D50-S52 PolarHBondContact OD2-OG 3.43Å; D50-S55 VanDerWaalsContact CG-CB 3.48Å; D50-S55 PolarHBondContact O-OG 2.89Å; D50-S55 WeakPolarHBondContact OD2-CB 3.37Å
51M98.2Very high97.9Very high40 Ų4071.6 Ų71.620%0.19738%0.379CS..  trans-105.213.4175.6-56.9-173-153.800112.4L35 K42 F45 W48L35-M51 HydrophobicContact CD1-CB 4.33Å; K42-M51 HydrophobicContact CB-SD 3.92Å; K42-M51 HydrophobicContact CD-SD 4.32Å; K42-M51 HydrophobicContact CG-SD 4.01Å; F45-M51 HydrophobicContact CB-CE 4.1Å; F45-M51 HydrophobicContact CB-SD 3.98Å; F45-M51 WeakPolarHBondContact O-CE 3.45Å; W48-M51 HydrophobicContact CB-CG 4.17Å; W48-M51 HydrophobicContact CE3-CG 4.27Å
52S98.1Very high97.9Very high54 Ų5471.5 Ų71.538%0.37838%0.378SS..SBendtrans-64.6151.3177.865.60000111.2D50 G54 S55D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.34Å; D50-S52 PolarHBondContact OD1-N 3.23Å; D50-S52 PolarHBondContact OD1-OG 2.94Å; D50-S52 PolarHBondContact OD2-OG 3.43Å; S52-G54 PolarHBondContact O-N 2.91Å; S52-S55 VanDerWaalsContact O-CB 3.32Å; S52-S55 WeakPolarHBondContact O-CB 3.36Å; S52-S55 PolarHBondContact O-N 3.41Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 PolarHBondContact O-OG 2.82Å
53P98.3Very high98Very high83 Ų8368.9 Ų68.954%0.53937%0.373SS..THydrogen-bonded Turntrans-51.8127.8174.6-29.937.7000112.3S32 V36 S55S32-P53 WeakPolarHBondContact OG-CA 3.34Å; V36-P53 HydrophobicContact CG2-CG 3.72Å; P53-S55 VanDerWaalsContact C-N 3.3Å; P53-S55 PolarHBondContact O-N 3.47Å
54G94.9Very high98Very high31 Ų3168.7 Ų68.732%0.3237%0.372SS..THydrogen-bonded Turntrans77.75.9178.900000116S32 S52 K59S32-G54 PolarHBondContact OG-N 3.11Å; S52-G54 PolarHBondContact O-N 2.91Å; G54-K59 WeakPolarHBondContact O-CD 3.49Å; G54-K59 WeakPolarHBondContact O-CE 3.36Å; G54-K59 PolarHBondContact O-NZ 3.4Å; G54-K59 VanDerWaalsContact O-NZ 3.12Å
55S98.5Very high98Very high7 Ų766.9 Ų66.95%0.04937%0.368CS..  trans-59.5156.8171.981.10000111.8D50 S52 P53 P57 V58 K59D50-S55 VanDerWaalsContact CG-CB 3.48Å; D50-S55 PolarHBondContact O-OG 2.89Å; D50-S55 WeakPolarHBondContact OD2-CB 3.37Å; S52-S55 VanDerWaalsContact O-CB 3.32Å; S52-S55 WeakPolarHBondContact O-CB 3.36Å; S52-S55 PolarHBondContact O-N 3.41Å; S52-S55 VanDerWaalsContact O-N 3.08Å; S52-S55 PolarHBondContact O-OG 2.82Å; P53-S55 VanDerWaalsContact C-N 3.3Å; P53-S55 PolarHBondContact O-N 3.47Å; S55-P57 WeakPolarHBondContact OG-CD 3.46Å; S55-V58 PolarHBondContact O-N 3.12Å; S55-V58 VanDerWaalsContact OG-CG2 3.26Å; S55-V58 WeakPolarHBondContact OG-CG2 3.49Å; S55-V58 PolarHBondContact OG-N 3.04Å; S55-K59 PolarHBondContact O-N 2.84Å
56A98.4Very high98Very high77 Ų7766.2 Ų66.264%0.63637%0.365SS*.Hα-helixtrans-59.8-43.7-179.300000113.4V58 K59 K60A56-V58 PolarHBondContact O-N 3.06Å; A56-K59 PolarHBondContact O-N 3Å; A56-K60 WeakPolarHBondContact O-CB 3.34Å; A56-K60 PolarHBondContact O-N 3.47Å
57P98.6Very high98.1Very high42 Ų4263.8 Ų63.827%0.27335%0.354SS..Hα-helixtrans-59.1-43.5173.3-24.634.2000113.1W48 S55 K60 H61W48-P57 HydrophobicContact CB-CB 4.32Å; W48-P57 HydrophobicContact CD2-CB 3.5Å; W48-P57 HydrophobicContact CE3-CB 3.77Å; W48-P57 HydrophobicContact CG-CB 3.75Å; W48-P57 HydrophobicContact CG-CG 4.4Å; W48-P57 HydrophobicContact CZ2-CB 4.47Å; W48-P57 HydrophobicContact CZ3-CB 4.38Å; S55-P57 WeakPolarHBondContact OG-CD 3.46Å; P57-K60 PolarHBondContact O-N 3.48Å; P57-H61 WeakPolarHBondContact O-CB 3.24Å; P57-H61 PolarHBondContact O-N 3.12Å
58V98.6Very high98.2Very high0 Ų058.2 Ų58.20%033%0.334CS..Hα-helixtrans-64.7-45.4-179.6171.40000111.1L31 S32 L35 W48 S55 A56 H61 G62L31-V58 HydrophobicContact CB-CG1 4.24Å; L31-V58 HydrophobicContact CD2-CG1 4.18Å; L31-V58 HydrophobicContact CG-CG1 4.17Å; S32-V58 VanDerWaalsContact OG-CG1 3.3Å; S32-V58 WeakPolarHBondContact OG-CG1 3.48Å; L35-V58 HydrophobicContact CD1-CG2 3.84Å; W48-V58 HydrophobicContact CE3-CG2 4.23Å; W48-V58 HydrophobicContact CZ3-CG2 3.89Å; S55-V58 PolarHBondContact O-N 3.12Å; S55-V58 VanDerWaalsContact OG-CG2 3.26Å; S55-V58 WeakPolarHBondContact OG-CG2 3.49Å; S55-V58 PolarHBondContact OG-N 3.04Å; A56-V58 PolarHBondContact O-N 3.06Å; V58-H61 PolarHBondContact O-N 3.11Å; V58-G62 PolarHBondContact O-N 3.1Å
59K98.6Very high98.2Very high118 Ų11857 Ų5751%0.51333%0.33SS..Hα-helixtrans-60.6-48.9176.5-75.3173.5172.1162.10111.9A28 G54 S55 A56 H61 G62 A63A28-K59 HydrophobicContact CB-CG 3.98Å; G54-K59 WeakPolarHBondContact O-CD 3.49Å; G54-K59 WeakPolarHBondContact O-CE 3.36Å; G54-K59 PolarHBondContact O-NZ 3.4Å; G54-K59 VanDerWaalsContact O-NZ 3.12Å; S55-K59 PolarHBondContact O-N 2.84Å; A56-K59 PolarHBondContact O-N 3Å; K59-H61 PolarHBondContact O-N 2.99Å; K59-G62 PolarHBondContact O-N 3.41Å; K59-A63 PolarHBondContact O-N 3.42Å
60K98.6Very high98.3Very high164 Ų16448.2 Ų48.271%0.71330%0.299SS*.Hα-helixtrans-61.1-45.4-179.4-177.3177.2179.6179.70111.9A56 P57 T64A56-K60 WeakPolarHBondContact O-CB 3.34Å; A56-K60 PolarHBondContact O-N 3.47Å; P57-K60 PolarHBondContact O-N 3.48Å; K60-T64 PolarHBondContact O-N 2.78Å; K60-T64 PolarHBondContact O-OG1 2.86Å
61H98.6Very high98.3Very high62 Ų6249 Ų4929%0.28730%0.3SS..Hα-helixtrans-75.1-34.6-179.2-163.768.8000112.3L31 F45 W48 P57 V58 K59 A63 T64 V65L31-H61 HydrophobicContact CD2-CB 3.87Å; F45-H61 AromaticContact CE1-CD2 3.54Å; F45-H61 AromaticContact CE1-NE2 3.6Å; F45-H61 AromaticContact CZ-NE2 4Å; W48-H61 HydrophobicContact CH2-CB 3.39Å; W48-H61 AromaticContact CH2-CD2 3.86Å; W48-H61 AromaticContact CH2-CG 3.69Å; W48-H61 HydrophobicContact CZ2-CB 3.55Å; W48-H61 AromaticContact CZ2-CG 3.72Å; P57-H61 WeakPolarHBondContact O-CB 3.24Å; P57-H61 PolarHBondContact O-N 3.12Å; V58-H61 PolarHBondContact O-N 3.11Å; K59-H61 PolarHBondContact O-N 2.99Å; H61-A63 VanDerWaalsContact C-N 3.3Å; H61-A63 PolarHBondContact O-N 3.36Å; H61-T64 WeakPolarHBondContact O-CA 3.49Å; H61-T64 VanDerWaalsContact O-CB 3.29Å; H61-T64 WeakPolarHBondContact O-CB 3.45Å; H61-T64 PolarHBondContact O-N 2.84Å; H61-V65 WeakPolarHBondContact O-CG2 3.37Å; H61-V65 PolarHBondContact O-N 3.06Å
62G98.7Very high98.3Very high0 Ų047 Ų470%029%0.291CS..Hα-helixtrans-56.1-44.3171.400000112.3G27 V58 K59 T64 V65 M66G27-G62 VanDerWaalsContact C-CA 3.47Å; G27-G62 WeakPolarHBondContact CA-O 3.16Å; G27-G62 WeakPolarHBondContact O-CA 3.44Å; V58-G62 PolarHBondContact O-N 3.1Å; K59-G62 PolarHBondContact O-N 3.41Å; G62-T64 VanDerWaalsContact C-N 3.33Å; G62-T64 PolarHBondContact O-N 2.89Å; G62-V65 PolarHBondContact O-N 2.88Å; G62-M66 PolarHBondContact O-N 3.45Å
63A98.6Very high98.4Very high31 Ų3145 Ų4526%0.25628%0.276SS..Hα-helixtrans-61.4-40.8172.600000112.3E24 K59 H61 M66 G67E24-A63 HydrophobicContact CB-CB 4.43Å; E24-A63 HydrophobicContact CG-CB 3.96Å; K59-A63 PolarHBondContact O-N 3.42Å; H61-A63 VanDerWaalsContact C-N 3.3Å; H61-A63 PolarHBondContact O-N 3.36Å; A63-M66 PolarHBondContact O-N 2.79Å; A63-G67 PolarHBondContact O-N 3.26Å
64T98.5Very high98.4Very high87 Ų8744.8 Ų44.853%0.53428%0.281SS..Hα-helixtrans-61.3-45.2176.5-55.20000111.5K60 H61 G62 M66 G67 G68K60-T64 PolarHBondContact O-N 2.78Å; K60-T64 PolarHBondContact O-OG1 2.86Å; H61-T64 WeakPolarHBondContact O-CA 3.49Å; H61-T64 VanDerWaalsContact O-CB 3.29Å; H61-T64 WeakPolarHBondContact O-CB 3.45Å; H61-T64 PolarHBondContact O-N 2.84Å; G62-T64 VanDerWaalsContact C-N 3.33Å; G62-T64 PolarHBondContact O-N 2.89Å; T64-M66 PolarHBondContact O-N 3.02Å; T64-G67 PolarHBondContact O-N 3.47Å; T64-G68 PolarHBondContact O-N 3Å; T64-G68 VanDerWaalsContact O-N 3.12Å
