A0A087XVL2_POEFO Loading...

Globin domain-containing protein

Involved in oxygen transport from gills to the various peripheral tissues.

AlphaFold DB , UniProt , Accession A0A087XVL2, 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
1K49.5Very low89.5Confident235 Ų23590.6 Ų90.6100%1.02247%0.471SS*.  0105.50-167177.2-175.4179.60107.1S3K1-S3 PolarHBondContact O-N 3.06Å
2M61.2Low90.3Very high141 Ų14183.5 Ų83.570%0.69543%0.434SS*.  trans-73.9114.2173-75-162.2-172.700108K130 R137M2-K130 HydrophobicContact SD-CG 4.37Å; M2-R137 PolarHBondContact O-NH1 3.28Å
3S87.9Confident91Very high86 Ų8684.4 Ų84.460%0.60143%0.432SS*.  trans-110.1151.7172.853.40000109.6K1 T5K1-S3 PolarHBondContact O-N 3.06Å; S3-T5 PolarHBondContact O-N 3.47Å
4L97.1Very high91.5Very high24 Ų2482.9 Ų82.913%0.12644%0.439CS..  trans-74124174.4-61.3173.4000109.6D8 K9 I76 L79 K130 F131 A134L4-D8 HydrophobicContact CB-CB 4.27Å; L4-D8 HydrophobicContact CD2-CB 3.95Å; L4-K9 HydrophobicContact CB-CG 3.93Å; L4-I76 HydrophobicContact CD1-CD1 3.98Å; L4-I76 HydrophobicContact CD1-CG1 3.57Å; L4-L79 HydrophobicContact CD1-CD1 4.45Å; L4-K130 HydrophobicContact CD2-CB 3.79Å; L4-F131 HydrophobicContact CD1-CB 4.29Å; L4-F131 HydrophobicContact CD1-CD2 4.09Å; L4-F131 HydrophobicContact CD2-CB 4.17Å; L4-A134 HydrophobicContact CD1-CB 4.48Å
5T97.9Very high92Very high72 Ų7277.9 Ų77.944%0.44241%0.412SS..  trans-73.2165.9168.367.80000110.1S3 K7 D8 K9S3-T5 PolarHBondContact O-N 3.47Å; T5-K7 PolarHBondContact O-N 3.13Å; T5-D8 VanDerWaalsContact CB-OD2 3.3Å; T5-D8 WeakPolarHBondContact CB-OD2 3.3Å; T5-D8 WeakPolarHBondContact CG2-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 2.64Å; T5-D8 PolarHBondContact O-N 3.09Å; T5-D8 VanDerWaalsContact O-N 3.16Å; T5-D8 PolarHBondContact OG1-N 3.34Å; T5-D8 VanDerWaalsContact OG1-N 3.13Å; T5-D8 PolarHBondContact OG1-OD2 2.75Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.16Å; T5-K9 VanDerWaalsContact O-N 3.09Å
6A98.1Very high92.4Very high69 Ų6975.4 Ų75.457%0.5740%0.395SS*.Hα-helixtrans-54.7-43.9173.100000111.6D8 K9 E10A6-D8 PolarHBondContact O-N 2.98Å; A6-K9 WeakPolarHBondContact O-CB 3.34Å; A6-K9 PolarHBondContact O-N 2.95Å; A6-E10 WeakPolarHBondContact O-CG 3.47Å; A6-E10 PolarHBondContact O-N 2.88Å
7K98.3Very high92.8Very high148 Ų14874.9 Ų74.964%0.64340%0.404SS*.Hα-helixtrans-61.7-41.1177.1-173.8176.2-179.6-179.60112.7T5 K9 T11T5-K7 PolarHBondContact O-N 3.13Å; K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 3.18Å; K7-T11 VanDerWaalsContact O-CB 3.31Å; K7-T11 WeakPolarHBondContact O-CB 3.48Å; K7-T11 PolarHBondContact O-N 2.71Å; K7-T11 PolarHBondContact O-OG1 3.05Å
8D98.6Very high93.1Very high15 Ų1576.4 Ų76.48%0.0841%0.407CS..Hα-helixtrans-61.1-45.5176.1-59.6-63000110.2L4 T5 A6 T11 V12 A127 K130L4-D8 HydrophobicContact CB-CB 4.27Å; L4-D8 HydrophobicContact CD2-CB 3.95Å; T5-D8 VanDerWaalsContact CB-OD2 3.3Å; T5-D8 WeakPolarHBondContact CB-OD2 3.3Å; T5-D8 WeakPolarHBondContact CG2-OD2 3.4Å; T5-D8 PolarHBondContact N-OD2 2.64Å; T5-D8 PolarHBondContact O-N 3.09Å; T5-D8 VanDerWaalsContact O-N 3.16Å; T5-D8 PolarHBondContact OG1-N 3.34Å; T5-D8 VanDerWaalsContact OG1-N 3.13Å; T5-D8 PolarHBondContact OG1-OD2 2.75Å; A6-D8 PolarHBondContact O-N 2.98Å; D8-T11 PolarHBondContact O-N 2.63Å; D8-V12 WeakPolarHBondContact O-CB 3.45Å; D8-V12 VanDerWaalsContact O-CG2 3.25Å; D8-V12 WeakPolarHBondContact O-CG2 3.39Å; D8-V12 PolarHBondContact O-N 2.9Å; D8-A127 HydrophobicContact CB-CB 4.26Å; D8-K130 IonicContact OD1-NZ 2.9Å; D8-K130 PolarHBondContact OD1-NZ 3.03Å; D8-K130 WeakPolarHBondContact OD2-CE 3.37Å; D8-K130 IonicContact OD2-NZ 2.63Å; D8-K130 PolarHBondContact OD2-NZ 3.39Å
9K98.6Very high93.4Very high45 Ų4572.4 Ų72.420%0.19639%0.385CS..Hα-helixtrans-63.1-45.4-179-64.6174.9177.1-176.30112L4 T5 A6 K7 V12 K13 I76 D77L4-K9 HydrophobicContact CB-CG 3.93Å; T5-K9 WeakPolarHBondContact O-CG 3.42Å; T5-K9 PolarHBondContact O-N 3.16Å; T5-K9 VanDerWaalsContact O-N 3.09Å; A6-K9 WeakPolarHBondContact O-CB 3.34Å; A6-K9 PolarHBondContact O-N 2.95Å; K7-K9 VanDerWaalsContact C-N 3.32Å; K7-K9 PolarHBondContact O-N 3.18Å; K9-V12 PolarHBondContact O-N 3.43Å; K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 VanDerWaalsContact O-CG 3.31Å; K9-K13 WeakPolarHBondContact O-CG 3.5Å; K9-K13 PolarHBondContact O-N 3.08Å; K9-I76 HydrophobicContact CB-CD1 4.23Å; K9-I76 HydrophobicContact CB-CG2 4.37Å; K9-I76 HydrophobicContact CD-CG2 4.44Å; K9-I76 HydrophobicContact CG-CD1 4.14Å; K9-I76 HydrophobicContact CG-CG1 4.11Å; K9-I76 HydrophobicContact CG-CG2 4.29Å; K9-D77 WeakPolarHBondContact CD-OD1 3.5Å; K9-D77 WeakPolarHBondContact CE-OD1 3.31Å; K9-D77 IonicContact NZ-OD1 2.71Å; K9-D77 PolarHBondContact NZ-OD1 3.48Å
10E98.7Very high93.6Very high131 Ų13171 Ų7161%0.61238%0.384SS*.Hα-helixtrans-61-45.1175.6-73.2170.5-173.100111.3A6 V12 K13 A14A6-E10 WeakPolarHBondContact O-CG 3.47Å; A6-E10 PolarHBondContact O-N 2.88Å; E10-V12 PolarHBondContact O-N 3.29Å; E10-K13 PolarHBondContact O-N 3.31Å; E10-A14 VanDerWaalsContact O-CB 3.29Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 3.43Å
11T98.8Very high93.8Very high31 Ų3172.9 Ų72.919%0.1940%0.4CS..Hα-helixtrans-61.2-45.7178.3-56.30000111.2K7 D8 A14 F15 V124 A127K7-T11 VanDerWaalsContact O-CB 3.31Å; K7-T11 WeakPolarHBondContact O-CB 3.48Å; K7-T11 PolarHBondContact O-N 2.71Å; K7-T11 PolarHBondContact O-OG1 3.05Å; D8-T11 PolarHBondContact O-N 2.63Å; T11-A14 PolarHBondContact O-N 2.7Å; T11-F15 WeakPolarHBondContact O-CB 3.32Å; T11-F15 PolarHBondContact O-N 2.95Å; T11-V124 HydrophobicContact CG2-CB 4.34Å; T11-V124 HydrophobicContact CG2-CG2 3.89Å; T11-A127 HydrophobicContact CG2-CB 3.71Å
12V98.9Very high96.1Very high5 Ų566.6 Ų66.63%0.0337%0.373CS..Hα-helixtrans-62.8-46.5177.31700000111.1D8 K9 E10 A14 F15 W16 V73 I76 A127 V128 F131D8-V12 WeakPolarHBondContact O-CB 3.45Å; D8-V12 VanDerWaalsContact O-CG2 3.25Å; D8-V12 WeakPolarHBondContact O-CG2 3.39Å; D8-V12 PolarHBondContact O-N 2.9Å; K9-V12 PolarHBondContact O-N 3.43Å; E10-V12 PolarHBondContact O-N 3.29Å; V12-A14 PolarHBondContact O-N 2.95Å; V12-F15 PolarHBondContact O-N 2.94Å; V12-W16 WeakPolarHBondContact O-CB 3.25Å; V12-W16 PolarHBondContact O-N 2.95Å; V12-V73 HydrophobicContact CG1-CG2 4.03Å; V12-I76 HydrophobicContact CB-CD1 3.91Å; V12-I76 HydrophobicContact CG1-CD1 3.71Å; V12-I76 HydrophobicContact CG2-CD1 4.45Å; V12-A127 HydrophobicContact CG2-CB 4.2Å; V12-V128 HydrophobicContact CG2-CG2 4.28Å; V12-F131 HydrophobicContact CG1-CB 4.37Å; V12-F131 HydrophobicContact CG1-CD1 4.01Å; V12-F131 HydrophobicContact CG1-CD2 4.19Å; V12-F131 HydrophobicContact CG1-CE1 4.35Å; V12-F131 HydrophobicContact CG1-CG 3.92Å; V12-F131 HydrophobicContact CG2-CB 3.73Å; V12-F131 HydrophobicContact CG2-CG 4.2Å
13K98.8Very high97.8Very high95 Ų9560.7 Ų60.741%0.41335%0.347SS..Hα-helixtrans-61.7-44.7177.8-72.4177.4-173.4-177.50111.6K9 E10 W16 A17 V73K9-K13 WeakPolarHBondContact O-CB 3.48Å; K9-K13 VanDerWaalsContact O-CG 3.31Å; K9-K13 WeakPolarHBondContact O-CG 3.5Å; K9-K13 PolarHBondContact O-N 3.08Å; E10-K13 PolarHBondContact O-N 3.31Å; K13-W16 PolarHBondContact O-N 3.29Å; K13-A17 PolarHBondContact O-N 2.81Å; K13-A17 VanDerWaalsContact O-N 3.09Å; K13-V73 HydrophobicContact CG-CG1 4.14Å