65V98.5Very high98.5Very high31 Ų3148.2 Ų48.219%0.18829%0.288CS..Hα-helixtrans-58.3-48.6175.9165.50000110.8H61 G62 G67 G68 V69 L104H61-V65 WeakPolarHBondContact O-CG2 3.37Å; H61-V65 PolarHBondContact O-N 3.06Å; G62-V65 PolarHBondContact O-N 2.88Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 3.22Å; V65-G68 WeakPolarHBondContact O-CA 3.36Å; V65-G68 PolarHBondContact O-N 3.28Å; V65-V69 PolarHBondContact O-N 2.99Å; V65-L104 HydrophobicContact CG1-CD2 3.86Å; V65-L104 HydrophobicContact CG2-CD2 4.41Å
66M98.6Very high98.5Very high7 Ų748.1 Ų48.13%0.03429%0.286CS..Hα-helixtrans-70.2-24.9-179-66.9-56.7-63.700112.8W16 G23 I26 G27 G62 A63 T64 V69 A70 I108W16-M66 HydrophobicContact CH2-CE 3.75Å; W16-M66 HydrophobicContact CZ3-CE 3.67Å; G23-M66 VanDerWaalsContact O-CG 3.26Å; G23-M66 WeakPolarHBondContact O-CG 3.44Å; I26-M66 HydrophobicContact CB-CE 4.29Å; I26-M66 HydrophobicContact CG2-CE 3.74Å; I26-M66 HydrophobicContact CG2-SD 4.02Å; G27-M66 VanDerWaalsContact CA-CG 3.43Å; G62-M66 PolarHBondContact O-N 3.45Å; A63-M66 PolarHBondContact O-N 2.79Å; T64-M66 PolarHBondContact O-N 3.02Å; M66-V69 HydrophobicContact CE-CB 4.37Å; M66-V69 HydrophobicContact CE-CG1 4.37Å; M66-V69 PolarHBondContact O-N 3Å; M66-V69 HydrophobicContact SD-CB 4.39Å; M66-V69 HydrophobicContact SD-CG2 4.05Å; M66-A70 PolarHBondContact O-N 2.97Å; M66-I108 HydrophobicContact SD-CD1 4.27Å; M66-I108 HydrophobicContact SD-CG1 4.5Å
67G98.5Very high98.5Very high40 Ų4049.7 Ų49.741%0.41228%0.284SS..Hα-helixtrans-61.1-44.1165.200000112.6A63 T64 V65 V69 A70 E71A63-G67 PolarHBondContact O-N 3.26Å; T64-G67 PolarHBondContact O-N 3.47Å; V65-G67 VanDerWaalsContact C-N 3.27Å; V65-G67 PolarHBondContact O-N 3.22Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 3.35Å; G67-A70 VanDerWaalsContact O-CB 3.31Å; G67-A70 WeakPolarHBondContact O-CB 3.21Å; G67-A70 PolarHBondContact O-N 3.49Å; G67-E71 PolarHBondContact O-N 3.22Å
68G98.3Very high98.4Very high20 Ų2051.6 Ų51.621%0.20629%0.292CS..Hα-helixtrans-64-36.217300000113.2T64 V65 E71 A72T64-G68 PolarHBondContact O-N 3Å; T64-G68 VanDerWaalsContact O-N 3.12Å; V65-G68 WeakPolarHBondContact O-CA 3.36Å; V65-G68 PolarHBondContact O-N 3.28Å; G68-E71 PolarHBondContact O-N 3.49Å; G68-A72 WeakPolarHBondContact O-CB 3.25Å; G68-A72 PolarHBondContact O-N 2.76Å
69V98.6Very high98.4Very high11 Ų1152.3 Ų52.37%0.06730%0.296CS..Hα-helixtrans-64.7-40.6172.2178.80000111W16 V65 M66 G67 E71 A72 V73 I108 F131W16-V69 HydrophobicContact CE3-CG1 4.33Å; W16-V69 HydrophobicContact CH2-CB 4.2Å; W16-V69 HydrophobicContact CH2-CG1 3.88Å; W16-V69 HydrophobicContact CZ3-CB 4.36Å; W16-V69 HydrophobicContact CZ3-CG1 3.57Å; V65-V69 PolarHBondContact O-N 2.99Å; M66-V69 HydrophobicContact CE-CB 4.37Å; M66-V69 HydrophobicContact CE-CG1 4.37Å; M66-V69 PolarHBondContact O-N 3Å; M66-V69 HydrophobicContact SD-CB 4.39Å; M66-V69 HydrophobicContact SD-CG2 4.05Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 3.35Å; V69-E71 PolarHBondContact O-N 3.48Å; V69-A72 WeakPolarHBondContact O-CB 2.95Å; V69-A72 PolarHBondContact O-N 3.41Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 3.3Å; V69-I108 HydrophobicContact CG2-CD1 4.42Å; V69-F131 HydrophobicContact CG1-CE1 4.1Å
70A98.6Very high98.2Very high36 Ų3649.5 Ų49.530%0.29829%0.288SS..Hα-helixtrans-60.3-45.3175.600000111.7W16 M66 G67 A72 V73 A74W16-A70 HydrophobicContact CH2-CB 4.28Å; W16-A70 HydrophobicContact CZ2-CB 3.5Å; M66-A70 PolarHBondContact O-N 2.97Å; G67-A70 VanDerWaalsContact O-CB 3.31Å; G67-A70 WeakPolarHBondContact O-CB 3.21Å; G67-A70 PolarHBondContact O-N 3.49Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.28Å; A70-V73 PolarHBondContact O-N 2.68Å; A70-A74 PolarHBondContact O-N 3.19Å
71E98.4Very high98.2Very high87 Ų8745.3 Ų45.341%0.40728%0.28SS..Hα-helixtrans-59.4-44.5174.4-178.4173.8-164.100111.3G67 G68 V69 V73 A74 K75 L83G67-E71 PolarHBondContact O-N 3.22Å; G68-E71 PolarHBondContact O-N 3.49Å; V69-E71 PolarHBondContact O-N 3.48Å; E71-V73 VanDerWaalsContact C-N 3.34Å; E71-V73 PolarHBondContact O-N 2.99Å; E71-A74 WeakPolarHBondContact O-CB 3.29Å; E71-A74 PolarHBondContact O-N 3.47Å; E71-A74 VanDerWaalsContact O-N 3.12Å; E71-K75 HydrophobicContact CG-CG 4.4Å; E71-K75 WeakPolarHBondContact O-CB 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.35Å; E71-K75 PolarHBondContact O-N 2.91Å; E71-L83 HydrophobicContact CG-CD2 4.34Å
72A98.6Very high98.1Very high0 Ų043.2 Ų43.20%028%0.275CS..Hα-helixtrans-61.3-38.7175.900000113G68 V69 A70 A74 K75 I76 L79 L83 F131 V135G68-A72 WeakPolarHBondContact O-CB 3.25Å; G68-A72 PolarHBondContact O-N 2.76Å; V69-A72 WeakPolarHBondContact O-CB 2.95Å; V69-A72 PolarHBondContact O-N 3.41Å; A70-A72 VanDerWaalsContact C-N 3.33Å; A70-A72 PolarHBondContact O-N 3.28Å; A72-A74 VanDerWaalsContact C-N 3.33Å; A72-K75 CarbonylContact O-C 3.13Å; A72-K75 PolarHBondContact O-N 2.98Å; A72-I76 WeakPolarHBondContact O-CA 3.39Å; A72-I76 PolarHBondContact O-N 2.89Å; A72-L79 HydrophobicContact CB-CD2 3.95Å; A72-L79 VanDerWaalsContact O-CD2 3.24Å; A72-L79 WeakPolarHBondContact O-CD2 3.38Å; A72-L83 HydrophobicContact CB-CD1 4Å; A72-L83 HydrophobicContact CB-CD2 4.11Å; A72-F131 HydrophobicContact CB-CE2 4.11Å; A72-F131 HydrophobicContact CB-CZ 3.7Å; A72-V135 HydrophobicContact CB-CG1 4.49Å; A72-V135 HydrophobicContact CB-CG2 3.64Å
73V98.6Very high98Very high10 Ų1043.3 Ų43.36%0.06128%0.276CS..Hα-helixtrans-64-40173.9173.70000110.8V12 K13 W16 V69 A70 E71 K75 I76 F131V12-V73 HydrophobicContact CG1-CG2 4.06Å; K13-V73 HydrophobicContact CG-CG1 4.24Å; W16-V73 HydrophobicContact CB-CG1 4.14Å; W16-V73 HydrophobicContact CB-CG2 4.37Å; W16-V73 HydrophobicContact CD2-CG2 3.9Å; W16-V73 HydrophobicContact CE3-CG2 4.14Å; W16-V73 HydrophobicContact CG-CB 4.32Å; W16-V73 HydrophobicContact CG-CG1 3.94Å; W16-V73 HydrophobicContact CG-CG2 3.98Å; V69-V73 WeakPolarHBondContact O-CG2 3.38Å; V69-V73 PolarHBondContact O-N 3.3Å; A70-V73 PolarHBondContact O-N 2.68Å; E71-V73 VanDerWaalsContact C-N 3.34Å; E71-V73 PolarHBondContact O-N 2.99Å; V73-K75 VanDerWaalsContact C-N 3.3Å; V73-K75 PolarHBondContact O-N 3.47Å; V73-I76 WeakPolarHBondContact O-CB 3.47Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; V73-I76 PolarHBondContact O-N 3.1Å; V73-F131 HydrophobicContact CB-CZ 4.42Å; V73-F131 HydrophobicContact CG2-CE1 3.87Å; V73-F131 HydrophobicContact CG2-CE2 4.29Å; V73-F131 HydrophobicContact CG2-CZ 3.53Å
74A98.4Very high98Very high79 Ų7944.9 Ų44.965%0.65328%0.279SS*.Hα-helixtrans-67.1-31176.100000112.7A70 E71 A72A70-A74 PolarHBondContact O-N 3.19Å; E71-A74 WeakPolarHBondContact O-CB 3.29Å; E71-A74 PolarHBondContact O-N 3.47Å; E71-A74 VanDerWaalsContact O-N 3.12Å; A72-A74 VanDerWaalsContact C-N 3.33Å
75K98.3Very high97.9Very high104 Ų10445.2 Ų45.245%0.45229%0.285SS..THydrogen-bonded Turntrans-100.317.7179.7-59.5-65.5-176174.50113.8E71 A72 V73 D77 D78 L79E71-K75 HydrophobicContact CG-CG 4.4Å; E71-K75 WeakPolarHBondContact O-CB 3.41Å; E71-K75 WeakPolarHBondContact O-CG 3.35Å; E71-K75 PolarHBondContact O-N 2.91Å; A72-K75 CarbonylContact O-C 3.13Å; A72-K75 PolarHBondContact O-N 2.98Å; V73-K75 VanDerWaalsContact C-N 3.3Å; V73-K75 PolarHBondContact O-N 3.47Å; K75-D77 PolarHBondContact O-N 3.15Å; K75-D78 CarbonylContact O-C 3.38Å; K75-D78 PolarHBondContact O-N 2.97Å; K75-L79 PolarHBondContact O-N 3.04Å
76I98.2Very high97.9Very high5 Ų545.9 Ų45.93%0.02629%0.287CS..THydrogen-bonded Turntrans-60.7-16.5-169.9-158.9169.6000115L4 K9 V12 A72 V73 F131L4-I76 HydrophobicContact CD1-CD1 3.97Å; L4-I76 HydrophobicContact CD1-CG1 3.59Å; K9-I76 HydrophobicContact CB-CD1 4.26Å; K9-I76 HydrophobicContact CD-CG2 4.47Å; K9-I76 HydrophobicContact CG-CD1 4.11Å; K9-I76 HydrophobicContact CG-CG1 4.12Å; K9-I76 HydrophobicContact CG-CG2 4.37Å; V12-I76 HydrophobicContact CB-CD1 3.93Å; V12-I76 HydrophobicContact CG1-CD1 3.71Å; V12-I76 HydrophobicContact CG2-CD1 4.42Å; A72-I76 WeakPolarHBondContact O-CA 3.39Å; A72-I76 PolarHBondContact O-N 2.89Å; V73-I76 WeakPolarHBondContact O-CB 3.47Å; V73-I76 WeakPolarHBondContact O-CG2 3.49Å; V73-I76 PolarHBondContact O-N 3.1Å; I76-F131 HydrophobicContact CD1-CD2 3.67Å; I76-F131 HydrophobicContact CD1-CE2 3.95Å; I76-F131 HydrophobicContact CG1-CD2 3.87Å; I76-F131 HydrophobicContact CG1-CE2 3.96Å
77D97.4Very high97.8Very high109 Ų10945.6 Ų45.658%0.58329%0.286SS*.THydrogen-bonded Turntrans-80.2-27.7175.6-67.4-53.6000113.4K9 K13 K75K9-D77 WeakPolarHBondContact CD-OD1 3.21Å; K9-D77 WeakPolarHBondContact CE-OD1 3.32Å; K9-D77 IonicContact NZ-OD1 3.53Å; K9-D77 PolarHBondContact NZ-OD1 3.49Å; K13-D77 IonicContact NZ-OD2 2.97Å; K75-D77 PolarHBondContact O-N 3.15Å
78D97.3Very high97.8Very high82 Ų8247.5 Ų47.544%0.43928%0.284SS..  trans-146.479.4174.2-175.34.8000110.9K75 T80 S81 G82K75-D78 CarbonylContact O-C 3.38Å; K75-D78 PolarHBondContact O-N 2.97Å; D78-T80 VanDerWaalsContact C-N 3.34Å; D78-T80 PolarHBondContact OD1-N 3.11Å; D78-S81 VanDerWaalsContact CG-OG 3.3Å; D78-S81 PolarHBondContact OD1-N 2.92Å; D78-S81 VanDerWaalsContact OD1-N 3.16Å; D78-S81 PolarHBondContact OD1-OG 3.01Å; D78-S81 WeakPolarHBondContact OD2-CB 3.5Å; D78-S81 PolarHBondContact OD2-OG 2.91Å; D78-G82 WeakPolarHBondContact O-CA 3.43Å; D78-G82 PolarHBondContact O-N 2.93Å
79L98Very high97.8Very high16 Ų1649.9 Ų49.98%0.08429%0.292CS..Hα-helixtrans-67.3-33.6-179.6-69.4172.7000112.7L4 A72 K75 G82 L83 F131 A134 V135 A138L4-L79 HydrophobicContact CD1-CD1 4.4Å; A72-L79 HydrophobicContact CB-CD2 3.95Å; A72-L79 VanDerWaalsContact O-CD2 3.24Å; A72-L79 WeakPolarHBondContact O-CD2 3.38Å; K75-L79 PolarHBondContact O-N 3.04Å; L79-G82 PolarHBondContact O-N 3.16Å; L79-L83 HydrophobicContact CB-CD1 4.49Å; L79-L83 HydrophobicContact CD2-CD1 4.16Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.24Å; L79-F131 HydrophobicContact CD2-CE2 4.3Å; L79-A134 HydrophobicContact CD1-CB 3.65Å; L79-V135 HydrophobicContact CD1-CG2 4.23Å; L79-V135 HydrophobicContact CD2-CG2 4.29Å; L79-A138 HydrophobicContact CB-CB 3.91Å; L79-A138 WeakPolarHBondContact O-CB 3.3Å
80T95.9Very high97.8Very high58 Ų5851.4 Ų51.436%0.35630%0.298SS..Hα-helixtrans-65.6-49.9-176.7-62.70000110.6D78 E141D78-T80 VanDerWaalsContact C-N 3.34Å; D78-T80 PolarHBondContact OD1-N 3.11Å; T80-E141 HydrophobicContact CG2-CB 4.49Å; T80-E141 HydrophobicContact CG2-CG 3.82Å
81S96.7Very high97.7Very high76 Ų7650.2 Ų50.253%0.53129%0.289SS..Hα-helixtrans-71.7-39.1175.2-49.40000111.3D78 L83 L84D78-S81 VanDerWaalsContact CG-OG 3.3Å; D78-S81 PolarHBondContact OD1-N 2.92Å; D78-S81 VanDerWaalsContact OD1-N 3.16Å; D78-S81 PolarHBondContact OD1-OG 3.01Å; D78-S81 WeakPolarHBondContact OD2-CB 3.5Å; D78-S81 PolarHBondContact OD2-OG 2.91Å; S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.36Å; S81-L84 WeakPolarHBondContact O-CB 3.31Å; S81-L84 PolarHBondContact O-N 3.11Å
82G96.9Very high97.6Very high18 Ų1852 Ų5219%0.18630%0.295CS..Hα-helixtrans-65.1-30.3-176.200000114.6D78 L79D78-G82 WeakPolarHBondContact O-CA 3.43Å; D78-G82 PolarHBondContact O-N 2.93Å; L79-G82 PolarHBondContact O-N 3.16Å
83L97.9Very high97.5Very high3 Ų357 Ų572%0.01633%0.326CS..THydrogen-bonded Turntrans-109.216.2-177.4-55.9178.3000113.1E71 A72 L79 S81 S85 L86 S87 V135 A138 L139E71-L83 HydrophobicContact CG-CD2 4.34Å; A72-L83 HydrophobicContact CB-CD1 4Å; A72-L83 HydrophobicContact CB-CD2 4.11Å; L79-L83 HydrophobicContact CB-CD1 4.49Å; L79-L83 HydrophobicContact CD2-CD1 4.16Å; L79-L83 WeakPolarHBondContact O-CB 3.39Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.24Å; S81-L83 VanDerWaalsContact C-N 3.32Å; S81-L83 PolarHBondContact O-N 3.36Å; L83-S85 PolarHBondContact O-N 3.22Å; L83-L86 HydrophobicContact CD2-CD1 4.13Å; L83-L86 PolarHBondContact O-N 2.77Å; L83-L86 VanDerWaalsContact O-N 3.11Å; L83-S87 PolarHBondContact O-N 3.25Å; L83-V135 HydrophobicContact CD1-CB 4.48Å; L83-V135 HydrophobicContact CD1-CG1 3.97Å; L83-V135 HydrophobicContact CD1-CG2 4.41Å; L83-A138 HydrophobicContact CB-CB 4.41Å; L83-A138 HydrophobicContact CD1-CB 4.05Å; L83-L139 HydrophobicContact CB-CD2 4.37Å
84L97.5Very high97.4Very high64 Ų6460.6 Ų60.634%0.33534%0.344SS..Hα-helixtrans-54.1-50.3-175.2-171.565.2000112.4S81 L86 S87 E88 K142S81-L84 WeakPolarHBondContact O-CB 3.31Å; S81-L84 PolarHBondContact O-N 3.11Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.36Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.96Å; L84-S87 VanDerWaalsContact O-N 3.08Å; L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 3.48Å; L84-K142 HydrophobicContact CD1-CD 4.29Å; L84-K142 HydrophobicContact CD1-CG 4.17Å
85S97.2Very high97.4Very high94 Ų9466.1 Ų66.166%0.65735%0.348SS*.Hα-helixtrans-62.8-36.1-180-50.30000112.5L83 L89L83-S85 PolarHBondContact O-N 3.22Å; S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 2.96Å
86L97.3Very high97.3Very high45 Ų4562 Ų6224%0.23633%0.332CS..Hα-helixtrans-70.1-36.8174.4-74.2176.7000111.4L83 L84 L89 H90 L139L83-L86 HydrophobicContact CD2-CD1 4.13Å; L83-L86 PolarHBondContact O-N 2.77Å; L83-L86 VanDerWaalsContact O-N 3.11Å; L84-L86 VanDerWaalsContact C-N 3.3Å; L84-L86 PolarHBondContact O-N 3.36Å; L86-L89 HydrophobicContact CD2-CD2 4.32Å; L86-L89 PolarHBondContact O-N 3.27Å; L86-H90 PolarHBondContact O-N 3.33Å; L86-H90 PolarHBondContact O-ND1 3.25Å; L86-L139 HydrophobicContact CB-CD2 3.54Å
87S98Very high97.3Very high0 Ų065.9 Ų65.90%035%0.353CS..Hα-helixtrans-60.9-48.6173.6-173.30000111.1L83 L84 L89 H90 A91 A138 L139 E141 K142L83-S87 PolarHBondContact O-N 3.25Å; L84-S87 WeakPolarHBondContact O-CB 3.29Å; L84-S87 PolarHBondContact O-N 2.96Å; L84-S87 VanDerWaalsContact O-N 3.08Å; S87-L89 PolarHBondContact O-N 3.16Å; S87-H90 PolarHBondContact O-N 3.03Å; S87-A91 WeakPolarHBondContact O-CB 3.41Å; S87-A91 PolarHBondContact O-N 2.9Å; S87-A138 PolarHBondContact OG-O 3.44Å; S87-L139 WeakPolarHBondContact CA-O 3.44Å; S87-L139 WeakPolarHBondContact CB-O 3.45Å; S87-L139 PolarHBondContact OG-O 3.04Å; S87-E141 PolarHBondContact OG-N 3.38Å; S87-K142 WeakPolarHBondContact OG-CB 3.38Å; S87-K142 PolarHBondContact OG-N 2.65Å
88E97.9Very high97.3Very high80 Ų8062.8 Ų62.837%0.37434%0.338SS..Hα-helixtrans-60.9-43.7177.7-67.9179.316300112.1L84 H90 A91 F92 K142L84-E88 WeakPolarHBondContact O-CG 3.39Å; L84-E88 PolarHBondContact O-N 3.48Å; E88-H90 PolarHBondContact O-N 3.4Å; E88-A91 PolarHBondContact O-N 2.89Å; E88-F92 HydrophobicContact CB-CD2 4.08Å; E88-F92 HydrophobicContact CB-CE2 4.4Å; E88-F92 HydrophobicContact CG-CD2 4.36Å; E88-F92 HydrophobicContact CG-CE2 4.19Å; E88-F92 WeakPolarHBondContact O-CB 3.42Å; E88-F92 WeakPolarHBondContact O-CD2 3.5Å; E88-F92 PolarHBondContact O-N 3.08Å; E88-K142 HydrophobicContact CG-CB 4.34Å; E88-K142 HydrophobicContact CG-CG 3.86Å
89L98Very high97.3Very high71 Ų7161.1 Ų61.137%0.37234%0.336SS..Iπ-helixtrans-57.7-50.4175.7176.266.2000111.3S85 L86 S87 T93 L94S85-L89 WeakPolarHBondContact O-CB 3.38Å; S85-L89 PolarHBondContact O-N 2.96Å; L86-L89 HydrophobicContact CD2-CD2 4.32Å; L86-L89 PolarHBondContact O-N 3.27Å; S87-L89 PolarHBondContact O-N 3.16Å; L89-T93 HydrophobicContact CD1-CG2 4.2Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 PolarHBondContact O-N 3.44Å; L89-L94 HydrophobicContact CD1-CD1 4.43Å; L89-L94 HydrophobicContact CD1-CG 4.19Å; L89-L94 HydrophobicContact CD2-CD1 4.33Å; L89-L94 HydrophobicContact CG-CD1 3.95Å; L89-L94 HydrophobicContact CG-CG 4.13Å; L89-L94 WeakPolarHBondContact O-CG 3.42Å; L89-L94 PolarHBondContact O-N 2.93Å