14A98.8Very high98.2Very high63 Ų6363.4 Ų63.452%0.52135%0.35SS..Hα-helixtrans-64.9-43.1179.300000112.3E10 T11 V12E10-A14 VanDerWaalsContact O-CB 3.29Å; E10-A14 WeakPolarHBondContact O-CB 3.45Å; E10-A14 PolarHBondContact O-N 3.43Å; T11-A14 PolarHBondContact O-N 2.7Å; V12-A14 PolarHBondContact O-N 2.95Å
15F98.8Very high98.2Very high8 Ų866.8 Ų66.84%0.03537%0.368CS..Hα-helixtrans-68.1-41.5175.6-176.5-111.4000111.7T11 V12 A17 K18 V19 F112 F116 D119 F120 V124 V128T11-F15 WeakPolarHBondContact O-CB 3.32Å; T11-F15 PolarHBondContact O-N 2.95Å; V12-F15 PolarHBondContact O-N 2.94Å; F15-A17 VanDerWaalsContact C-N 3.25Å; F15-A17 PolarHBondContact O-N 3.47Å; F15-K18 WeakPolarHBondContact O-CB 3.31Å; F15-K18 PolarHBondContact O-N 3.47Å; F15-V19 HydrophobicContact CD1-CG2 3.92Å; F15-V19 HydrophobicContact CE1-CG2 3.49Å; F15-V19 VanDerWaalsContact CE1-CG2 3.49Å; F15-V19 HydrophobicContact CE2-CG2 4.41Å; F15-V19 HydrophobicContact CZ-CG2 3.76Å; F15-V19 PolarHBondContact O-N 2.95Å; F15-F112 HydrophobicContact CE1-CB 4.16Å; F15-F112 HydrophobicContact CE1-CD1 4.13Å; F15-F112 AromaticContact CE1-CD2 3.75Å; F15-F112 HydrophobicContact CE1-CD2 3.75Å; F15-F112 HydrophobicContact CE1-CE1 4.43Å; F15-F112 HydrophobicContact CE1-CE2 4.08Å; F15-F112 AromaticContact CE1-CG 3.78Å; F15-F112 HydrophobicContact CE1-CG 3.78Å; F15-F112 HydrophobicContact CE1-CZ 4.41Å; F15-F112 HydrophobicContact CZ-CB 4.04Å; F15-F112 HydrophobicContact CZ-CD1 4.41Å; F15-F112 HydrophobicContact CZ-CD2 4.48Å; F15-F112 HydrophobicContact CZ-CG 4.1Å; F15-F116 HydrophobicContact CE2-CB 4.05Å; F15-F116 HydrophobicContact CE2-CG 4.31Å; F15-F116 HydrophobicContact CZ-CB 4.19Å; F15-F116 HydrophobicContact CZ-CD2 4.25Å; F15-F116 HydrophobicContact CZ-CG 4.3Å; F15-D119 HydrophobicContact CD2-CB 4.38Å; F15-D119 HydrophobicContact CE2-CB 4.06Å; F15-F120 AromaticContact CE1-CD2 3.85Å; F15-F120 HydrophobicContact CE1-CD2 3.85Å; F15-F120 HydrophobicContact CE1-CE2 4.17Å; F15-F120 HydrophobicContact CE2-CB 4.39Å; F15-F120 HydrophobicContact CE2-CD2 4.08Å; F15-F120 HydrophobicContact CZ-CB 4.37Å; F15-F120 AromaticContact CZ-CD2 3.55Å; F15-F120 HydrophobicContact CZ-CD2 3.55Å; F15-F120 HydrophobicContact CZ-CE2 4.31Å; F15-F120 HydrophobicContact CZ-CG 4.38Å; F15-V124 HydrophobicContact CB-CG1 3.89Å; F15-V124 HydrophobicContact CD1-CG1 3.94Å; F15-V124 HydrophobicContact CD2-CG1 3.63Å; F15-V124 HydrophobicContact CE1-CG1 4.41Å; F15-V124 HydrophobicContact CE2-CG1 4.14Å; F15-V124 HydrophobicContact CG-CG1 3.53Å; F15-V128 HydrophobicContact CD1-CG2 3.88Å; F15-V128 HydrophobicContact CE1-CG2 4.46Å
16W98.7Very high98.3Very high38 Ų3863.4 Ų63.414%0.14435%0.347CS..Hα-helixtrans-58.1-36.9177.5-176.9-104.1000112.4V12 K13 K18 V19 A20 M66 V69 A70 V73V12-W16 WeakPolarHBondContact O-CB 3.25Å; V12-W16 PolarHBondContact O-N 2.95Å; K13-W16 PolarHBondContact O-N 3.29Å; W16-K18 PolarHBondContact O-N 3.36Å; W16-V19 HydrophobicContact CD2-CG1 4.43Å; W16-V19 HydrophobicContact CE3-CB 4.14Å; W16-V19 HydrophobicContact CE3-CG1 3.66Å; W16-V19 HydrophobicContact CH2-CG1 4.22Å; W16-V19 HydrophobicContact CZ3-CG1 3.56Å; W16-V19 PolarHBondContact O-N 3.43Å; W16-A20 WeakPolarHBondContact O-CB 3.46Å; W16-A20 PolarHBondContact O-N 3.4Å; W16-M66 HydrophobicContact CH2-CE 3.75Å; W16-M66 HydrophobicContact CZ3-CE 3.61Å; W16-V69 HydrophobicContact CE3-CG1 4.2Å; W16-V69 HydrophobicContact CH2-CB 4.11Å; W16-V69 HydrophobicContact CH2-CG1 3.88Å; W16-V69 HydrophobicContact CZ3-CB 4.22Å; W16-V69 HydrophobicContact CZ3-CG1 3.5Å; W16-A70 HydrophobicContact CH2-CB 4.26Å; W16-A70 HydrophobicContact CZ2-CB 3.44Å; W16-A70 VanDerWaalsContact CZ2-CB 3.44Å; W16-V73 HydrophobicContact CB-CG1 4.08Å; W16-V73 HydrophobicContact CB-CG2 4.27Å; W16-V73 HydrophobicContact CD2-CG2 3.96Å; W16-V73 HydrophobicContact CE3-CG2 4.23Å; W16-V73 HydrophobicContact CG-CB 4.28Å; W16-V73 HydrophobicContact CG-CG1 3.96Å; W16-V73 HydrophobicContact CG-CG2 3.94Å
17A98.6Very high98.3Very high67 Ų6760.2 Ų60.255%0.55432%0.321SS*.Hα-helixtrans-58.3-29.8175.800000113.4K13 F15K13-A17 PolarHBondContact O-N 2.81Å; K13-A17 VanDerWaalsContact O-N 3.09Å; F15-A17 VanDerWaalsContact C-N 3.25Å; F15-A17 PolarHBondContact O-N 3.47Å
18K98.3Very high98.3Very high103 Ų10355.2 Ų55.245%0.44830%0.3SS..Hα-helixtrans-81.4-31.8174.6-58.2179.2179.6179.30112.5F15 W16 F116 D119F15-K18 WeakPolarHBondContact O-CB 3.31Å; F15-K18 PolarHBondContact O-N 3.47Å; W16-K18 PolarHBondContact O-N 3.36Å; K18-F116 HydrophobicContact CB-CE1 4.36Å; K18-F116 WeakPolarHBondContact O-CE1 3.37Å; K18-D119 HydrophobicContact CD-CB 4.23Å; K18-D119 IonicContact NZ-OD1 3.43Å; K18-D119 PolarHBondContact NZ-OD1 2.93Å
19V98.1Very high98.3Very high0 Ų056.1 Ų56.10%031%0.305CS..Hα-helixtrans-76-40.6-179.8163.20000112.2F15 W16 P21 K22 A23 I26 M66 F112 F116F15-V19 HydrophobicContact CD1-CG2 3.92Å; F15-V19 HydrophobicContact CE1-CG2 3.49Å; F15-V19 VanDerWaalsContact CE1-CG2 3.49Å; F15-V19 HydrophobicContact CE2-CG2 4.41Å; F15-V19 HydrophobicContact CZ-CG2 3.76Å; F15-V19 PolarHBondContact O-N 2.95Å; W16-V19 HydrophobicContact CD2-CG1 4.43Å; W16-V19 HydrophobicContact CE3-CB 4.14Å; W16-V19 HydrophobicContact CE3-CG1 3.66Å; W16-V19 HydrophobicContact CH2-CG1 4.22Å; W16-V19 HydrophobicContact CZ3-CG1 3.56Å; W16-V19 PolarHBondContact O-N 3.43Å; V19-P21 VanDerWaalsContact C-CD 3.46Å; V19-K22 CarbonylContact O-C 3.36Å; V19-K22 WeakPolarHBondContact O-CA 3.5Å; V19-K22 PolarHBondContact O-N 2.83Å; V19-A23 PolarHBondContact O-N 3.21Å; V19-I26 HydrophobicContact CB-CD1 4.42Å; V19-I26 HydrophobicContact CG1-CD1 3.71Å; V19-M66 HydrophobicContact CG1-CE 4.3Å; V19-F112 HydrophobicContact CB-CE1 4.33Å; V19-F112 HydrophobicContact CG1-CE1 3.6Å; V19-F112 HydrophobicContact CG1-CZ 4.06Å; V19-F112 HydrophobicContact CG2-CD1 4.04Å; V19-F112 HydrophobicContact CG2-CE1 3.71Å; V19-F112 HydrophobicContact CG2-CZ 4.26Å; V19-F116 HydrophobicContact CG2-CD2 4.38Å; V19-F116 HydrophobicContact CG2-CE2 3.91Å; V19-F116 HydrophobicContact CG2-CZ 4.11Å
20A98.1Very high98.3Very high44 Ų4454.1 Ų54.136%0.36430%0.296SS..G310 helixtrans-52.8-42.6-169.200000114.5W16 K22 A23W16-A20 WeakPolarHBondContact O-CB 3.46Å; W16-A20 PolarHBondContact O-N 3.4Å; A20-K22 PolarHBondContact O-N 3.13Å; A20-K22 VanDerWaalsContact O-N 3.09Å; A20-A23 WeakPolarHBondContact O-CB 3.41Å; A20-A23 PolarHBondContact O-N 3.39Å
21P98.2Very high98.3Very high111 Ų11148 Ų4872%0.72127%0.268SS*.G310 helixtrans-64.2-15.1177.5-22.534.9000114.7V19V19-P21 VanDerWaalsContact C-CD 3.46Å
22K97.5Very high98.3Very high102 Ų10246.9 Ų46.944%0.44326%0.261SS..G310 helixtrans-11913.9-178.7-58-178.6-175.3174.70112.2V19 A20 E24 D25 I26 F116V19-K22 CarbonylContact O-C 3.36Å; V19-K22 WeakPolarHBondContact O-CA 3.5Å; V19-K22 PolarHBondContact O-N 2.83Å; A20-K22 PolarHBondContact O-N 3.13Å; A20-K22 VanDerWaalsContact O-N 3.09Å; K22-E24 VanDerWaalsContact C-N 3.29Å; K22-E24 PolarHBondContact O-N 2.71Å; K22-D25 PolarHBondContact O-N 2.72Å; K22-I26 HydrophobicContact CB-CD1 3.96Å; K22-I26 HydrophobicContact CB-CG1 4.46Å; K22-I26 WeakPolarHBondContact O-CD1 3.43Å; K22-I26 VanDerWaalsContact O-CG1 3.27Å; K22-I26 WeakPolarHBondContact O-CG1 3.44Å; K22-I26 PolarHBondContact O-N 3.33Å; K22-F116 HydrophobicContact CD-CE1 4.49Å; K22-F116 HydrophobicContact CD-CZ 4.04Å
23A97.4Very high98.3Very high18 Ų1850.4 Ų50.415%0.14927%0.274CS..Hα-helixtrans-58.4-39.2-171.200000112.7V19 A20 I26 G27 M66V19-A23 PolarHBondContact O-N 3.21Å; A20-A23 WeakPolarHBondContact O-CB 3.41Å; A20-A23 PolarHBondContact O-N 3.39Å; A23-I26 PolarHBondContact O-N 3.45Å; A23-G27 PolarHBondContact O-N 3.32Å; A23-M66 HydrophobicContact CB-CB 4.11Å; A23-M66 VanDerWaalsContact O-CG 3.3Å; A23-M66 WeakPolarHBondContact O-CG 3.22Å
24E96.4Very high98.3Very high142 Ų14246.4 Ų46.466%0.66426%0.257SS*.Hα-helixtrans-63.3-49.6179-60-171.6174.200112.2K22 I26 G27 Q28 A63K22-E24 VanDerWaalsContact C-N 3.29Å; K22-E24 PolarHBondContact O-N 2.71Å; E24-I26 VanDerWaalsContact C-N 3.3Å; E24-I26 PolarHBondContact O-N 3.44Å; E24-G27 PolarHBondContact O-N 3.04Å; E24-Q28 PolarHBondContact O-N 3.45Å; E24-A63 HydrophobicContact CB-CB 4.27Å; E24-A63 HydrophobicContact CG-CB 3.91Å
25D97.1Very high98.3Very high96 Ų9643.4 Ų43.451%0.51323%0.232SC..Hα-helixtrans-61.3-39.2177.7-73.8-17.7000112.1K22 D29K22-D25 PolarHBondContact O-N 2.72Å; D25-D29 WeakPolarHBondContact O-CB 3.26Å; D25-D29 PolarHBondContact O-N 3.06Å; D25-D29 VanDerWaalsContact O-N 3.12Å
26I98.5Very high98.2Very high0 Ų047.1 Ų47.10%026%0.255CS..Hα-helixtrans-65.3-45.9176.5-70.6161.3000110.5V19 K22 A23 E24 D29 A30 M66 V111 F112 K115 F116V19-I26 HydrophobicContact CB-CD1 4.42Å; V19-I26 HydrophobicContact CG1-CD1 3.71Å; K22-I26 HydrophobicContact CB-CD1 3.96Å; K22-I26 HydrophobicContact CB-CG1 4.46Å; K22-I26 WeakPolarHBondContact O-CD1 3.43Å; K22-I26 VanDerWaalsContact O-CG1 3.27Å; K22-I26 WeakPolarHBondContact O-CG1 3.44Å; K22-I26 PolarHBondContact O-N 3.33Å; A23-I26 PolarHBondContact O-N 3.45Å; E24-I26 VanDerWaalsContact C-N 3.3Å; E24-I26 PolarHBondContact O-N 3.44Å; I26-D29 PolarHBondContact O-N 3.31Å; I26-A30 WeakPolarHBondContact O-CB 3.5Å; I26-A30 PolarHBondContact O-N 3.44Å; I26-M66 HydrophobicContact CB-CE 4.43Å; I26-M66 HydrophobicContact CG2-CE 3.75Å; I26-M66 HydrophobicContact CG2-SD 4.26Å; I26-V111 HydrophobicContact CB-CG1 4.2Å; I26-V111 HydrophobicContact CG1-CG1 4.17Å; I26-V111 HydrophobicContact CG2-CG1 3.83Å; I26-F112 HydrophobicContact CD1-CD1 4.48Å; I26-F112 HydrophobicContact CD1-CE1 4.23Å; I26-F112 HydrophobicContact CG2-CD1 4.17Å; I26-F112 HydrophobicContact CG2-CE1 3.77Å; I26-K115 HydrophobicContact CG1-CD 3.67Å; I26-F116 HydrophobicContact CD1-CE2 3.67Å; I26-F116 HydrophobicContact CD1-CZ 4.13Å
27G98.6Very high98.2Very high2 Ų249.6 Ų49.62%0.02127%0.274CS..Hα-helixtrans-62.4-44.3-179.300000112.2A23 E24 L31 G62A23-G27 PolarHBondContact O-N 3.32Å; E24-G27 PolarHBondContact O-N 3.04Å; G27-L31 VanDerWaalsContact O-CB 3.23Å; G27-L31 WeakPolarHBondContact O-CB 3.28Å; G27-L31 PolarHBondContact O-N 3.29Å; G27-G62 VanDerWaalsContact C-CA 3.43Å; G27-G62 WeakPolarHBondContact CA-O 3.47Å
28Q98.2Very high98.2Very high44 Ų4449.3 Ų49.321%0.20626%0.26CS..Hα-helixtrans-59.2-47.5174179-166-54.700111.5E24 S32 V58 K59E24-Q28 PolarHBondContact O-N 3.45Å; Q28-S32 VanDerWaalsContact O-CB 3.25Å; Q28-S32 WeakPolarHBondContact O-CB 3.25Å; Q28-S32 PolarHBondContact O-N 3.31Å; Q28-S32 PolarHBondContact O-OG 3.17Å; Q28-V58 HydrophobicContact CG-CG1 4.22Å; Q28-K59 HydrophobicContact CG-CB 4.46Å; Q28-K59 HydrophobicContact CG-CG 4.03Å
29D98.6Very high98.2Very high34 Ų3448 Ų4818%0.18226%0.262CS..Hα-helixtrans-64.2-47-177.9-167.9-1.9000110.8D25 I26 L31 S32 R33 V111D25-D29 WeakPolarHBondContact O-CB 3.26Å; D25-D29 PolarHBondContact O-N 3.06Å; D25-D29 VanDerWaalsContact O-N 3.12Å; I26-D29 PolarHBondContact O-N 3.31Å; D29-L31 PolarHBondContact O-N 2.87Å; D29-S32 PolarHBondContact O-N 3.11Å; D29-R33 VanDerWaalsContact O-CG 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.4Å; D29-R33 PolarHBondContact O-N 3.4Å; D29-R33 IonicContact OD1-CZ 2.64Å; D29-R33 IonicContact OD1-NE 3.53Å; D29-R33 PolarHBondContact OD1-NE 3.27Å; D29-R33 IonicContact OD1-NH2 3.88Å; D29-R33 PolarHBondContact OD1-NH2 2.87Å; D29-R33 IonicContact OD2-NE 2.76Å; D29-R33 IonicContact OD2-NH2 3.93Å; D29-V111 HydrophobicContact CB-CG1 4.08Å; D29-V111 HydrophobicContact CB-CG2 3.94Å
30A98.8Very high98.2Very high2 Ų252.9 Ų52.92%0.01728%0.284CS..Hα-helixtrans-62.6-43.8178.900000112I26 R33 M34 N107 I108 V111I26-A30 WeakPolarHBondContact O-CB 3.5Å; I26-A30 PolarHBondContact O-N 3.44Å; A30-R33 PolarHBondContact O-N 2.82Å; A30-M34 WeakPolarHBondContact O-CB 3.42Å; A30-M34 PolarHBondContact O-N 3.12Å; A30-N107 HydrophobicContact CB-CB 4.45Å; A30-I108 HydrophobicContact CB-CG1 3.82Å; A30-V111 HydrophobicContact CB-CG2 4.09Å
31L98.8Very high98.2Very high2 Ų250.9 Ų50.91%0.0127%0.267CS..Hα-helixtrans-68-40.4178.1-176.161000111.9G27 D29 R33 M34 L35 F45 W48 V58 H61G27-L31 VanDerWaalsContact O-CB 3.23Å; G27-L31 WeakPolarHBondContact O-CB 3.28Å; G27-L31 PolarHBondContact O-N 3.29Å; D29-L31 PolarHBondContact O-N 2.87Å; L31-R33 PolarHBondContact O-N 2.85Å; L31-M34 HydrophobicContact CD1-CE 3.48Å; L31-M34 VanDerWaalsContact CD1-CE 3.48Å; L31-M34 PolarHBondContact O-N 3.05Å; L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CD1-CG 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.16Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.48Å; L31-F45 HydrophobicContact CD1-CE2 4.44Å; L31-F45 HydrophobicContact CD1-CZ 4.14Å; L31-W48 HydrophobicContact CD2-CH2 4.02Å; L31-W48 HydrophobicContact CD2-CZ3 4.28Å; L31-V58 HydrophobicContact CB-CG1 4.3Å; L31-V58 HydrophobicContact CD2-CG1 4.17Å; L31-V58 HydrophobicContact CG-CG1 4.2Å; L31-H61 HydrophobicContact CD2-CB 3.87Å
32S98.7Very high98.2Very high8 Ų849.8 Ų49.86%0.05625%0.251CS..Hα-helixtrans-58.6-48174.5-60.20000111Q28 D29 L35 V36 P53 V58Q28-S32 VanDerWaalsContact O-CB 3.25Å; Q28-S32 WeakPolarHBondContact O-CB 3.25Å; Q28-S32 PolarHBondContact O-N 3.31Å; Q28-S32 PolarHBondContact O-OG 3.17Å; D29-S32 PolarHBondContact O-N 3.11Å; S32-L35 PolarHBondContact O-N 3.44Å; S32-V36 WeakPolarHBondContact O-CG2 3.32Å; S32-V36 PolarHBondContact O-N 3.22Å; S32-P53 WeakPolarHBondContact OG-CA 3.44Å; S32-V58 VanDerWaalsContact OG-CG1 3.31Å; S32-V58 WeakPolarHBondContact OG-CG1 3.48Å
33R98.8Very high98.2Very high80 Ų8049.2 Ų49.230%0.30226%0.257SS..Hα-helixtrans-62-44.2178-70.7169.3-176.1-87.1-7.3111.9D29 A30 L31 L35 V36 V37 N107 I114D29-R33 VanDerWaalsContact O-CG 3.28Å; D29-R33 WeakPolarHBondContact O-CG 3.4Å; D29-R33 PolarHBondContact O-N 3.4Å; D29-R33 IonicContact OD1-CZ 2.64Å; D29-R33 IonicContact OD1-NE 3.53Å; D29-R33 PolarHBondContact OD1-NE 3.27Å; D29-R33 IonicContact OD1-NH2 3.88Å; D29-R33 PolarHBondContact OD1-NH2 2.87Å; D29-R33 IonicContact OD2-NE 2.76Å; D29-R33 IonicContact OD2-NH2 3.93Å; A30-R33 PolarHBondContact O-N 2.82Å; L31-R33 PolarHBondContact O-N 2.85Å; R33-L35 PolarHBondContact O-N 3.01Å; R33-V36 PolarHBondContact O-N 2.89Å; R33-V37 VanDerWaalsContact O-CB 3.31Å; R33-V37 WeakPolarHBondContact O-CB 3.42Å; R33-V37 WeakPolarHBondContact O-CG2 3.46Å; R33-V37 PolarHBondContact O-N 3.29Å; R33-N107 HydrophobicContact CB-CB 4.4Å; R33-N107 VanDerWaalsContact CB-OD1 3.23Å; R33-N107 WeakPolarHBondContact CB-OD1 3.48Å; R33-I114 VanDerWaalsContact NH2-CD1 3.31Å