90H98.3Very high97.3Very high42 Ų4261.3 Ų61.319%0.19434%0.337CS..Iπ-helixtrans-69.6-36.5-177.8-73.180.8000112.3L86 S87 E88 R95 V96 F101 Y143L86-H90 PolarHBondContact O-N 3.33Å; L86-H90 PolarHBondContact O-ND1 3.25Å; S87-H90 PolarHBondContact O-N 3.03Å; E88-H90 PolarHBondContact O-N 3.4Å; H90-R95 VanDerWaalsContact O-CA 3.32Å; H90-R95 WeakPolarHBondContact O-CA 3.31Å; H90-R95 PolarHBondContact O-N 3.49Å; H90-V96 PolarHBondContact O-N 3.38Å; H90-F101 HydrophobicContact CB-CZ 4.01Å; H90-F101 AromaticContact CD2-CE1 3.76Å; H90-Y143 VanDerWaalsContact C-OH 3.32Å; H90-Y143 WeakPolarHBondContact CB-OH 3.15Å; H90-Y143 PolarHBondContact O-OH 2.99Å
91A97.4Very high97.4Very high12 Ų1259.5 Ų59.510%0.09932%0.324CS..Iπ-helixtrans-75.6-51.7-177.500000112.8S87 E88 K142 Y143S87-A91 WeakPolarHBondContact O-CB 3.41Å; S87-A91 PolarHBondContact O-N 2.9Å; E88-A91 PolarHBondContact O-N 2.89Å; A91-K142 HydrophobicContact CB-CB 4.25Å; A91-Y143 HydrophobicContact CB-CD1 4.29Å; A91-Y143 HydrophobicContact CB-CD2 3.73Å; A91-Y143 HydrophobicContact CB-CE1 4.23Å; A91-Y143 HydrophobicContact CB-CE2 3.73Å; A91-Y143 HydrophobicContact CB-CG 4.07Å
92F96.5Very high97.4Very high123 Ų12362.9 Ų62.954%0.53933%0.329SS..Iπ-helixtrans-96.2-39.5-167.7-59.4-57000113.4E88 R95 K142E88-F92 HydrophobicContact CB-CD2 4.08Å; E88-F92 HydrophobicContact CB-CE2 4.4Å; E88-F92 HydrophobicContact CG-CD2 4.36Å; E88-F92 HydrophobicContact CG-CE2 4.19Å; E88-F92 WeakPolarHBondContact O-CB 3.42Å; E88-F92 WeakPolarHBondContact O-CD2 3.5Å; E88-F92 PolarHBondContact O-N 3.08Å; F92-R95 PolarHBondContact O-NE 3.16Å; F92-K142 HydrophobicContact CE2-CB 3.97Å; F92-K142 HydrophobicContact CZ-CB 4.23Å; F92-K142 WeakPolarHBondContact CZ-O 3.26Å
93T96.3Very high97.5Very high105 Ų10562.9 Ų62.964%0.64433%0.325SS*.Iπ-helixtrans-90-55.6-175.9-54.20000111.4L89L89-T93 HydrophobicContact CD1-CG2 4.2Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 PolarHBondContact O-N 3.44Å
94L96.8Very high97.5Very high86 Ų8664.4 Ų64.445%0.4533%0.333SS..SBendtrans-83.8-23.8-176-54.6179.7000112.6L89 V96L89-L94 HydrophobicContact CD1-CD1 4.43Å; L89-L94 HydrophobicContact CD1-CG 4.19Å; L89-L94 HydrophobicContact CD2-CD1 4.33Å; L89-L94 HydrophobicContact CG-CD1 3.95Å; L89-L94 HydrophobicContact CG-CG 4.13Å; L89-L94 WeakPolarHBondContact O-CG 3.42Å; L89-L94 PolarHBondContact O-N 2.93Å; L94-V96 HydrophobicContact CB-CG2 3.84Å; L94-V96 PolarHBondContact O-N 3.5Å
95R96.7Very high97.6Very high195 Ų19562 Ų6274%0.73632%0.322SS*.  trans49.244.9-180-58.3-177.2176.3-166.9-2.6112.5H90 F92H90-R95 VanDerWaalsContact O-CA 3.32Å; H90-R95 WeakPolarHBondContact O-CA 3.31Å; H90-R95 PolarHBondContact O-N 3.49Å; F92-R95 PolarHBondContact O-NE 3.16Å
96V98Very high97.6Very high19 Ų1961.9 Ų61.912%0.11531%0.31CS..  trans-73130.9179.6176.90000109.1Y44 H90 L94 P98 N100 Y143Y44-V96 HydrophobicContact CD1-CB 4.48Å; Y44-V96 HydrophobicContact CD1-CG2 3.99Å; Y44-V96 HydrophobicContact CE1-CB 4.29Å; Y44-V96 HydrophobicContact CE1-CG1 4.37Å; Y44-V96 HydrophobicContact CE1-CG2 4.29Å; Y44-V96 HydrophobicContact CE2-CG1 4.34Å; Y44-V96 HydrophobicContact CG-CG2 4.38Å; H90-V96 PolarHBondContact O-N 3.38Å; L94-V96 HydrophobicContact CB-CG2 3.84Å; L94-V96 PolarHBondContact O-N 3.5Å; V96-P98 WeakPolarHBondContact O-CD 3.5Å; V96-N100 HydrophobicContact CG1-CB 4.28Å; V96-Y143 WeakPolarHBondContact O-CE1 3.09Å; V96-Y143 PolarHBondContact O-OH 3.05Å
97D97.9Very high97.7Very high86 Ų8660 Ų6046%0.4630%0.301SS..  trans-65.3124.9174.2180-28000109Y44 A99 N100Y44-D97 WeakPolarHBondContact OH-CB 3.22Å; Y44-D97 PolarHBondContact OH-N 3.49Å; D97-A99 PolarHBondContact O-N 3.34Å; D97-A99 WeakPolarHBondContact OD1-CB 3.48Å; D97-A99 PolarHBondContact OD1-N 2.87Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 3.33Å; D97-N100 PolarHBondContact O-ND2 3.19Å
98P97.1Very high97.8Very high43 Ų4360.2 Ų60.228%0.27930%0.302SS..G310 helixtrans-53.3-25.1-179.7-28.135.8000114.6V96 N100 F101 Y143V96-P98 WeakPolarHBondContact O-CD 3.5Å; P98-N100 PolarHBondContact O-N 3.05Å; P98-N100 VanDerWaalsContact O-N 3.11Å; P98-F101 HydrophobicContact CB-CD2 4.16Å; P98-F101 HydrophobicContact CB-CE2 4.18Å; P98-F101 WeakPolarHBondContact O-CD2 3.44Å; P98-F101 PolarHBondContact O-N 3.38Å; P98-F101 VanDerWaalsContact O-N 3.12Å; P98-Y143 VanDerWaalsContact CD-CE1 3.48Å; P98-Y143 HydrophobicContact CG-CD1 3.33Å; P98-Y143 HydrophobicContact CG-CD2 4.02Å; P98-Y143 HydrophobicContact CG-CE1 3.44Å; P98-Y143 VanDerWaalsContact CG-CE1 3.44Å; P98-Y143 HydrophobicContact CG-CE2 4.06Å; P98-Y143 HydrophobicContact CG-CG 3.62Å
99A96.3Very high97.8Very high47 Ų4756.9 Ų56.939%0.38829%0.287SS..G310 helixtrans-60.6-17.3175.500000113.3D97 K102D97-A99 PolarHBondContact O-N 3.34Å; D97-A99 WeakPolarHBondContact OD1-CB 3.48Å; D97-A99 PolarHBondContact OD1-N 2.87Å; A99-K102 VanDerWaalsContact O-CE 3.29Å; A99-K102 WeakPolarHBondContact O-CE 3.39Å; A99-K102 VanDerWaalsContact O-CG 3.25Å; A99-K102 WeakPolarHBondContact O-CG 3.48Å
100N98.1Very high97.8Very high21 Ų2155.6 Ų55.611%0.11228%0.282CS..G310 helixtrans-82-20.1177-64-71.1000113.6Y44 V96 D97 P98 K102 I103 L104Y44-N100 WeakPolarHBondContact CE2-ND2 3.26Å; Y44-N100 PolarHBondContact OH-ND2 2.92Å; Y44-N100 VanDerWaalsContact OH-ND2 3.11Å; V96-N100 HydrophobicContact CG1-CB 4.28Å; D97-N100 WeakPolarHBondContact O-CB 3.47Å; D97-N100 PolarHBondContact O-N 3.33Å; D97-N100 PolarHBondContact O-ND2 3.19Å; P98-N100 PolarHBondContact O-N 3.05Å; P98-N100 VanDerWaalsContact O-N 3.11Å; N100-K102 VanDerWaalsContact C-N 3.33Å; N100-K102 PolarHBondContact O-N 3.19Å; N100-I103 VanDerWaalsContact O-CB 3.31Å; N100-I103 WeakPolarHBondContact O-CB 3.47Å; N100-I103 PolarHBondContact O-N 3.12Å; N100-L104 PolarHBondContact O-N 3.24Å
101F98.3Very high97.9Very high19 Ų1953.6 Ų53.68%0.08327%0.272CS..Hα-helixtrans-60.7-43.2-178.8-66-49.3000112H90 P98 I103 L104 S105 A136 L139 Y143H90-F101 HydrophobicContact CB-CZ 4.01Å; H90-F101 AromaticContact CD2-CE1 3.76Å; P98-F101 HydrophobicContact CB-CD2 4.16Å; P98-F101 HydrophobicContact CB-CE2 4.18Å; P98-F101 WeakPolarHBondContact O-CD2 3.44Å; P98-F101 PolarHBondContact O-N 3.38Å; P98-F101 VanDerWaalsContact O-N 3.12Å; F101-I103 PolarHBondContact O-N 2.89Å; F101-L104 PolarHBondContact O-N 3.35Å; F101-S105 PolarHBondContact O-N 3.41Å; F101-S105 PolarHBondContact O-OG 2.98Å; F101-A136 HydrophobicContact CB-CB 3.62Å; F101-A136 HydrophobicContact CG-CB 4.39Å; F101-L139 HydrophobicContact CD1-CD1 4.03Å; F101-L139 HydrophobicContact CD2-CB 4.35Å; F101-L139 HydrophobicContact CE1-CB 4.23Å; F101-L139 HydrophobicContact CE1-CD1 3.83Å; F101-L139 HydrophobicContact CE2-CB 3.83Å; F101-L139 HydrophobicContact CZ-CB 3.77Å; F101-L139 HydrophobicContact CZ-CD1 4.23Å; F101-Y143 HydrophobicContact CE2-CE2 4.14Å; F101-Y143 HydrophobicContact CZ-CE2 4.38Å
102K97.2Very high97.9Very high147 Ų14753.1 Ų53.164%0.63927%0.268SS*.Hα-helixtrans-61.6-28.6175.664.3179.4-179.2-178.20113.1A99 N100 H106A99-K102 VanDerWaalsContact O-CE 3.29Å; A99-K102 WeakPolarHBondContact O-CE 3.39Å; A99-K102 VanDerWaalsContact O-CG 3.25Å; A99-K102 WeakPolarHBondContact O-CG 3.48Å; N100-K102 VanDerWaalsContact C-N 3.33Å; N100-K102 PolarHBondContact O-N 3.19Å; K102-H106 WeakPolarHBondContact O-CB 3.35Å; K102-H106 PolarHBondContact O-N 3.27Å