34M98.8Very high98.2Very high10 Ų1051.6 Ų51.65%0.04926%0.262CS..Hα-helixtrans-56.3-51.1176.5-176.4-174.179.900111A30 L31 V36 Y38 T41 F45 I103 L104A30-M34 WeakPolarHBondContact O-CB 3.42Å; A30-M34 PolarHBondContact O-N 3.12Å; L31-M34 HydrophobicContact CD1-CE 3.48Å; L31-M34 VanDerWaalsContact CD1-CE 3.48Å; L31-M34 PolarHBondContact O-N 3.05Å; M34-V36 VanDerWaalsContact C-N 3.31Å; M34-V36 PolarHBondContact O-N 3.36Å; M34-Y38 CarbonylContact O-C 3.55Å; M34-Y38 WeakPolarHBondContact O-CA 3.48Å; M34-Y38 WeakPolarHBondContact O-CB 3.34Å; M34-Y38 PolarHBondContact O-N 3.06Å; M34-T41 HydrophobicContact CE-CG2 4.43Å; M34-T41 HydrophobicContact CG-CG2 3.89Å; M34-T41 HydrophobicContact SD-CG2 4.13Å; M34-F45 HydrophobicContact CE-CE2 3.71Å; M34-F45 HydrophobicContact CE-CZ 4.27Å; M34-I103 HydrophobicContact CG-CG2 3.97Å; M34-L104 HydrophobicContact SD-CB 3.81Å; M34-L104 HydrophobicContact SD-CD1 3.93Å; M34-L104 HydrophobicContact SD-CG 4.36Å
35L98.6Very high98.3Very high0 Ų046 Ų460%024%0.236CC..Hα-helixtrans-65.5-32-177.7-67168.9000113.1L31 S32 R33 K42 F45 W48 M51 V58L31-L35 HydrophobicContact CD1-CD1 4.35Å; L31-L35 HydrophobicContact CD1-CG 4.43Å; L31-L35 HydrophobicContact CG-CD1 4.16Å; L31-L35 WeakPolarHBondContact O-CG 3.44Å; L31-L35 PolarHBondContact O-N 3.48Å; S32-L35 PolarHBondContact O-N 3.44Å; R33-L35 PolarHBondContact O-N 3.01Å; L35-K42 HydrophobicContact CD2-CG 4.01Å; L35-K42 WeakPolarHBondContact O-CE 3.25Å; L35-F45 HydrophobicContact CD2-CD2 3.59Å; L35-F45 HydrophobicContact CD2-CE2 4.11Å; L35-F45 HydrophobicContact CD2-CG 4.3Å; L35-W48 HydrophobicContact CD1-CZ3 4.23Å; L35-M51 HydrophobicContact CD1-CB 4.34Å; L35-V58 HydrophobicContact CD1-CG2 3.87Å
36V98.4Very high98.3Very high86 Ų8645.7 Ų45.752%0.52124%0.241SC..Hα-helixtrans-80.1-50178.9172.20000111.8S32 R33 M34 P53S32-V36 WeakPolarHBondContact O-CG2 3.32Å; S32-V36 PolarHBondContact O-N 3.22Å; R33-V36 PolarHBondContact O-N 2.89Å; M34-V36 VanDerWaalsContact C-N 3.31Å; M34-V36 PolarHBondContact O-N 3.36Å; V36-P53 HydrophobicContact CG2-CG 3.78Å
37V98.6Very high98.2Very high90 Ų9052.3 Ų52.355%0.54527%0.272SS..Hα-helixtrans-81.9-28.6-171.2-1790000111.8R33 P39R33-V37 VanDerWaalsContact O-CB 3.31Å; R33-V37 WeakPolarHBondContact O-CB 3.42Å; R33-V37 WeakPolarHBondContact O-CG2 3.46Å; R33-V37 PolarHBondContact O-N 3.29Å; V37-P39 WeakPolarHBondContact O-CD 3.47Å
38Y98.3Very high98.2Very high62 Ų6254.1 Ų54.124%0.24328%0.278CS..  trans-122.470.7-177.7-58.4-89.2000109.9M34 Q40 T41 I103 H106 N107M34-Y38 CarbonylContact O-C 3.55Å; M34-Y38 WeakPolarHBondContact O-CA 3.48Å; M34-Y38 WeakPolarHBondContact O-CB 3.34Å; M34-Y38 PolarHBondContact O-N 3.06Å; Y38-Q40 VanDerWaalsContact CA-OE1 3.25Å; Y38-Q40 PolarHBondContact O-N 3.42Å; Y38-Q40 PolarHBondContact O-OE1 3.48Å; Y38-T41 WeakPolarHBondContact O-CG2 3.34Å; Y38-T41 PolarHBondContact O-N 2.67Å; Y38-T41 PolarHBondContact O-OG1 3.45Å; Y38-I103 HydrophobicContact CD1-CD1 4.27Å; Y38-I103 HydrophobicContact CD1-CG2 3.64Å; Y38-I103 HydrophobicContact CD2-CG2 3.42Å; Y38-I103 VanDerWaalsContact CD2-CG2 3.42Å; Y38-I103 HydrophobicContact CE1-CG2 4.07Å; Y38-I103 HydrophobicContact CE2-CG2 3.89Å; Y38-I103 HydrophobicContact CG-CG2 3.27Å; Y38-H106 PolarHBondContact OH-CD2 2.91Å; Y38-N107 WeakPolarHBondContact CE2-ND2 3.42Å
39P97.2Very high98.1Very high75 Ų7562.4 Ų62.449%0.48731%0.314SS..G310 helixtrans-60-21-170.725-35.5000114.2V37 T41 K42V37-P39 WeakPolarHBondContact O-CD 3.47Å; P39-T41 PolarHBondContact O-N 3.09Å; P39-K42 VanDerWaalsContact O-CB 3.27Å; P39-K42 WeakPolarHBondContact O-CB 3.5Å; P39-K42 WeakPolarHBondContact O-CG 3.41Å; P39-K42 PolarHBondContact O-N 2.94Å
40Q97.9Very high98.1Very high103 Ų10364.3 Ų64.348%0.48132%0.324SS..G310 helixtrans-58.2-27.8172.771.9-82.622.700112.9Y38 K42 T43Y38-Q40 VanDerWaalsContact CA-OE1 3.25Å; Y38-Q40 PolarHBondContact O-N 3.42Å; Y38-Q40 PolarHBondContact O-OE1 3.48Å; Q40-K42 PolarHBondContact O-N 2.9Å; Q40-T43 WeakPolarHBondContact O-CG2 3.41Å
41T98.4Very high98.1Very high1 Ų166 Ų661%0.00633%0.332CS..G310 helixtrans-72.9-15.717970.70000112.4M34 Y38 P39 T43 Y44 F45 I103M34-T41 HydrophobicContact CE-CG2 4.43Å; M34-T41 HydrophobicContact CG-CG2 3.89Å; M34-T41 HydrophobicContact SD-CG2 4.13Å; Y38-T41 WeakPolarHBondContact O-CG2 3.34Å; Y38-T41 PolarHBondContact O-N 2.67Å; Y38-T41 PolarHBondContact O-OG1 3.45Å; P39-T41 PolarHBondContact O-N 3.09Å; T41-T43 PolarHBondContact O-N 3.33Å; T41-Y44 WeakPolarHBondContact O-CD2 3.42Å; T41-Y44 PolarHBondContact O-N 3.1Å; T41-F45 WeakPolarHBondContact O-CD2 3.44Å; T41-I103 HydrophobicContact CG2-CD1 4.21Å; T41-I103 HydrophobicContact CG2-CG2 4.31Å
42K98.1Very high98Very high88 Ų8868.4 Ų68.438%0.38335%0.349SS..G310 helixtrans-62.5-24.9179.8-67-173.4-178-175.40112.9L35 P39 Q40 Y44 F45 S46 M51L35-K42 HydrophobicContact CD2-CG 4.01Å; L35-K42 WeakPolarHBondContact O-CE 3.25Å; P39-K42 VanDerWaalsContact O-CB 3.27Å; P39-K42 WeakPolarHBondContact O-CB 3.5Å; P39-K42 WeakPolarHBondContact O-CG 3.41Å; P39-K42 PolarHBondContact O-N 2.94Å; Q40-K42 PolarHBondContact O-N 2.9Å; K42-Y44 PolarHBondContact O-N 3.39Å; K42-F45 CarbonylContact O-C 3.59Å; K42-F45 PolarHBondContact O-N 3.42Å; K42-S46 PolarHBondContact O-N 2.87Å; K42-M51 HydrophobicContact CB-SD 3.88Å; K42-M51 HydrophobicContact CD-SD 4.21Å; K42-M51 HydrophobicContact CG-SD 3.95Å
43T98Very high98Very high91 Ų9172 Ų7256%0.55837%0.372SS*.G310 helixtrans-57-34.9-180-165.90000112.7Q40 T41 F45 S46Q40-T43 WeakPolarHBondContact O-CG2 3.41Å; T41-T43 PolarHBondContact O-N 3.33Å; T43-F45 PolarHBondContact O-N 3.34Å; T43-S46 PolarHBondContact O-OG 2.97Å
44Y98.3Very high97.9Very high68 Ų6869.4 Ų69.427%0.26737%0.37SS..G310 helixtrans-73.6-14.3179.7-56.4-66.6000113.2T41 K42 V96 D97 N100T41-Y44 WeakPolarHBondContact O-CD2 3.42Å; T41-Y44 PolarHBondContact O-N 3.1Å; K42-Y44 PolarHBondContact O-N 3.39Å; Y44-V96 HydrophobicContact CD1-CB 4.42Å; Y44-V96 HydrophobicContact CD1-CG2 3.98Å; Y44-V96 HydrophobicContact CE1-CB 4.29Å; Y44-V96 HydrophobicContact CE1-CG1 4.34Å; Y44-V96 HydrophobicContact CE1-CG2 4.33Å; Y44-V96 HydrophobicContact CE2-CG1 4.31Å; Y44-V96 HydrophobicContact CG-CG2 4.34Å; Y44-D97 WeakPolarHBondContact OH-CB 3.43Å; Y44-D97 PolarHBondContact OH-N 3.48Å; Y44-N100 VanDerWaalsContact CE2-ND2 3.33Å; Y44-N100 WeakPolarHBondContact CE2-ND2 3.33Å; Y44-N100 PolarHBondContact OH-ND2 2.88Å; Y44-N100 VanDerWaalsContact OH-ND2 3.11Å
45F98.2Very high97.8Very high23 Ų2369.2 Ų69.210%0.10137%0.37CS..G310 helixtrans-115.38.7-176.5-59.4-76000112.7L31 M34 L35 T41 K42 T43 H47 W48 M51 H61L31-F45 HydrophobicContact CD1-CE2 4.44Å; L31-F45 HydrophobicContact CD1-CZ 4.14Å; M34-F45 HydrophobicContact CE-CE2 3.71Å; M34-F45 HydrophobicContact CE-CZ 4.27Å; L35-F45 HydrophobicContact CD2-CD2 3.59Å; L35-F45 HydrophobicContact CD2-CE2 4.11Å; L35-F45 HydrophobicContact CD2-CG 4.3Å; T41-F45 WeakPolarHBondContact O-CD2 3.44Å; K42-F45 CarbonylContact O-C 3.59Å; K42-F45 PolarHBondContact O-N 3.42Å; T43-F45 PolarHBondContact O-N 3.34Å; F45-H47 PolarHBondContact O-N 2.94Å; F45-W48 HydrophobicContact CB-CD2 4.11Å; F45-W48 HydrophobicContact CB-CE3 3.92Å; F45-W48 HydrophobicContact CB-CZ3 4.18Å; F45-W48 HydrophobicContact CD1-CD2 4.15Å; F45-W48 AromaticContact CD1-CE2 3.84Å; F45-W48 HydrophobicContact CD1-CE3 4.01Å; F45-W48 AromaticContact CD1-CH2 3.19Å; F45-W48 HydrophobicContact CD1-CH2 3.19Å; F45-W48 AromaticContact CD1-CZ2 3.38Å; F45-W48 HydrophobicContact CD1-CZ2 3.38Å; F45-W48 AromaticContact CD1-CZ3 3.55Å; F45-W48 HydrophobicContact CD1-CZ3 3.55Å; F45-W48 AromaticContact CE1-CH2 3.48Å; F45-W48 HydrophobicContact CE1-CH2 3.48Å; F45-W48 VanDerWaalsContact CE1-CH2 3.48Å; F45-W48 AromaticContact CE1-CZ2 3.8Å; F45-W48 HydrophobicContact CE1-CZ2 3.8Å; F45-W48 HydrophobicContact CE1-CZ3 4.14Å; F45-W48 HydrophobicContact CG-CE3 4.21Å; F45-W48 HydrophobicContact CG-CH2 4.07Å; F45-W48 HydrophobicContact CG-CZ2 4.44Å; F45-W48 AromaticContact CG-CZ3 3.96Å; F45-W48 HydrophobicContact CG-CZ3 3.96Å; F45-W48 WeakPolarHBondContact O-CB 3.17Å; F45-W48 PolarHBondContact O-N 3.11Å; F45-M51 HydrophobicContact CB-CE 4.03Å; F45-M51 HydrophobicContact CB-SD 4.06Å; F45-M51 WeakPolarHBondContact O-CE 3.4Å; F45-H61 AromaticContact CE1-CD2 3.53Å; F45-H61 AromaticContact CE1-NE2 3.59Å
46S97.1Very high97.8Very high91 Ų9173 Ų7364%0.63640%0.401SS*.THydrogen-bonded Turntrans-54.3-18.7-174.257.30000115.6K42 T43 W48K42-S46 PolarHBondContact O-N 2.87Å; T43-S46 PolarHBondContact O-OG 2.97Å; S46-W48 VanDerWaalsContact C-N 3.29Å
47H96.7Very high97.8Very high138 Ų13870.8 Ų70.864%0.63939%0.388SS*.THydrogen-bonded Turntrans-75.3-13173.462.5-78.9000113.8F45F45-H47 PolarHBondContact O-N 2.94Å
48W98.3Very high97.8Very high40 Ų4066.5 Ų66.515%0.15236%0.362CS..  trans-81.3130.2174.3-65.5-5.6000111.2L31 L35 F45 S46 D50 M51 P57 V58 H61L31-W48 HydrophobicContact CD2-CH2 4.02Å; L31-W48 HydrophobicContact CD2-CZ3 4.28Å; L35-W48 HydrophobicContact CD1-CZ3 4.23Å; F45-W48 HydrophobicContact CB-CD2 4.11Å; F45-W48 HydrophobicContact CB-CE3 3.92Å; F45-W48 HydrophobicContact CB-CZ3 4.18Å; F45-W48 HydrophobicContact CD1-CD2 4.15Å; F45-W48 AromaticContact CD1-CE2 3.84Å; F45-W48 HydrophobicContact CD1-CE3 4.01Å; F45-W48 AromaticContact CD1-CH2 3.19Å; F45-W48 HydrophobicContact CD1-CH2 3.19Å; F45-W48 AromaticContact CD1-CZ2 3.38Å; F45-W48 HydrophobicContact CD1-CZ2 3.38Å; F45-W48 AromaticContact CD1-CZ3 3.55Å; F45-W48 HydrophobicContact CD1-CZ3 3.55Å; F45-W48 AromaticContact CE1-CH2 3.48Å; F45-W48 HydrophobicContact CE1-CH2 3.48Å; F45-W48 VanDerWaalsContact CE1-CH2 3.48Å; F45-W48 AromaticContact CE1-CZ2 3.8Å; F45-W48 HydrophobicContact CE1-CZ2 3.8Å; F45-W48 HydrophobicContact CE1-CZ3 4.14Å; F45-W48 HydrophobicContact CG-CE3 4.21Å; F45-W48 HydrophobicContact CG-CH2 4.07Å; F45-W48 HydrophobicContact CG-CZ2 4.44Å; F45-W48 AromaticContact CG-CZ3 3.96Å; F45-W48 HydrophobicContact CG-CZ3 3.96Å; F45-W48 WeakPolarHBondContact O-CB 3.17Å; F45-W48 PolarHBondContact O-N 3.11Å; S46-W48 VanDerWaalsContact C-N 3.29Å; W48-D50 VanDerWaalsContact C-N 3.25Å; W48-D50 PolarHBondContact O-N 3.37Å; W48-M51 HydrophobicContact CB-CG 4.22Å; W48-M51 HydrophobicContact CE3-CG 4.29Å; W48-P57 HydrophobicContact CB-CB 4.29Å; W48-P57 HydrophobicContact CB-CG 4.48Å; W48-P57 HydrophobicContact CD2-CB 3.46Å; W48-P57 VanDerWaalsContact CD2-CB 3.46Å; W48-P57 HydrophobicContact CE3-CB 3.75Å; W48-P57 HydrophobicContact CG-CB 3.7Å; W48-P57 HydrophobicContact CG-CG 4.32Å; W48-P57 HydrophobicContact CZ2-CB 4.42Å; W48-P57 HydrophobicContact CZ3-CB 4.35Å; W48-V58 HydrophobicContact CE3-CG2 4.25Å; W48-V58 HydrophobicContact CZ3-CG2 3.9Å; W48-H61 HydrophobicContact CH2-CB 3.39Å; W48-H61 AromaticContact CH2-CD2 3.83Å; W48-H61 AromaticContact CH2-CG 3.68Å; W48-H61 HydrophobicContact CZ2-CB 3.55Å; W48-H61 AromaticContact CZ2-CG 3.73Å
49K96.3Very high97.8Very high219 Ų21968.6 Ų68.695%0.95237%0.373SS*.SBendtrans-67.2-26.6174.4-64.5-174.3178-177.30113.1
50D97.9Very high97.9Very high73 Ų7373 Ų7339%0.3938%0.384SS..  trans-142.2113.8-177-177.310.8000111.1W48 S52 S55W48-D50 VanDerWaalsContact C-N 3.25Å; W48-D50 PolarHBondContact O-N 3.37Å; D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.39Å; D50-S52 PolarHBondContact OD1-N 3.49Å; D50-S52 PolarHBondContact OD1-OG 3.44Å; D50-S52 PolarHBondContact OD2-OG 3Å; D50-S55 VanDerWaalsContact CG-CB 3.4Å; D50-S55 WeakPolarHBondContact O-CB 3.48Å; D50-S55 PolarHBondContact O-OG 3.46Å; D50-S55 WeakPolarHBondContact OD2-CB 3.48Å
51M98.2Very high97.9Very high39 Ų3971 Ų7119%0.19238%0.375CS..  trans-106.212.3176.3-59.4-174.7-157.100112.5L35 K42 F45 W48L35-M51 HydrophobicContact CD1-CB 4.34Å; K42-M51 HydrophobicContact CB-SD 3.88Å; K42-M51 HydrophobicContact CD-SD 4.21Å; K42-M51 HydrophobicContact CG-SD 3.95Å; F45-M51 HydrophobicContact CB-CE 4.03Å; F45-M51 HydrophobicContact CB-SD 4.06Å; F45-M51 WeakPolarHBondContact O-CE 3.4Å; W48-M51 HydrophobicContact CB-CG 4.22Å; W48-M51 HydrophobicContact CE3-CG 4.29Å
52S98.1Very high97.9Very high52 Ų5271 Ų7136%0.36437%0.374SS..SBendtrans-64.4151.4178.365.80000111.3D50 G54 S55D50-S52 VanDerWaalsContact CG-OG 3.28Å; D50-S52 WeakPolarHBondContact OD1-CB 3.39Å; D50-S52 PolarHBondContact OD1-N 3.49Å; D50-S52 PolarHBondContact OD1-OG 3.44Å; D50-S52 PolarHBondContact OD2-OG 3Å; S52-G54 PolarHBondContact O-N 3.02Å; S52-S55 WeakPolarHBondContact O-CB 3.29Å; S52-S55 PolarHBondContact O-N 3.11Å; S52-S55 PolarHBondContact O-OG 3.25Å
53P98.2Very high98Very high83 Ų8368.1 Ų68.154%0.53937%0.368SS..THydrogen-bonded Turntrans-52.5125.3173.8-2937.2000112S32 V36 S55S32-P53 WeakPolarHBondContact OG-CA 3.44Å; V36-P53 HydrophobicContact CG2-CG 3.78Å; P53-S55 VanDerWaalsContact C-N 3.33Å
54G95.6Very high98Very high26 Ų2667.9 Ų67.927%0.26837%0.366SS..THydrogen-bonded Turntrans79.47-178.900000115.6S52 K59S52-G54 PolarHBondContact O-N 3.02Å; G54-K59 WeakPolarHBondContact O-CE 3.31Å
55S98.4Very high98Very high6 Ų666.1 Ų66.14%0.04236%0.362CS..  trans-61.4151.4169.780.30000111.4D50 S52 P53 V58 K59D50-S55 VanDerWaalsContact CG-CB 3.4Å; D50-S55 WeakPolarHBondContact O-CB 3.48Å; D50-S55 PolarHBondContact O-OG 3.46Å; D50-S55 WeakPolarHBondContact OD2-CB 3.48Å; S52-S55 WeakPolarHBondContact O-CB 3.29Å; S52-S55 PolarHBondContact O-N 3.11Å; S52-S55 PolarHBondContact O-OG 3.25Å; P53-S55 VanDerWaalsContact C-N 3.33Å; S55-V58 PolarHBondContact O-N 2.85Å; S55-V58 VanDerWaalsContact OG-CG2 3.25Å; S55-V58 WeakPolarHBondContact OG-CG2 3.4Å; S55-V58 PolarHBondContact OG-N 2.95Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.29Å; S55-K59 PolarHBondContact O-N 3.12Å
56A98.3Very high98Very high78 Ų7865.1 Ų65.165%0.64536%0.358SS*.Hα-helixtrans-55.6-42.1-178.500000113.9V58 K59 K60A56-V58 PolarHBondContact O-N 3.01Å; A56-K59 PolarHBondContact O-N 2.96Å; A56-K60 WeakPolarHBondContact O-CB 3.36Å; A56-K60 PolarHBondContact O-N 3.02Å; A56-K60 VanDerWaalsContact O-N 3.09Å
57P98.5Very high98.1Very high40 Ų4062.7 Ų62.726%0.2635%0.347SS..Hα-helixtrans-59.5-42.2172.9-24.534.4000113.3W48 K60 H61W48-P57 HydrophobicContact CB-CB 4.29Å; W48-P57 HydrophobicContact CB-CG 4.48Å; W48-P57 HydrophobicContact CD2-CB 3.46Å; W48-P57 VanDerWaalsContact CD2-CB 3.46Å; W48-P57 HydrophobicContact CE3-CB 3.75Å; W48-P57 HydrophobicContact CG-CB 3.7Å; W48-P57 HydrophobicContact CG-CG 4.32Å; W48-P57 HydrophobicContact CZ2-CB 4.42Å; W48-P57 HydrophobicContact CZ3-CB 4.35Å; P57-K60 PolarHBondContact O-N 3.1Å; P57-H61 WeakPolarHBondContact O-CB 3.21Å; P57-H61 PolarHBondContact O-N 2.94Å