103I98.6Very high98Very high18 Ų1849.1 Ų49.19%0.09226%0.258CS..Hα-helixtrans-68.2-49178-58.2-179.8000108.8M34 Y38 T41 N100 F101 H106 N107M34-I103 HydrophobicContact CG-CG2 3.94Å; Y38-I103 HydrophobicContact CD1-CD1 4.2Å; Y38-I103 HydrophobicContact CD1-CG1 4.47Å; Y38-I103 HydrophobicContact CD1-CG2 3.68Å; Y38-I103 HydrophobicContact CD2-CG2 3.4Å; Y38-I103 HydrophobicContact CE1-CG2 4.1Å; Y38-I103 HydrophobicContact CE2-CG2 3.86Å; Y38-I103 HydrophobicContact CG-CG2 3.29Å; T41-I103 HydrophobicContact CG2-CD1 4.18Å; T41-I103 HydrophobicContact CG2-CG2 4.37Å; N100-I103 VanDerWaalsContact O-CB 3.31Å; N100-I103 WeakPolarHBondContact O-CB 3.47Å; N100-I103 PolarHBondContact O-N 3.12Å; F101-I103 PolarHBondContact O-N 2.89Å; I103-H106 PolarHBondContact O-N 3.38Å; I103-N107 PolarHBondContact O-N 3.18Å; I103-N107 VanDerWaalsContact O-N 3.11Å; I103-N107 PolarHBondContact O-ND2 2.94Å
104L98.6Very high98.2Very high35 Ų3548.5 Ų48.518%0.18325%0.25CC..Hα-helixtrans-63.7-43.2176.2-177.457.7000111.4M34 V65 N100 F101 H106 N107 I108M34-L104 HydrophobicContact SD-CB 3.84Å; M34-L104 HydrophobicContact SD-CD1 3.95Å; M34-L104 HydrophobicContact SD-CG 4.38Å; V65-L104 HydrophobicContact CG1-CD2 3.86Å; V65-L104 HydrophobicContact CG2-CD2 4.41Å; N100-L104 PolarHBondContact O-N 3.24Å; F101-L104 PolarHBondContact O-N 3.35Å; L104-H106 VanDerWaalsContact C-N 3.31Å; L104-H106 PolarHBondContact O-N 3.38Å; L104-N107 PolarHBondContact O-N 3.25Å; L104-N107 VanDerWaalsContact O-N 3.16Å; L104-I108 HydrophobicContact CD1-CD1 4.47Å; L104-I108 HydrophobicContact CD1-CG1 4.46Å; L104-I108 HydrophobicContact CG-CD1 4.13Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 3.21Å
105S98.7Very high98.2Very high15 Ų1547.7 Ų47.711%0.10524%0.244CC..Hα-helixtrans-54.6-47.1175.5-57.70000111.9F101 N107 I108 L109F101-S105 PolarHBondContact O-N 3.41Å; F101-S105 PolarHBondContact O-OG 2.98Å; S105-N107 PolarHBondContact O-N 3.32Å; S105-I108 WeakPolarHBondContact O-CB 3.32Å; S105-I108 PolarHBondContact O-N 3.34Å; S105-L109 WeakPolarHBondContact O-CG 3.32Å; S105-L109 PolarHBondContact O-N 3.33Å
106H98.8Very high98.3Very high90 Ų9039.8 Ų39.842%0.41722%0.215SC..Hα-helixtrans-60.5-45.6177.2174.569.8000112.3Y38 K102 I103 L104 I108 L109 V110Y38-H106 PolarHBondContact OH-CD2 3.05Å; K102-H106 WeakPolarHBondContact O-CB 3.35Å; K102-H106 PolarHBondContact O-N 3.27Å; I103-H106 PolarHBondContact O-N 3.38Å; L104-H106 VanDerWaalsContact C-N 3.31Å; L104-H106 PolarHBondContact O-N 3.38Å; H106-I108 VanDerWaalsContact C-N 3.3Å; H106-I108 PolarHBondContact O-N 3.09Å; H106-L109 PolarHBondContact O-N 2.92Å; H106-L109 VanDerWaalsContact O-N 3.16Å; H106-V110 WeakPolarHBondContact O-CG2 3.39Å; H106-V110 PolarHBondContact O-N 3.12Å
107N98.8Very high98.3Very high6 Ų643.3 Ų43.33%0.03224%0.239CC..Hα-helixtrans-65-33.7178.7-74-80.4000112.3A30 R33 Y38 I103 L104 S105 V110 V111A30-N107 HydrophobicContact CB-CB 4.42Å; A30-N107 WeakPolarHBondContact O-CB 3.41Å; R33-N107 HydrophobicContact CB-CB 4.41Å; R33-N107 WeakPolarHBondContact CB-OD1 3.21Å; Y38-N107 WeakPolarHBondContact CE2-ND2 3.37Å; I103-N107 PolarHBondContact O-N 3.18Å; I103-N107 VanDerWaalsContact O-N 3.11Å; I103-N107 PolarHBondContact O-ND2 2.94Å; L104-N107 PolarHBondContact O-N 3.25Å; L104-N107 VanDerWaalsContact O-N 3.16Å; S105-N107 PolarHBondContact O-N 3.32Å; N107-V110 PolarHBondContact O-N 3.47Å; N107-V111 WeakPolarHBondContact O-CG2 3.45Å; N107-V111 PolarHBondContact O-N 2.98Å; N107-V111 VanDerWaalsContact O-N 3.09Å
108I98.9Very high98.3Very high5 Ų545.1 Ų45.13%0.02625%0.253CS..Hα-helixtrans-61.8-50.1170.9-68.7167.7000110A30 M66 V69 L104 S105 H106 V110 V111 L112 L132A30-I108 HydrophobicContact CB-CG1 3.83Å; M66-I108 HydrophobicContact SD-CD1 4.27Å; M66-I108 HydrophobicContact SD-CG1 4.5Å; V69-I108 HydrophobicContact CG2-CD1 4.42Å; L104-I108 HydrophobicContact CD1-CD1 4.47Å; L104-I108 HydrophobicContact CD1-CG1 4.46Å; L104-I108 HydrophobicContact CG-CD1 4.13Å; L104-I108 WeakPolarHBondContact O-CG1 3.4Å; L104-I108 PolarHBondContact O-N 3.21Å; S105-I108 WeakPolarHBondContact O-CB 3.32Å; S105-I108 PolarHBondContact O-N 3.34Å; H106-I108 VanDerWaalsContact C-N 3.3Å; H106-I108 PolarHBondContact O-N 3.09Å; I108-V110 VanDerWaalsContact C-N 3.3Å; I108-V110 PolarHBondContact O-N 2.82Å; I108-V111 PolarHBondContact O-N 3.4Å; I108-V111 VanDerWaalsContact O-N 3.12Å; I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 VanDerWaalsContact O-CG 3.26Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 3.5Å; I108-L132 HydrophobicContact CB-CD1 4.31Å; I108-L132 HydrophobicContact CG2-CD1 4.09Å
109L98.9Very high98.4Very high10 Ų1045.9 Ų45.95%0.05226%0.255CS..Hα-helixtrans-59.1-40.1179.3-63.4169.9000112.3S105 H106 L112 A113 F120 M128 D129 L132S105-L109 WeakPolarHBondContact O-CG 3.32Å; S105-L109 PolarHBondContact O-N 3.33Å; H106-L109 PolarHBondContact O-N 2.92Å; H106-L109 VanDerWaalsContact O-N 3.16Å; L109-L112 PolarHBondContact O-N 2.87Å; L109-A113 PolarHBondContact O-N 3.2Å; L109-F120 HydrophobicContact CB-CZ 4.3Å; L109-F120 HydrophobicContact CD2-CE2 4.27Å; L109-F120 HydrophobicContact CD2-CZ 3.79Å; L109-M128 HydrophobicContact CD2-CB 3.79Å; L109-D129 HydrophobicContact CD1-CB 4.03Å; L109-L132 HydrophobicContact CD2-CD1 3.87Å; L109-L132 HydrophobicContact CG-CD1 3.94Å
110V98.8Very high98.5Very high44 Ų4444.6 Ų44.627%0.26724%0.241SC..Hα-helixtrans-59.6-47174.4169.10000111.2H106 N107 I108 A113 I114H106-V110 WeakPolarHBondContact O-CG2 3.39Å; H106-V110 PolarHBondContact O-N 3.12Å; N107-V110 PolarHBondContact O-N 3.47Å; I108-V110 VanDerWaalsContact C-N 3.3Å; I108-V110 PolarHBondContact O-N 2.82Å; V110-A113 PolarHBondContact O-N 3.39Å; V110-I114 HydrophobicContact CG1-CD1 3.81Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 3.03Å
111V98.8Very high98.6Very high0 Ų046 Ų460%025%0.25CC..Hα-helixtrans-66.9-39.3179.71730000111.5I26 D29 A30 N107 I108 A113 I114 M115I26-V111 HydrophobicContact CB-CG1 4.34Å; I26-V111 HydrophobicContact CG1-CG1 4.47Å; I26-V111 HydrophobicContact CG2-CG1 4.07Å; D29-V111 HydrophobicContact CB-CG1 4.12Å; D29-V111 HydrophobicContact CB-CG2 3.9Å; A30-V111 HydrophobicContact CB-CG2 4.09Å; N107-V111 WeakPolarHBondContact O-CG2 3.45Å; N107-V111 PolarHBondContact O-N 2.98Å; N107-V111 VanDerWaalsContact O-N 3.09Å; I108-V111 PolarHBondContact O-N 3.4Å; I108-V111 VanDerWaalsContact O-N 3.12Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.47Å; V111-I114 PolarHBondContact O-N 3.45Å; V111-M115 HydrophobicContact CG1-CG 4.05Å; V111-M115 HydrophobicContact CG1-SD 3.5Å; V111-M115 WeakPolarHBondContact CG1-SD 3.47Å; V111-M115 WeakPolarHBondContact O-CB 3.31Å; V111-M115 WeakPolarHBondContact O-CG 3.4Å; V111-M115 PolarHBondContact O-N 2.95Å
112L98.8Very high98.6Very high1 Ų149.7 Ų49.71%0.00528%0.276CS..Hα-helixtrans-60.6-42174.9-66.3174.1000111.8F15 I19 I26 I108 L109 I114 F116 F120 M128F15-L112 HydrophobicContact CE1-CB 4.48Å; F15-L112 HydrophobicContact CE1-CD1 4.1Å; F15-L112 HydrophobicContact CE1-CD2 4.12Å; F15-L112 HydrophobicContact CE1-CG 4.45Å; F15-L112 HydrophobicContact CZ-CD2 4.45Å; I19-L112 HydrophobicContact CD1-CD2 3.43Å; I19-L112 VanDerWaalsContact CD1-CD2 3.43Å; I26-L112 HydrophobicContact CD1-CD2 4.03Å; I26-L112 HydrophobicContact CG1-CD2 4.48Å; I26-L112 HydrophobicContact CG2-CD2 4.22Å; I108-L112 HydrophobicContact CG2-CD1 3.78Å; I108-L112 HydrophobicContact CG2-CG 4.15Å; I108-L112 VanDerWaalsContact O-CG 3.26Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 3.5Å; L109-L112 PolarHBondContact O-N 2.87Å; L112-I114 VanDerWaalsContact C-N 3.35Å; L112-I114 PolarHBondContact O-N 3.48Å; L112-F116 HydrophobicContact CD2-CD2 4.25Å; L112-F116 HydrophobicContact CD2-CE2 4.35Å; L112-F116 WeakPolarHBondContact O-CA 3.5Å; L112-F116 WeakPolarHBondContact O-CB 3.41Å; L112-F116 PolarHBondContact O-N 2.93Å; L112-F120 HydrophobicContact CB-CD2 3.86Å; L112-F120 HydrophobicContact CB-CE2 3.82Å; L112-F120 HydrophobicContact CB-CG 4.36Å; L112-F120 HydrophobicContact CB-CZ 4.29Å; L112-F120 HydrophobicContact CD1-CE2 4.08Å; L112-M128 HydrophobicContact CD1-CE 4.07Å