58V98.6Very high98.1Very high0 Ų056.8 Ų56.80%032%0.324CS..Hα-helixtrans-66.3-42.7179.7172.90000111.2Q28 L31 S32 L35 W48 S55 A56 G62Q28-V58 HydrophobicContact CG-CG1 4.22Å; L31-V58 HydrophobicContact CB-CG1 4.3Å; L31-V58 HydrophobicContact CD2-CG1 4.17Å; L31-V58 HydrophobicContact CG-CG1 4.2Å; S32-V58 VanDerWaalsContact OG-CG1 3.31Å; S32-V58 WeakPolarHBondContact OG-CG1 3.48Å; L35-V58 HydrophobicContact CD1-CG2 3.87Å; W48-V58 HydrophobicContact CE3-CG2 4.25Å; W48-V58 HydrophobicContact CZ3-CG2 3.9Å; S55-V58 PolarHBondContact O-N 2.85Å; S55-V58 VanDerWaalsContact OG-CG2 3.25Å; S55-V58 WeakPolarHBondContact OG-CG2 3.4Å; S55-V58 PolarHBondContact OG-N 2.95Å; A56-V58 PolarHBondContact O-N 3.01Å; V58-G62 PolarHBondContact O-N 2.98Å
59K98.4Very high98.2Very high107 Ų10755.4 Ų55.447%0.46532%0.32SS..Hα-helixtrans-59.1-52.1175.6-53.2-153.5169.21710111.3Q28 G54 S55 A56 H61 G62 A63Q28-K59 HydrophobicContact CG-CB 4.46Å; Q28-K59 HydrophobicContact CG-CG 4.03Å; G54-K59 WeakPolarHBondContact O-CE 3.31Å; S55-K59 VanDerWaalsContact O-CG 3.3Å; S55-K59 WeakPolarHBondContact O-CG 3.29Å; S55-K59 PolarHBondContact O-N 3.12Å; A56-K59 PolarHBondContact O-N 2.96Å; K59-H61 PolarHBondContact O-N 3.35Å; K59-G62 PolarHBondContact O-N 3.36Å; K59-A63 PolarHBondContact O-N 2.93Å; K59-A63 VanDerWaalsContact O-N 3.09Å
60K98.5Very high98.3Very high166 Ų16646.6 Ų46.672%0.72229%0.288SS*.Hα-helixtrans-61.3-45.7-177.2-177.4178.2178.9179.30111.9A56 P57 T64A56-K60 WeakPolarHBondContact O-CB 3.36Å; A56-K60 PolarHBondContact O-N 3.02Å; A56-K60 VanDerWaalsContact O-N 3.09Å; P57-K60 PolarHBondContact O-N 3.1Å; K60-T64 PolarHBondContact O-N 3.02Å; K60-T64 PolarHBondContact O-OG1 3.2Å
61H98.6Very high98.3Very high62 Ų6247 Ų4729%0.28729%0.288SS..Hα-helixtrans-75.4-33.3-178.8-163.768.4000112.3L31 F45 W48 P57 K59 A63 T64 V65L31-H61 HydrophobicContact CD2-CB 3.87Å; F45-H61 AromaticContact CE1-CD2 3.53Å; F45-H61 AromaticContact CE1-NE2 3.59Å; W48-H61 HydrophobicContact CH2-CB 3.39Å; W48-H61 AromaticContact CH2-CD2 3.83Å; W48-H61 AromaticContact CH2-CG 3.68Å; W48-H61 HydrophobicContact CZ2-CB 3.55Å; W48-H61 AromaticContact CZ2-CG 3.73Å; P57-H61 WeakPolarHBondContact O-CB 3.21Å; P57-H61 PolarHBondContact O-N 2.94Å; K59-H61 PolarHBondContact O-N 3.35Å; H61-A63 VanDerWaalsContact C-N 3.32Å; H61-A63 PolarHBondContact O-N 3.37Å; H61-T64 WeakPolarHBondContact O-CA 3.36Å; H61-T64 VanDerWaalsContact O-CB 3.31Å; H61-T64 WeakPolarHBondContact O-CB 3.31Å; H61-T64 PolarHBondContact O-N 3.36Å; H61-T64 VanDerWaalsContact O-N 3.07Å; H61-V65 WeakPolarHBondContact O-CG2 3.35Å; H61-V65 PolarHBondContact O-N 3.44Å
62G98.6Very high98.3Very high0 Ų045.2 Ų45.20%028%0.279CS..Hα-helixtrans-56.7-45171.400000112.3G27 V58 K59 T64 V65 M66G27-G62 VanDerWaalsContact C-CA 3.43Å; G27-G62 WeakPolarHBondContact CA-O 3.47Å; V58-G62 PolarHBondContact O-N 2.98Å; K59-G62 PolarHBondContact O-N 3.36Å; G62-T64 VanDerWaalsContact C-N 3.34Å; G62-T64 PolarHBondContact O-N 3.37Å; G62-V65 PolarHBondContact O-N 3.08Å; G62-M66 PolarHBondContact O-N 3.45Å
63A98.5Very high98.3Very high29 Ų2943.2 Ų43.224%0.2426%0.264CS..Hα-helixtrans-60.8-41.8172.500000112.2E24 K59 H61 V65 M66 G67E24-A63 HydrophobicContact CB-CB 4.27Å; E24-A63 HydrophobicContact CG-CB 3.91Å; K59-A63 PolarHBondContact O-N 2.93Å; K59-A63 VanDerWaalsContact O-N 3.09Å; H61-A63 VanDerWaalsContact C-N 3.32Å; H61-A63 PolarHBondContact O-N 3.37Å; A63-V65 PolarHBondContact O-N 2.58Å; A63-M66 PolarHBondContact O-N 2.87Å; A63-G67 PolarHBondContact O-N 2.79Å
64T98.4Very high98.3Very high86 Ų8643 Ų4353%0.52827%0.27SS..Hα-helixtrans-59.9-46.7176.8-55.40000111.7K60 H61 G62 M66 G67 G68K60-T64 PolarHBondContact O-N 3.02Å; K60-T64 PolarHBondContact O-OG1 3.2Å; H61-T64 WeakPolarHBondContact O-CA 3.36Å; H61-T64 VanDerWaalsContact O-CB 3.31Å; H61-T64 WeakPolarHBondContact O-CB 3.31Å; H61-T64 PolarHBondContact O-N 3.36Å; H61-T64 VanDerWaalsContact O-N 3.07Å; G62-T64 VanDerWaalsContact C-N 3.34Å; G62-T64 PolarHBondContact O-N 3.37Å; T64-M66 PolarHBondContact O-N 2.9Å; T64-G67 PolarHBondContact O-N 3.29Å; T64-G68 PolarHBondContact O-N 2.99Å; T64-G68 VanDerWaalsContact O-N 3.11Å
65V98.4Very high98.5Very high30 Ų3046.8 Ų46.818%0.18228%0.279CS..Hα-helixtrans-58.3-48.6176.9164.70000110.7H61 G62 A63 G67 G68 V69 L104H61-V65 WeakPolarHBondContact O-CG2 3.35Å; H61-V65 PolarHBondContact O-N 3.44Å; G62-V65 PolarHBondContact O-N 3.08Å; A63-V65 PolarHBondContact O-N 2.58Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 3.25Å; V65-G68 WeakPolarHBondContact O-CA 3.26Å; V65-G68 PolarHBondContact O-N 2.79Å; V65-V69 PolarHBondContact O-N 2.89Å; V65-L104 HydrophobicContact CG1-CD2 3.87Å; V65-L104 HydrophobicContact CG2-CD2 4.46Å
66M98.6Very high98.5Very high2 Ų246.8 Ų46.81%0.0128%0.278CS..Hα-helixtrans-71.1-24.7-178.7-65.7-59.5-67.200112.8W16 V19 A23 I26 G62 A63 T64 V69 A70 I108 F112W16-M66 HydrophobicContact CH2-CE 3.75Å; W16-M66 HydrophobicContact CZ3-CE 3.61Å; V19-M66 HydrophobicContact CG1-CE 4.3Å; A23-M66 HydrophobicContact CB-CB 4.11Å; A23-M66 VanDerWaalsContact O-CG 3.3Å; A23-M66 WeakPolarHBondContact O-CG 3.22Å; I26-M66 HydrophobicContact CB-CE 4.43Å; I26-M66 HydrophobicContact CG2-CE 3.75Å; I26-M66 HydrophobicContact CG2-SD 4.26Å; G62-M66 PolarHBondContact O-N 3.45Å; A63-M66 PolarHBondContact O-N 2.87Å; T64-M66 PolarHBondContact O-N 2.9Å; M66-V69 PolarHBondContact O-N 3.5Å; M66-V69 HydrophobicContact SD-CB 4.44Å; M66-V69 HydrophobicContact SD-CG2 4.11Å; M66-A70 PolarHBondContact O-N 3.45Å; M66-I108 HydrophobicContact SD-CD1 4.28Å; M66-I108 HydrophobicContact SD-CG1 4.48Å; M66-F112 HydrophobicContact CE-CE1 4.28Å; M66-F112 HydrophobicContact CE-CZ 4.21Å
67G98.5Very high98.4Very high40 Ų4048.2 Ų48.241%0.41228%0.275SS..Hα-helixtrans-61-44.516500000112.5A63 T64 V65 V69 A70 E71A63-G67 PolarHBondContact O-N 2.79Å; T64-G67 PolarHBondContact O-N 3.29Å; V65-G67 VanDerWaalsContact C-N 3.28Å; V65-G67 PolarHBondContact O-N 3.25Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 2.81Å; G67-A70 VanDerWaalsContact O-CB 3.29Å; G67-A70 WeakPolarHBondContact O-CB 3.35Å; G67-A70 PolarHBondContact O-N 3.4Å; G67-E71 PolarHBondContact O-N 3.19Å
68G98.3Very high98.3Very high15 Ų1550.7 Ų50.716%0.15529%0.286CS..Hα-helixtrans-63.9-36173.100000113.2T64 V65 E71 A72T64-G68 PolarHBondContact O-N 2.99Å; T64-G68 VanDerWaalsContact O-N 3.11Å; V65-G68 WeakPolarHBondContact O-CA 3.26Å; V65-G68 PolarHBondContact O-N 2.79Å; G68-E71 PolarHBondContact O-N 3.44Å; G68-A72 WeakPolarHBondContact O-CB 3.38Å; G68-A72 PolarHBondContact O-N 3.02Å
69V98.7Very high98.3Very high10 Ų1051.4 Ų51.46%0.06129%0.29CS..Hα-helixtrans-64.7-41.1171.91790000110.9W16 V65 M66 G67 E71 A72 V73 I108 F131 L135W16-V69 HydrophobicContact CE3-CG1 4.2Å; W16-V69 HydrophobicContact CH2-CB 4.11Å; W16-V69 HydrophobicContact CH2-CG1 3.88Å; W16-V69 HydrophobicContact CZ3-CB 4.22Å; W16-V69 HydrophobicContact CZ3-CG1 3.5Å; V65-V69 PolarHBondContact O-N 2.89Å; M66-V69 PolarHBondContact O-N 3.5Å; M66-V69 HydrophobicContact SD-CB 4.44Å; M66-V69 HydrophobicContact SD-CG2 4.11Å; G67-V69 VanDerWaalsContact C-N 3.34Å; G67-V69 PolarHBondContact O-N 2.81Å; V69-E71 VanDerWaalsContact C-N 3.35Å; V69-E71 PolarHBondContact O-N 2.99Å; V69-A72 WeakPolarHBondContact O-CB 3.38Å; V69-A72 PolarHBondContact O-N 2.98Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 2.89Å; V69-I108 HydrophobicContact CG2-CD1 4.38Å; V69-F131 HydrophobicContact CG1-CE1 4.12Å; V69-L135 HydrophobicContact CG2-CD1 4.44Å
70A98.6Very high98.2Very high35 Ų3549.1 Ų49.129%0.28929%0.285SS..Hα-helixtrans-59.7-45.5175.700000111.8W16 M66 G67 A72 V73 A74W16-A70 HydrophobicContact CH2-CB 4.26Å; W16-A70 HydrophobicContact CZ2-CB 3.44Å; W16-A70 VanDerWaalsContact CZ2-CB 3.44Å; M66-A70 PolarHBondContact O-N 3.45Å; G67-A70 VanDerWaalsContact O-CB 3.29Å; G67-A70 WeakPolarHBondContact O-CB 3.35Å; G67-A70 PolarHBondContact O-N 3.4Å; A70-A72 VanDerWaalsContact C-N 3.34Å; A70-A72 PolarHBondContact O-N 3.5Å; A70-V73 PolarHBondContact O-N 3.4Å; A70-A74 PolarHBondContact O-N 3.25Å
71E98.3Very high98.1Very high82 Ų8244 Ų4438%0.38327%0.274SS..Hα-helixtrans-59.6-45174.9-178.3174.3-166.900111.2G67 G68 V69 V73 A74 K75 L83G67-E71 PolarHBondContact O-N 3.19Å; G68-E71 PolarHBondContact O-N 3.44Å; V69-E71 VanDerWaalsContact C-N 3.35Å; V69-E71 PolarHBondContact O-N 2.99Å; E71-V73 VanDerWaalsContact C-N 3.34Å; E71-V73 PolarHBondContact O-N 3.27Å; E71-A74 CarbonylContact O-C 3.13Å; E71-A74 WeakPolarHBondContact O-CB 3.44Å; E71-A74 PolarHBondContact O-N 2.93Å; E71-A74 VanDerWaalsContact O-N 3.11Å; E71-K75 HydrophobicContact CG-CG 4.42Å; E71-K75 WeakPolarHBondContact O-CB 3.13Å; E71-K75 WeakPolarHBondContact O-CG 3.38Å; E71-K75 PolarHBondContact O-N 3.43Å; E71-L83 HydrophobicContact CG-CD2 4.34Å
72A98.5Very high98Very high0 Ų042.1 Ų42.10%027%0.27CS..Hα-helixtrans-61.7-38.3176.100000112.8G68 V69 A70 A74 K75 I76 L79 L83 F131 L135G68-A72 WeakPolarHBondContact O-CB 3.38Å; G68-A72 PolarHBondContact O-N 3.02Å; V69-A72 WeakPolarHBondContact O-CB 3.38Å; V69-A72 PolarHBondContact O-N 2.98Å; A70-A72 VanDerWaalsContact C-N 3.34Å; A70-A72 PolarHBondContact O-N 3.5Å; A72-A74 VanDerWaalsContact C-N 3.33Å; A72-K75 CarbonylContact O-C 3.5Å; A72-K75 PolarHBondContact O-N 3.23Å; A72-I76 WeakPolarHBondContact O-CA 3.45Å; A72-I76 PolarHBondContact O-N 2.98Å; A72-L79 HydrophobicContact CB-CD2 3.91Å; A72-L79 WeakPolarHBondContact O-CD2 3.2Å; A72-L83 HydrophobicContact CB-CD1 3.94Å; A72-L83 HydrophobicContact CB-CD2 4.18Å; A72-F131 HydrophobicContact CB-CE2 4.1Å; A72-F131 HydrophobicContact CB-CZ 3.72Å; A72-L135 HydrophobicContact CB-CD1 3.39Å; A72-L135 HydrophobicContact CB-CG 3.97Å
73V98.6Very high97.9Very high10 Ų1042.2 Ų42.26%0.06127%0.271CS..Hα-helixtrans-64-39.7173.4173.70000111V12 K13 W16 V69 A70 E71 K75 I76 F131V12-V73 HydrophobicContact CG1-CG2 4.03Å; K13-V73 HydrophobicContact CG-CG1 4.14Å; W16-V73 HydrophobicContact CB-CG1 4.08Å; W16-V73 HydrophobicContact CB-CG2 4.27Å; W16-V73 HydrophobicContact CD2-CG2 3.96Å; W16-V73 HydrophobicContact CE3-CG2 4.23Å; W16-V73 HydrophobicContact CG-CB 4.28Å; W16-V73 HydrophobicContact CG-CG1 3.96Å; W16-V73 HydrophobicContact CG-CG2 3.94Å; V69-V73 WeakPolarHBondContact O-CG2 3.49Å; V69-V73 PolarHBondContact O-N 2.89Å; A70-V73 PolarHBondContact O-N 3.4Å; E71-V73 VanDerWaalsContact C-N 3.34Å; E71-V73 PolarHBondContact O-N 3.27Å; V73-K75 VanDerWaalsContact C-N 3.29Å; V73-K75 PolarHBondContact O-N 3.42Å; V73-I76 WeakPolarHBondContact O-CB 3.22Å; V73-I76 WeakPolarHBondContact O-CG2 2.95Å; V73-I76 PolarHBondContact O-N 2.9Å; V73-F131 HydrophobicContact CB-CZ 4.43Å; V73-F131 HydrophobicContact CG2-CE1 3.9Å; V73-F131 HydrophobicContact CG2-CE2 4.24Å; V73-F131 HydrophobicContact CG2-CZ 3.53Å
74A98.4Very high97.9Very high79 Ų7943.8 Ų43.865%0.65328%0.275SS*.Hα-helixtrans-67.6-29.7175.800000112.8A70 E71 A72A70-A74 PolarHBondContact O-N 3.25Å; E71-A74 CarbonylContact O-C 3.13Å; E71-A74 WeakPolarHBondContact O-CB 3.44Å; E71-A74 PolarHBondContact O-N 2.93Å; E71-A74 VanDerWaalsContact O-N 3.11Å; A72-A74 VanDerWaalsContact C-N 3.33Å
75K98.3Very high97.8Very high106 Ų10644 Ų4446%0.46128%0.28SS..THydrogen-bonded Turntrans-100.618.3179-59.1-64.5-1761740113.6E71 A72 V73 D77 D78 L79E71-K75 HydrophobicContact CG-CG 4.42Å; E71-K75 WeakPolarHBondContact O-CB 3.13Å; E71-K75 WeakPolarHBondContact O-CG 3.38Å; E71-K75 PolarHBondContact O-N 3.43Å; A72-K75 CarbonylContact O-C 3.5Å; A72-K75 PolarHBondContact O-N 3.23Å; V73-K75 VanDerWaalsContact C-N 3.29Å; V73-K75 PolarHBondContact O-N 3.42Å; K75-D77 PolarHBondContact O-N 3.48Å; K75-D78 CarbonylContact O-C 3.46Å; K75-D78 PolarHBondContact O-N 3.17Å; K75-L79 PolarHBondContact O-N 3.46Å
76I98.1Very high97.7Very high5 Ų544.5 Ų44.53%0.02628%0.282CS..THydrogen-bonded Turntrans-61.4-16.5-169.9-159.1168.6000114.9L4 K9 V12 A72 V73 F131L4-I76 HydrophobicContact CD1-CD1 3.98Å; L4-I76 HydrophobicContact CD1-CG1 3.57Å; K9-I76 HydrophobicContact CB-CD1 4.23Å; K9-I76 HydrophobicContact CB-CG2 4.37Å; K9-I76 HydrophobicContact CD-CG2 4.44Å; K9-I76 HydrophobicContact CG-CD1 4.14Å; K9-I76 HydrophobicContact CG-CG1 4.11Å; K9-I76 HydrophobicContact CG-CG2 4.29Å; V12-I76 HydrophobicContact CB-CD1 3.91Å; V12-I76 HydrophobicContact CG1-CD1 3.71Å; V12-I76 HydrophobicContact CG2-CD1 4.45Å; A72-I76 WeakPolarHBondContact O-CA 3.45Å; A72-I76 PolarHBondContact O-N 2.98Å; V73-I76 WeakPolarHBondContact O-CB 3.22Å; V73-I76 WeakPolarHBondContact O-CG2 2.95Å; V73-I76 PolarHBondContact O-N 2.9Å; I76-F131 HydrophobicContact CD1-CD2 3.61Å; I76-F131 HydrophobicContact CD1-CE2 3.96Å; I76-F131 HydrophobicContact CD1-CG 4.43Å; I76-F131 HydrophobicContact CG1-CD2 3.8Å; I76-F131 HydrophobicContact CG1-CE2 3.98Å
77D97.3Very high97.7Very high108 Ų10844.4 Ų44.458%0.57828%0.281SS*.THydrogen-bonded Turntrans-78.7-29.2175.4-67.4-53.5000113.3K9 K75K9-D77 WeakPolarHBondContact CD-OD1 3.5Å; K9-D77 WeakPolarHBondContact CE-OD1 3.31Å; K9-D77 IonicContact NZ-OD1 2.71Å; K9-D77 PolarHBondContact NZ-OD1 3.48Å; K75-D77 PolarHBondContact O-N 3.48Å
78D96.9Very high97.6Very high93 Ų9346.2 Ų46.250%0.49728%0.279SS..  trans-146.781.3174.2-171.1-7.4000110.8K75 T80 A81 G82K75-D78 CarbonylContact O-C 3.46Å; K75-D78 PolarHBondContact O-N 3.17Å; D78-T80 VanDerWaalsContact C-N 3.34Å; D78-T80 PolarHBondContact OD1-N 3.11Å; D78-A81 PolarHBondContact OD1-N 3.19Å; D78-A81 VanDerWaalsContact OD2-CB 3.26Å; D78-A81 WeakPolarHBondContact OD2-CB 3.17Å; D78-G82 WeakPolarHBondContact O-CA 3.46Å; D78-G82 PolarHBondContact O-N 3.09Å
79L97.8Very high97.6Very high15 Ų1549.2 Ų49.28%0.07929%0.291CS..Hα-helixtrans-67.5-34.1-179.7-69.6172.8000112.5L4 A72 K75 G82 L83 F131 A134 A138L4-L79 HydrophobicContact CD1-CD1 4.45Å; A72-L79 HydrophobicContact CB-CD2 3.91Å; A72-L79 WeakPolarHBondContact O-CD2 3.2Å; K75-L79 PolarHBondContact O-N 3.46Å; L79-G82 PolarHBondContact O-N 3.07Å; L79-L83 HydrophobicContact CB-CD1 4.49Å; L79-L83 HydrophobicContact CD2-CD1 4.15Å; L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.78Å; L79-F131 HydrophobicContact CD1-CD2 4.44Å; L79-F131 HydrophobicContact CD1-CE2 4.47Å; L79-F131 HydrophobicContact CD2-CE2 4.23Å; L79-A134 HydrophobicContact CD1-CB 3.68Å; L79-A138 HydrophobicContact CB-CB 3.88Å; L79-A138 WeakPolarHBondContact O-CB 3.38Å
80T95.8Very high97.6Very high59 Ų5950.6 Ų50.636%0.36230%0.297SS..Hα-helixtrans-67.7-48.8-176.4-63.30000110.6D78 E141D78-T80 VanDerWaalsContact C-N 3.34Å; D78-T80 PolarHBondContact OD1-N 3.11Å; T80-E141 HydrophobicContact CG2-CB 4.47Å; T80-E141 HydrophobicContact CG2-CG 3.84Å
81A96.4Very high97.5Very high59 Ų5949.5 Ų49.549%0.48829%0.288SS..Hα-helixtrans-70.2-40.4174.500000111.4D78 L83 L84D78-A81 PolarHBondContact OD1-N 3.19Å; D78-A81 VanDerWaalsContact OD2-CB 3.26Å; D78-A81 WeakPolarHBondContact OD2-CB 3.17Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 2.95Å; A81-L84 PolarHBondContact O-N 3.49Å