113A98.8Very high98.6Very high40 Ų4048.3 Ų48.333%0.33127%0.272SS..Hα-helixtrans-65-36.3175.600000112.9L109 V110 V111 P117 F120L109-A113 PolarHBondContact O-N 3.2Å; V110-A113 PolarHBondContact O-N 3.39Å; V111-A113 VanDerWaalsContact C-N 3.32Å; V111-A113 PolarHBondContact O-N 3.47Å; A113-P117 WeakPolarHBondContact O-CA 3.22Å; A113-P117 WeakPolarHBondContact O-CB 3.25Å; A113-F120 HydrophobicContact CB-CD1 3.62Å; A113-F120 HydrophobicContact CB-CE1 3.94Å
114I98.6Very high98.6Very high92 Ų9248.3 Ų48.347%0.47227%0.272SS..Hα-helixtrans-72.7-45.2178.7-69.9167.4000111.4R33 V110 V111 L112R33-I114 VanDerWaalsContact NH2-CD1 3.3Å; V110-I114 HydrophobicContact CG1-CD1 3.81Å; V110-I114 VanDerWaalsContact O-CG1 3.31Å; V110-I114 WeakPolarHBondContact O-CG1 3.47Å; V110-I114 PolarHBondContact O-N 3.03Å; V111-I114 PolarHBondContact O-N 3.45Å; L112-I114 VanDerWaalsContact C-N 3.35Å; L112-I114 PolarHBondContact O-N 3.48Å
115M98.5Very high98.7Very high68 Ų6850.6 Ų50.634%0.33528%0.282SS..Hα-helixtrans-81.6-29.3-173.7-67.9-177.567.700113A25 I26 V111 P117A25-M115 HydrophobicContact CB-CE 4.09Å; I26-M115 HydrophobicContact CB-SD 4.5Å; I26-M115 HydrophobicContact CG1-CE 4.07Å; I26-M115 HydrophobicContact CG1-SD 3.67Å; V111-M115 HydrophobicContact CG1-CG 4.05Å; V111-M115 HydrophobicContact CG1-SD 3.5Å; V111-M115 WeakPolarHBondContact CG1-SD 3.47Å; V111-M115 WeakPolarHBondContact O-CB 3.31Å; V111-M115 WeakPolarHBondContact O-CG 3.4Å; V111-M115 PolarHBondContact O-N 2.95Å; M115-P117 VanDerWaalsContact C-CD 3.43Å
116F98.5Very high98.6Very high29 Ų2953.9 Ų53.913%0.12730%0.301CS..  trans-13152.3-174.6-51.7-80.4000111.9F15 I19 I26 L112 T118 D119 F120F15-F116 HydrophobicContact CE2-CB 4.33Å; F15-F116 HydrophobicContact CZ-CB 4.26Å; I19-F116 HydrophobicContact CB-CD2 4.36Å; I19-F116 HydrophobicContact CB-CE1 4.36Å; I19-F116 HydrophobicContact CB-CE2 3.85Å; I19-F116 HydrophobicContact CB-CZ 3.85Å; I19-F116 HydrophobicContact CG2-CD1 3.87Å; I19-F116 HydrophobicContact CG2-CD2 3.59Å; I19-F116 HydrophobicContact CG2-CE1 3.84Å; I19-F116 HydrophobicContact CG2-CE2 3.56Å; I19-F116 HydrophobicContact CG2-CG 3.75Å; I19-F116 HydrophobicContact CG2-CZ 3.69Å; I26-F116 HydrophobicContact CD1-CE2 3.84Å; I26-F116 HydrophobicContact CD1-CZ 4.32Å; I26-F116 HydrophobicContact CG1-CE2 4.19Å; L112-F116 HydrophobicContact CD2-CD2 4.25Å; L112-F116 HydrophobicContact CD2-CE2 4.35Å; L112-F116 WeakPolarHBondContact O-CA 3.5Å; L112-F116 WeakPolarHBondContact O-CB 3.41Å; L112-F116 PolarHBondContact O-N 2.93Å; F116-T118 PolarHBondContact O-N 2.93Å; F116-T118 VanDerWaalsContact O-N 3.16Å; F116-D119 HydrophobicContact CB-CB 4.28Å; F116-D119 PolarHBondContact O-N 3.01Å; F116-D119 VanDerWaalsContact O-N 3.08Å; F116-F120 VanDerWaalsContact O-CB 3.22Å; F116-F120 WeakPolarHBondContact O-CB 3.38Å; F116-F120 PolarHBondContact O-N 3.06Å
117P98.1Very high98.6Very high93 Ų9349.6 Ų49.660%0.60428%0.281SS*.THydrogen-bonded Turntrans-61-31.9-17025-35.4000113.5A113 M115A113-P117 WeakPolarHBondContact O-CA 3.22Å; A113-P117 WeakPolarHBondContact O-CB 3.25Å; M115-P117 VanDerWaalsContact C-CD 3.43Å
118T98.3Very high98.6Very high125 Ų12549.4 Ų49.477%0.76728%0.28SS*.THydrogen-bonded Turntrans-76.2-35.6178-49.30000112.3F116F116-T118 PolarHBondContact O-N 2.93Å; F116-T118 VanDerWaalsContact O-N 3.16Å
119D98.4Very high98.6Very high58 Ų5852.8 Ų52.831%0.3130%0.298SS..THydrogen-bonded Turntrans-88.8-24.6-177.9-66.7-75000112.9F15 K18 F116 T121 V124F15-D119 HydrophobicContact CD2-CB 4.26Å; F15-D119 HydrophobicContact CE2-CB 3.77Å; K18-D119 HydrophobicContact CD-CB 4.46Å; K18-D119 IonicContact NZ-OD1 3.48Å; K18-D119 PolarHBondContact NZ-OD1 3.19Å; F116-D119 HydrophobicContact CB-CB 4.28Å; F116-D119 PolarHBondContact O-N 3.01Å; F116-D119 VanDerWaalsContact O-N 3.08Å; D119-T121 PolarHBondContact O-N 3.08Å; D119-V124 WeakPolarHBondContact O-CG2 3.44Å
120F98.7Very high98.6Very high21 Ų2155 Ų559%0.09231%0.307CS..  trans-84.761.4180-162.7-108.2000111.2F15 L109 L112 A113 F116 V124 H125 M128F15-F120 AromaticContact CE1-CD2 3.82Å; F15-F120 HydrophobicContact CE1-CD2 3.82Å; F15-F120 HydrophobicContact CE1-CE2 4.28Å; F15-F120 HydrophobicContact CE2-CD2 4.39Å; F15-F120 HydrophobicContact CZ-CB 4.28Å; F15-F120 AromaticContact CZ-CD2 3.64Å; F15-F120 HydrophobicContact CZ-CD2 3.64Å; F15-F120 HydrophobicContact CZ-CG 4.44Å; L109-F120 HydrophobicContact CB-CZ 4.3Å; L109-F120 HydrophobicContact CD2-CE2 4.27Å; L109-F120 HydrophobicContact CD2-CZ 3.79Å; L112-F120 HydrophobicContact CB-CD2 3.86Å; L112-F120 HydrophobicContact CB-CE2 3.82Å; L112-F120 HydrophobicContact CB-CG 4.36Å; L112-F120 HydrophobicContact CB-CZ 4.29Å; L112-F120 HydrophobicContact CD1-CE2 4.08Å; A113-F120 HydrophobicContact CB-CD1 3.62Å; A113-F120 HydrophobicContact CB-CE1 3.94Å; F116-F120 VanDerWaalsContact O-CB 3.22Å; F116-F120 WeakPolarHBondContact O-CB 3.38Å; F116-F120 PolarHBondContact O-N 3.06Å; F120-V124 HydrophobicContact CD2-CG1 3.77Å; F120-V124 HydrophobicContact CE2-CG1 4.18Å; F120-H125 HydrophobicContact CD1-CB 4.38Å; F120-H125 HydrophobicContact CE1-CB 3.75Å; F120-H125 AromaticContact CE1-CG 3.72Å; F120-H125 HydrophobicContact CE2-CB 4.43Å; F120-H125 HydrophobicContact CZ-CB 3.78Å; F120-H125 AromaticContact CZ-CD2 3.77Å; F120-H125 AromaticContact CZ-CG 3.82Å; F120-M128 HydrophobicContact CE2-CB 4.32Å; F120-M128 HydrophobicContact CE2-CG 4.32Å
121T98.8Very high98.6Very high50 Ų5052.9 Ų52.931%0.30730%0.295SS..  trans-66.3166178.681.10000111.6D119 E123 V124 H125D119-T121 PolarHBondContact O-N 3.08Å; T121-E123 WeakPolarHBondContact CB-OE2 3.48Å; T121-E123 PolarHBondContact O-N 3.06Å; T121-E123 PolarHBondContact OG1-N 2.72Å; T121-E123 PolarHBondContact OG1-OE2 2.94Å; T121-V124 PolarHBondContact O-N 3.21Å; T121-V124 VanDerWaalsContact O-N 3.1Å; T121-V124 PolarHBondContact OG1-N 2.82Å; T121-H125 WeakPolarHBondContact O-CB 3.3Å; T121-H125 PolarHBondContact O-N 2.95Å
122P98.7Very high98.6Very high96 Ų9653 Ų5362%0.62330%0.296SS*.Hα-helixtrans-53.7-37.2174.4-27.937.1000113.8H125 V126P122-H125 PolarHBondContact O-N 3.04Å; P122-V126 WeakPolarHBondContact O-CG2 3.31Å; P122-V126 PolarHBondContact O-N 3.2Å
123E98.3Very high98.6Very high119 Ų11954.8 Ų54.856%0.55631%0.31SS*.Hα-helixtrans-67.8-42.3177.3-6074.3-162.900112T121 H125 A127T121-E123 WeakPolarHBondContact CB-OE2 3.48Å; T121-E123 PolarHBondContact O-N 3.06Å; T121-E123 PolarHBondContact OG1-N 2.72Å; T121-E123 PolarHBondContact OG1-OE2 2.94Å; E123-H125 VanDerWaalsContact C-N 3.34Å; E123-A127 PolarHBondContact O-N 2.97Å; E123-A127 VanDerWaalsContact O-N 3.11Å
124V98.8Very high98.6Very high17 Ų1753.6 Ų53.610%0.10330%0.3CS..Hα-helixtrans-64.3-43.2174.7171.70000110.2T11 F15 D119 F120 T121 V126 A127 M128T11-V124 HydrophobicContact CG2-CB 4.43Å; T11-V124 HydrophobicContact CG2-CG2 3.95Å; F15-V124 HydrophobicContact CB-CG1 3.94Å; F15-V124 HydrophobicContact CD1-CG1 3.63Å; F15-V124 HydrophobicContact CD2-CG1 3.64Å; F15-V124 HydrophobicContact CE1-CG1 3.98Å; F15-V124 HydrophobicContact CE2-CG1 4Å; F15-V124 HydrophobicContact CG-CG1 3.44Å; F15-V124 VanDerWaalsContact CG-CG1 3.44Å; F15-V124 HydrophobicContact CZ-CG1 4.17Å; D119-V124 WeakPolarHBondContact O-CG2 3.44Å; F120-V124 HydrophobicContact CD2-CG1 3.77Å; F120-V124 HydrophobicContact CE2-CG1 4.18Å; T121-V124 PolarHBondContact O-N 3.21Å; T121-V124 VanDerWaalsContact O-N 3.1Å; T121-V124 PolarHBondContact OG1-N 2.82Å; V124-V126 PolarHBondContact O-N 3.19Å; V124-A127 PolarHBondContact O-N 3.44Å; V124-M128 HydrophobicContact CG1-CG 4.11Å; V124-M128 WeakPolarHBondContact O-CB 3.47Å; V124-M128 WeakPolarHBondContact O-CG 3.29Å; V124-M128 PolarHBondContact O-N 3.07Å
125H98.8Very high98.6Very high84 Ų8450 Ų5039%0.38928%0.282SS..Hα-helixtrans-58-51177.4-177.5-174.6000111.1F120 T121 P122 E123 A127 M128 D129F120-H125 HydrophobicContact CD1-CB 4.38Å; F120-H125 HydrophobicContact CE1-CB 3.75Å; F120-H125 AromaticContact CE1-CG 3.72Å; F120-H125 HydrophobicContact CE2-CB 4.43Å; F120-H125 HydrophobicContact CZ-CB 3.78Å; F120-H125 AromaticContact CZ-CD2 3.77Å; F120-H125 AromaticContact CZ-CG 3.82Å; T121-H125 WeakPolarHBondContact O-CB 3.3Å; T121-H125 PolarHBondContact O-N 2.95Å; P122-H125 PolarHBondContact O-N 3.04Å; E123-H125 VanDerWaalsContact C-N 3.34Å; H125-A127 VanDerWaalsContact C-N 3.31Å; H125-A127 PolarHBondContact O-N 3.28Å; H125-M128 PolarHBondContact O-N 3.34Å; H125-D129 WeakPolarHBondContact O-CB 3.27Å; H125-D129 PolarHBondContact O-N 3.4Å
126V98.5Very high98.5Very high83 Ų8347.5 Ų47.550%0.50327%0.273SS..Hα-helixtrans-59.1-42.8178.3170.40000111.7P122 V124 K130P122-V126 WeakPolarHBondContact O-CG2 3.31Å; P122-V126 PolarHBondContact O-N 3.2Å; V124-V126 PolarHBondContact O-N 3.19Å; V126-K130 HydrophobicContact CG1-CD 3.89Å; V126-K130 WeakPolarHBondContact O-CB 3.47Å; V126-K130 WeakPolarHBondContact O-CD 3.36Å; V126-K130 VanDerWaalsContact O-CG 3.26Å; V126-K130 WeakPolarHBondContact O-CG 3.31Å; V126-K130 PolarHBondContact O-N 3.48Å; V126-K130 VanDerWaalsContact O-N 3.07Å
127A98.7Very high98.5Very high1 Ų151.5 Ų51.51%0.00829%0.287CS..Hα-helixtrans-66.1-43.8179.300000112.1D8 T11 V12 E123 V124 H125 F131D8-A127 HydrophobicContact CB-CB 4.41Å; T11-A127 HydrophobicContact CG2-CB 3.62Å; V12-A127 HydrophobicContact CG2-CB 4.16Å; E123-A127 PolarHBondContact O-N 2.97Å; E123-A127 VanDerWaalsContact O-N 3.11Å; V124-A127 PolarHBondContact O-N 3.44Å; H125-A127 VanDerWaalsContact C-N 3.31Å; H125-A127 PolarHBondContact O-N 3.28Å; A127-F131 WeakPolarHBondContact O-CB 2.85Å; A127-F131 PolarHBondContact O-N 2.79Å
128M98.8Very high98.5Very high2 Ų247.2 Ų47.21%0.0126%0.259CS..Hα-helixtrans-68-40.4178.4-74.4-59-60.300112.5V12 F15 L109 L112 F120 V124 H125 F131 L132V12-M128 HydrophobicContact CB-SD 4.27Å; V12-M128 HydrophobicContact CG1-SD 3.99Å; V12-M128 HydrophobicContact CG2-SD 3.93Å; F15-M128 HydrophobicContact CD1-CG 3.95Å; F15-M128 HydrophobicContact CD1-SD 4.05Å; F15-M128 HydrophobicContact CE1-CG 4.38Å; L109-M128 HydrophobicContact CD2-CB 3.79Å; L112-M128 HydrophobicContact CD1-CE 4.07Å; F120-M128 HydrophobicContact CE2-CB 4.32Å; F120-M128 HydrophobicContact CE2-CG 4.32Å; V124-M128 HydrophobicContact CG1-CG 4.11Å; V124-M128 WeakPolarHBondContact O-CB 3.47Å; V124-M128 WeakPolarHBondContact O-CG 3.29Å; V124-M128 PolarHBondContact O-N 3.07Å; H125-M128 PolarHBondContact O-N 3.34Å; M128-F131 HydrophobicContact CE-CD1 4.12Å; M128-F131 PolarHBondContact O-N 3.2Å; M128-F131 HydrophobicContact SD-CD1 4.47Å; M128-L132 WeakPolarHBondContact O-CB 3.34Å; M128-L132 WeakPolarHBondContact O-CG 3.37Å; M128-L132 PolarHBondContact O-N 2.97Å
129D98.8Very high98.4Very high76 Ų7642.2 Ų42.241%0.40623%0.228SC..Hα-helixtrans-62.2-48.8175.7179.660.5000111L109 H125 F131 L132 A133L109-D129 HydrophobicContact CD1-CB 4.03Å; H125-D129 WeakPolarHBondContact O-CB 3.27Å; H125-D129 PolarHBondContact O-N 3.4Å; D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 3.34Å; D129-L132 PolarHBondContact O-N 3.04Å; D129-A133 VanDerWaalsContact O-CB 3.32Å; D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 3.48Å
130K98.6Very high98.4Very high55 Ų5541.2 Ų41.224%0.23923%0.225CC..Hα-helixtrans-59.2-39174.7-72.7169.665.1-174.10112.2L4 D8 V126 A134L4-K130 HydrophobicContact CD2-CB 3.79Å; D8-K130 IonicContact OD1-NZ 2.71Å; D8-K130 PolarHBondContact OD1-NZ 3.5Å; D8-K130 WeakPolarHBondContact OD2-CE 3.45Å; D8-K130 IonicContact OD2-NZ 3.91Å; D8-K130 PolarHBondContact OD2-NZ 2.88Å; V126-K130 HydrophobicContact CG1-CD 3.89Å; V126-K130 WeakPolarHBondContact O-CB 3.47Å; V126-K130 WeakPolarHBondContact O-CD 3.36Å; V126-K130 VanDerWaalsContact O-CG 3.26Å; V126-K130 WeakPolarHBondContact O-CG 3.31Å; V126-K130 PolarHBondContact O-N 3.48Å; V126-K130 VanDerWaalsContact O-N 3.07Å; K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 2.81Å
131F98.8Very high98.2Very high0 Ų044.8 Ų44.80%024%0.242CC..Hα-helixtrans-65.7-51177.3165.5-107.6000111.7L4 V12 V69 A72 V73 I76 L79 A127 M128 D129 A133 A134 V135L4-F131 HydrophobicContact CD1-CB 4.34Å; L4-F131 HydrophobicContact CD1-CD2 4.01Å; L4-F131 HydrophobicContact CD2-CB 4.25Å; V12-F131 HydrophobicContact CG1-CB 4.46Å; V12-F131 HydrophobicContact CG1-CD1 4.05Å; V12-F131 HydrophobicContact CG1-CD2 4.22Å; V12-F131 HydrophobicContact CG1-CE1 4.34Å; V12-F131 HydrophobicContact CG1-CG 3.98Å; V12-F131 HydrophobicContact CG2-CB 3.72Å; V12-F131 HydrophobicContact CG2-CG 4.15Å; V69-F131 HydrophobicContact CG1-CE1 4.1Å; A72-F131 HydrophobicContact CB-CE2 4.11Å; A72-F131 HydrophobicContact CB-CZ 3.7Å; V73-F131 HydrophobicContact CB-CZ 4.42Å; V73-F131 HydrophobicContact CG2-CE1 3.87Å; V73-F131 HydrophobicContact CG2-CE2 4.29Å; V73-F131 HydrophobicContact CG2-CZ 3.53Å; I76-F131 HydrophobicContact CD1-CD2 3.67Å; I76-F131 HydrophobicContact CD1-CE2 3.95Å; I76-F131 HydrophobicContact CG1-CD2 3.87Å; I76-F131 HydrophobicContact CG1-CE2 3.96Å; L79-F131 HydrophobicContact CD2-CE2 4.3Å; A127-F131 WeakPolarHBondContact O-CB 2.85Å; A127-F131 PolarHBondContact O-N 2.79Å; M128-F131 HydrophobicContact CE-CD1 4.12Å; M128-F131 PolarHBondContact O-N 3.2Å; M128-F131 HydrophobicContact SD-CD1 4.47Å; D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 3.34Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 2.9Å; F131-A134 CarbonylContact O-C 3.43Å; F131-A134 WeakPolarHBondContact O-CA 3.33Å; F131-A134 WeakPolarHBondContact O-CB 3.01Å; F131-A134 PolarHBondContact O-N 3.35Å; F131-V135 HydrophobicContact CD2-CG2 4.18Å; F131-V135 HydrophobicContact CE1-CG2 4.17Å; F131-V135 HydrophobicContact CE2-CG2 3.74Å; F131-V135 HydrophobicContact CZ-CG2 3.73Å; F131-V135 WeakPolarHBondContact O-CG2 3.33Å; F131-V135 PolarHBondContact O-N 2.66Å
132L98.7Very high98.1Very high4 Ų446 Ų462%0.02124%0.243CC..Hα-helixtrans-64.1-34.5178.8-68.7174000112I108 L109 M128 D129 A134 V135 A136I108-L132 HydrophobicContact CB-CD1 4.31Å; I108-L132 HydrophobicContact CG2-CD1 4.09Å; L109-L132 HydrophobicContact CD2-CD1 3.87Å; L109-L132 HydrophobicContact CG-CD1 3.94Å; M128-L132 WeakPolarHBondContact O-CB 3.34Å; M128-L132 WeakPolarHBondContact O-CG 3.37Å; M128-L132 PolarHBondContact O-N 2.97Å; D129-L132 PolarHBondContact O-N 3.04Å; L132-A134 VanDerWaalsContact C-N 3.34Å; L132-V135 PolarHBondContact O-N 3.18Å; L132-A136 WeakPolarHBondContact O-CB 3.26Å; L132-A136 PolarHBondContact O-N 3.01Å
133A98.4Very high98Very high38 Ų3844.5 Ų44.531%0.31423%0.226SC..Hα-helixtrans-64.7-37171.200000112.5D129 F131 R137D129-A133 VanDerWaalsContact O-CB 3.32Å; D129-A133 WeakPolarHBondContact O-CB 3.38Å; D129-A133 PolarHBondContact O-N 3.48Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 2.9Å; A133-R137 PolarHBondContact O-N 2.93Å
134A98.3Very high97.5Very high14 Ų1453 Ų5312%0.11625%0.253CS..Hα-helixtrans-69.8-37.9174.100000112.1L4 L79 K130 F131 L132 R137 A138L4-A134 HydrophobicContact CD1-CB 4.43Å; L4-A134 HydrophobicContact CG-CB 4.48Å; L79-A134 HydrophobicContact CD1-CB 3.65Å; K130-A134 WeakPolarHBondContact O-CB 3.42Å; K130-A134 PolarHBondContact O-N 2.81Å; F131-A134 CarbonylContact O-C 3.43Å; F131-A134 WeakPolarHBondContact O-CA 3.33Å; F131-A134 WeakPolarHBondContact O-CB 3.01Å; F131-A134 PolarHBondContact O-N 3.35Å; L132-A134 VanDerWaalsContact C-N 3.34Å; A134-R137 PolarHBondContact O-N 3.46Å; A134-A138 PolarHBondContact O-N 3.47Å
135V98.4Very high97.5Very high16 Ų1654.8 Ų54.810%0.09726%0.26CS..Hα-helixtrans-61.7-49.5172.21720000110.7A72 L79 L83 F131 L132 R137 A138 L139A72-V135 HydrophobicContact CB-CG1 4.49Å; A72-V135 HydrophobicContact CB-CG2 3.64Å; L79-V135 HydrophobicContact CD1-CG2 4.23Å; L79-V135 HydrophobicContact CD2-CG2 4.29Å; L83-V135 HydrophobicContact CD1-CB 4.48Å; L83-V135 HydrophobicContact CD1-CG1 3.97Å; L83-V135 HydrophobicContact CD1-CG2 4.41Å; F131-V135 HydrophobicContact CD2-CG2 4.18Å; F131-V135 HydrophobicContact CE1-CG2 4.17Å; F131-V135 HydrophobicContact CE2-CG2 3.74Å; F131-V135 HydrophobicContact CZ-CG2 3.73Å; F131-V135 WeakPolarHBondContact O-CG2 3.33Å; F131-V135 PolarHBondContact O-N 2.66Å; L132-V135 PolarHBondContact O-N 3.18Å; V135-R137 VanDerWaalsContact C-N 3.26Å; V135-R137 PolarHBondContact O-N 3.49Å; V135-A138 PolarHBondContact O-N 3.22Å; V135-A138 VanDerWaalsContact O-N 3.1Å; V135-L139 HydrophobicContact CG1-CD1 4.14Å; V135-L139 HydrophobicContact CG1-CG 4.38Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 2.94Å
136A98.2Very high97.4Very high16 Ų1653.3 Ų53.313%0.13225%0.253CS..Hα-helixtrans-57.2-40.5176.500000111.9F101 L132 L139 S140F101-A136 HydrophobicContact CB-CB 3.62Å; F101-A136 HydrophobicContact CG-CB 4.39Å; L132-A136 WeakPolarHBondContact O-CB 3.26Å; L132-A136 PolarHBondContact O-N 3.01Å; A136-L139 PolarHBondContact O-N 3.46Å; A136-S140 WeakPolarHBondContact O-CB 3.32Å; A136-S140 PolarHBondContact O-N 3.06Å; A136-S140 PolarHBondContact O-OG 3.08Å
137R97.1Very high97.3Very high114 Ų11451.6 Ų51.643%0.4324%0.239SC..Hα-helixtrans-62.6-47.4174.2-173.3-175.1-60.3130.36.6111.8M2 A133 A134 V135 L139 S140 E141M2-R137 PolarHBondContact O-NH1 3.4Å; A133-R137 PolarHBondContact O-N 2.93Å; A134-R137 PolarHBondContact O-N 3.46Å; V135-R137 VanDerWaalsContact C-N 3.26Å; V135-R137 PolarHBondContact O-N 3.49Å; R137-L139 VanDerWaalsContact C-N 3.35Å; R137-L139 PolarHBondContact O-N 3.47Å; R137-S140 WeakPolarHBondContact O-CA 3.39Å; R137-S140 WeakPolarHBondContact O-CB 3.48Å; R137-S140 PolarHBondContact O-N 3.44Å; R137-E141 PolarHBondContact O-N 2.81Å
138A97.7Very high97.3Very high2 Ų254.6 Ų54.62%0.01725%0.253CS..Hα-helixtrans-62.2-41.2178.700000112.1L79 L83 S87 A134 V135 S140 E141L79-A138 HydrophobicContact CB-CB 3.91Å; L79-A138 WeakPolarHBondContact O-CB 3.3Å; L83-A138 HydrophobicContact CB-CB 4.41Å; L83-A138 HydrophobicContact CD1-CB 4.05Å; S87-A138 PolarHBondContact OG-O 3.44Å; A134-A138 PolarHBondContact O-N 3.47Å; V135-A138 PolarHBondContact O-N 3.22Å; V135-A138 VanDerWaalsContact O-N 3.1Å; A138-S140 PolarHBondContact O-N 2.86Å; A138-E141 VanDerWaalsContact O-CB 3.3Å; A138-E141 WeakPolarHBondContact O-CB 3.18Å; A138-E141 PolarHBondContact O-N 3.12Å
139L98Very high97.2Very high20 Ų2057.9 Ų57.911%0.10527%0.268CS..Hα-helixtrans-63.5-26.5173-67.4178.3000112.4L83 L86 S87 F101 V135 A136 R137 E141 Y143L83-L139 HydrophobicContact CB-CD2 4.37Å; L86-L139 HydrophobicContact CB-CD2 3.54Å; S87-L139 WeakPolarHBondContact CA-O 3.44Å; S87-L139 WeakPolarHBondContact CB-O 3.45Å; S87-L139 PolarHBondContact OG-O 3.04Å; F101-L139 HydrophobicContact CD1-CD1 4.03Å; F101-L139 HydrophobicContact CD2-CB 4.35Å; F101-L139 HydrophobicContact CE1-CB 4.23Å; F101-L139 HydrophobicContact CE1-CD1 3.83Å; F101-L139 HydrophobicContact CE2-CB 3.83Å; F101-L139 HydrophobicContact CZ-CB 3.77Å; F101-L139 HydrophobicContact CZ-CD1 4.23Å; V135-L139 HydrophobicContact CG1-CD1 4.14Å; V135-L139 HydrophobicContact CG1-CG 4.38Å; V135-L139 WeakPolarHBondContact O-CG 3.38Å; V135-L139 PolarHBondContact O-N 2.94Å; A136-L139 PolarHBondContact O-N 3.46Å; R137-L139 VanDerWaalsContact C-N 3.35Å; R137-L139 PolarHBondContact O-N 3.47Å; L139-E141 VanDerWaalsContact C-N 3.33Å; L139-Y143 VanDerWaalsContact O-CE2 3.27Å; L139-Y143 WeakPolarHBondContact O-CE2 3.29Å
140S97.5Very high97.1Very high37 Ų3756.7 Ų56.726%0.25926%0.259SS..THydrogen-bonded Turntrans-84.1-2.6179.3-54.40000114.1A136 R137 A138 K142 Y143A136-S140 WeakPolarHBondContact O-CB 3.32Å; A136-S140 PolarHBondContact O-N 3.06Å; A136-S140 PolarHBondContact O-OG 3.08Å; R137-S140 WeakPolarHBondContact O-CA 3.39Å; R137-S140 WeakPolarHBondContact O-CB 3.48Å; R137-S140 PolarHBondContact O-N 3.44Å; A138-S140 PolarHBondContact O-N 2.86Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.25Å; S140-Y143 PolarHBondContact O-N 3.43Å
141E95.4Very high96.9Very high97 Ų9756.8 Ų56.845%0.45326%0.26SS..THydrogen-bonded Turntrans-62-36.6-171.3-16868.3-159.400113T80 S87 R137 A138 L139T80-E141 HydrophobicContact CG2-CB 4.49Å; T80-E141 HydrophobicContact CG2-CG 3.82Å; S87-E141 PolarHBondContact OG-N 3.38Å; R137-E141 PolarHBondContact O-N 2.81Å; A138-E141 VanDerWaalsContact O-CB 3.3Å; A138-E141 WeakPolarHBondContact O-CB 3.18Å; A138-E141 PolarHBondContact O-N 3.12Å; L139-E141 VanDerWaalsContact C-N 3.33Å
142K95.3Very high96.8Very high75 Ų7561.2 Ų61.233%0.32628%0.28SS..THydrogen-bonded Turntrans-95.513.8-174.9-64.9-65.3-173.5179.30115.6L84 S87 E88 A91 F92 S140 R144L84-K142 HydrophobicContact CD1-CD 4.29Å; L84-K142 HydrophobicContact CD1-CG 4.17Å; S87-K142 WeakPolarHBondContact OG-CB 3.38Å; S87-K142 PolarHBondContact OG-N 2.65Å; E88-K142 HydrophobicContact CG-CB 4.34Å; E88-K142 HydrophobicContact CG-CG 3.86Å; A91-K142 HydrophobicContact CB-CB 4.25Å; F92-K142 HydrophobicContact CE2-CB 3.97Å; F92-K142 HydrophobicContact CZ-CB 4.23Å; F92-K142 WeakPolarHBondContact CZ-O 3.26Å; S140-K142 VanDerWaalsContact C-N 3.32Å; S140-K142 PolarHBondContact O-N 3.25Å; K142-R144 VanDerWaalsContact C-N 3.29Å; K142-R144 PolarHBondContact O-N 3.19Å
143Y96.3Very high96.6Very high65 Ų6565.9 Ų65.926%0.25530%0.302SS..  trans-77.6-12.2-178-84.5-98.2000114.6H90 A91 V96 P98 F101 L139 S140H90-Y143 VanDerWaalsContact C-OH 3.32Å; H90-Y143 WeakPolarHBondContact CB-OH 3.15Å; H90-Y143 PolarHBondContact O-OH 2.99Å; A91-Y143 HydrophobicContact CB-CD1 4.29Å; A91-Y143 HydrophobicContact CB-CD2 3.73Å; A91-Y143 HydrophobicContact CB-CE1 4.23Å; A91-Y143 HydrophobicContact CB-CE2 3.73Å; A91-Y143 HydrophobicContact CB-CG 4.07Å; V96-Y143 WeakPolarHBondContact O-CE1 3.09Å; V96-Y143 PolarHBondContact O-OH 3.05Å; P98-Y143 VanDerWaalsContact CD-CE1 3.48Å; P98-Y143 HydrophobicContact CG-CD1 3.33Å; P98-Y143 HydrophobicContact CG-CD2 4.02Å; P98-Y143 HydrophobicContact CG-CE1 3.44Å; P98-Y143 VanDerWaalsContact CG-CE1 3.44Å; P98-Y143 HydrophobicContact CG-CE2 4.06Å; P98-Y143 HydrophobicContact CG-CG 3.62Å; F101-Y143 HydrophobicContact CE2-CE2 4.14Å; F101-Y143 HydrophobicContact CZ-CE2 4.38Å; L139-Y143 VanDerWaalsContact O-CE2 3.27Å; L139-Y143 WeakPolarHBondContact O-CE2 3.29Å; S140-Y143 PolarHBondContact O-N 3.43Å
144R89.2Confident96.5Very high297 Ų29768.5 Ų68.5100%1.12130%0.301SS*.  trans-155.40179.163.5-178.8-179.1177.71.2111.5K142K142-R144 VanDerWaalsContact C-N 3.29Å; K142-R144 PolarHBondContact O-N 3.19Å

Retrieved 144 of 144 residues in 59.2 ms (Link to these results)

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