82G96.6Very high97.4Very high21 Ų2151.4 Ų51.422%0.21630%0.295CS..Hα-helixtrans-65.4-30.3-176.100000114.7D78 L79D78-G82 WeakPolarHBondContact O-CA 3.46Å; D78-G82 PolarHBondContact O-N 3.09Å; L79-G82 PolarHBondContact O-N 3.07Å
83L97.7Very high97.3Very high2 Ų256.4 Ų56.41%0.0133%0.325CS..THydrogen-bonded Turntrans-108.816.8-176.5-58.1177.2000113.3E71 A72 L79 A81 S85 L86 S87 L135 A138 L139E71-L83 HydrophobicContact CG-CD2 4.34Å; A72-L83 HydrophobicContact CB-CD1 3.94Å; A72-L83 HydrophobicContact CB-CD2 4.18Å; L79-L83 HydrophobicContact CB-CD1 4.49Å; L79-L83 HydrophobicContact CD2-CD1 4.15Å; L79-L83 VanDerWaalsContact O-CB 3.29Å; L79-L83 WeakPolarHBondContact O-CB 3.42Å; L79-L83 WeakPolarHBondContact O-CG 3.48Å; L79-L83 PolarHBondContact O-N 2.78Å; A81-L83 VanDerWaalsContact C-N 3.33Å; A81-L83 PolarHBondContact O-N 2.95Å; L83-S85 PolarHBondContact O-N 3.4Å; L83-L86 HydrophobicContact CD2-CD1 4.37Å; L83-L86 PolarHBondContact O-N 3.12Å; L83-L86 VanDerWaalsContact O-N 3.11Å; L83-S87 PolarHBondContact O-N 3.14Å; L83-L135 HydrophobicContact CD1-CG 3.99Å; L83-A138 HydrophobicContact CB-CB 4.43Å; L83-A138 HydrophobicContact CD1-CB 4.08Å; L83-L139 HydrophobicContact CB-CD2 4.38Å
84L97.1Very high97.2Very high63 Ų6360 Ų6033%0.3334%0.344SS..Hα-helixtrans-54.2-49.4-175.2-168.666.6000112.4A81 L86 S87 E88 K142A81-L84 PolarHBondContact O-N 3.49Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 2.98Å; L84-S87 VanDerWaalsContact O-CB 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.48Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 VanDerWaalsContact O-N 3.1Å; L84-E88 WeakPolarHBondContact O-CG 3.48Å; L84-E88 PolarHBondContact O-N 3.19Å; L84-K142 HydrophobicContact CD1-CD 4.33Å; L84-K142 HydrophobicContact CD1-CG 4.25Å
85S96.8Very high97.1Very high91 Ų9165.5 Ų65.564%0.63635%0.348SS*.Hα-helixtrans-64-36.1179.8-50.30000112.6L83 L89L83-S85 PolarHBondContact O-N 3.4Å; S85-L89 WeakPolarHBondContact O-CB 3.4Å; S85-L89 PolarHBondContact O-N 2.96Å
86L96.8Very high97.1Very high40 Ų4061.3 Ų61.321%0.20933%0.331CS..Hα-helixtrans-69.2-36.9174-8088.6000111.2L83 L84 L89 H90 L139L83-L86 HydrophobicContact CD2-CD1 4.37Å; L83-L86 PolarHBondContact O-N 3.12Å; L83-L86 VanDerWaalsContact O-N 3.11Å; L84-L86 VanDerWaalsContact C-N 3.32Å; L84-L86 PolarHBondContact O-N 2.98Å; L86-L89 PolarHBondContact O-N 3.46Å; L86-H90 PolarHBondContact O-N 3.18Å; L86-H90 PolarHBondContact O-ND1 3.4Å; L86-L139 HydrophobicContact CB-CD2 3.53Å; L86-L139 HydrophobicContact CD2-CD2 4.4Å
87S97.9Very high97.1Very high0 Ų065.1 Ų65.10%035%0.351CS..Hα-helixtrans-60.5-48.7174.6-171.60000110.9L83 L84 L89 H90 A91 A138 L139 E141 K142L83-S87 PolarHBondContact O-N 3.14Å; L84-S87 VanDerWaalsContact O-CB 3.31Å; L84-S87 WeakPolarHBondContact O-CB 3.48Å; L84-S87 PolarHBondContact O-N 3.41Å; L84-S87 VanDerWaalsContact O-N 3.1Å; S87-L89 VanDerWaalsContact C-N 3.35Å; S87-L89 PolarHBondContact O-N 3.11Å; S87-H90 PolarHBondContact O-N 3.05Å; S87-A91 WeakPolarHBondContact O-CB 3.44Å; S87-A91 PolarHBondContact O-N 3.33Å; S87-A138 PolarHBondContact OG-O 3.33Å; S87-L139 WeakPolarHBondContact CA-O 3.31Å; S87-L139 WeakPolarHBondContact CB-O 3.39Å; S87-L139 PolarHBondContact OG-O 3.46Å; S87-E141 PolarHBondContact OG-N 2.68Å; S87-K142 WeakPolarHBondContact OG-CB 3.15Å; S87-K142 PolarHBondContact OG-N 3.45Å
88E97.9Very high97.1Very high78 Ų7862 Ų6236%0.36434%0.337SS..Hα-helixtrans-61.1-42.7177.6-67.7178.916500112.1L84 A91 F92 K142L84-E88 WeakPolarHBondContact O-CG 3.48Å; L84-E88 PolarHBondContact O-N 3.19Å; E88-A91 PolarHBondContact O-N 3.14Å; E88-F92 HydrophobicContact CB-CD2 4.09Å; E88-F92 HydrophobicContact CB-CE2 4.43Å; E88-F92 HydrophobicContact CG-CD2 4.36Å; E88-F92 HydrophobicContact CG-CE2 4.21Å; E88-F92 WeakPolarHBondContact O-CB 3.43Å; E88-F92 PolarHBondContact O-N 3.21Å; E88-K142 HydrophobicContact CG-CB 4.33Å; E88-K142 HydrophobicContact CG-CD 4.37Å; E88-K142 HydrophobicContact CG-CG 3.82Å
89L97.9Very high97Very high77 Ų7759.7 Ų59.740%0.40333%0.331SS..Iπ-helixtrans-58.5-50.3175.8176.466.5000111.5S85 L86 S87 T93 L94S85-L89 WeakPolarHBondContact O-CB 3.4Å; S85-L89 PolarHBondContact O-N 2.96Å; L86-L89 PolarHBondContact O-N 3.46Å; S87-L89 VanDerWaalsContact C-N 3.35Å; S87-L89 PolarHBondContact O-N 3.11Å; L89-T93 HydrophobicContact CD1-CG2 4.18Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 PolarHBondContact O-N 3.05Å; L89-L94 HydrophobicContact CD1-CD1 4.44Å; L89-L94 HydrophobicContact CD1-CG 4.19Å; L89-L94 HydrophobicContact CD2-CD1 4.36Å; L89-L94 HydrophobicContact CG-CD1 3.96Å; L89-L94 HydrophobicContact CG-CG 4.14Å; L89-L94 WeakPolarHBondContact O-CG 3.5Å; L89-L94 PolarHBondContact O-N 2.9Å
90H98.1Very high97.1Very high40 Ų4059.8 Ų59.819%0.18533%0.332CS..Iπ-helixtrans-69.8-35.9-178-73.382.1000112.5L86 S87 R95 V96 F101 Y143L86-H90 PolarHBondContact O-N 3.18Å; L86-H90 PolarHBondContact O-ND1 3.4Å; S87-H90 PolarHBondContact O-N 3.05Å; H90-R95 WeakPolarHBondContact O-CA 3.36Å; H90-R95 PolarHBondContact O-N 3.31Å; H90-V96 PolarHBondContact O-N 2.88Å; H90-F101 HydrophobicContact CB-CZ 3.97Å; H90-F101 AromaticContact CD2-CE1 3.72Å; H90-Y143 PolarHBondContact O-OH 3.37Å
91A97.1Very high97.2Very high12 Ų1258 Ų5810%0.09932%0.319CS..Iπ-helixtrans-75.6-52.9-178.100000112.8S87 E88 K142 Y143S87-A91 WeakPolarHBondContact O-CB 3.44Å; S87-A91 PolarHBondContact O-N 3.33Å; E88-A91 PolarHBondContact O-N 3.14Å; A91-K142 HydrophobicContact CB-CB 4.18Å; A91-Y143 HydrophobicContact CB-CD1 4.34Å; A91-Y143 HydrophobicContact CB-CD2 3.71Å; A91-Y143 HydrophobicContact CB-CE1 4.32Å; A91-Y143 HydrophobicContact CB-CE2 3.73Å; A91-Y143 HydrophobicContact CB-CG 4.07Å
92F96.2Very high97.2Very high122 Ų12262.2 Ų62.254%0.53533%0.326SS..Iπ-helixtrans-96.4-39.4-167.2-59.5-56.7000113.4E88 R95 K142E88-F92 HydrophobicContact CB-CD2 4.09Å; E88-F92 HydrophobicContact CB-CE2 4.43Å; E88-F92 HydrophobicContact CG-CD2 4.36Å; E88-F92 HydrophobicContact CG-CE2 4.21Å; E88-F92 WeakPolarHBondContact O-CB 3.43Å; E88-F92 PolarHBondContact O-N 3.21Å; F92-R95 PolarHBondContact O-NE 3.04Å; F92-K142 HydrophobicContact CE2-CB 3.96Å; F92-K142 HydrophobicContact CZ-CB 4.24Å; F92-K142 WeakPolarHBondContact CZ-O 3.33Å
93T95.9Very high97.3Very high104 Ų10462.1 Ų62.164%0.63832%0.32SS*.Iπ-helixtrans-89.4-55.2-176-54.40000111.4L89L89-T93 HydrophobicContact CD1-CG2 4.18Å; L89-T93 WeakPolarHBondContact O-CB 3.36Å; L89-T93 PolarHBondContact O-N 3.05Å
94L96.6Very high97.3Very high87 Ų8763.7 Ų63.746%0.45533%0.328SS..SBendtrans-84.4-23.9-176.3-54.9179.9000112.6L89 V96L89-L94 HydrophobicContact CD1-CD1 4.44Å; L89-L94 HydrophobicContact CD1-CG 4.19Å; L89-L94 HydrophobicContact CD2-CD1 4.36Å; L89-L94 HydrophobicContact CG-CD1 3.96Å; L89-L94 HydrophobicContact CG-CG 4.14Å; L89-L94 WeakPolarHBondContact O-CG 3.5Å; L89-L94 PolarHBondContact O-N 2.9Å; L94-V96 HydrophobicContact CB-CG2 3.84Å; L94-V96 PolarHBondContact O-N 2.64Å
95R96.4Very high97.4Very high194 Ų19461.2 Ų61.273%0.73232%0.317SS*.  trans49.343180-57.7-177.6177.3-167.3-2.3112.6H90 F92H90-R95 WeakPolarHBondContact O-CA 3.36Å; H90-R95 PolarHBondContact O-N 3.31Å; F92-R95 PolarHBondContact O-NE 3.04Å
96V97.9Very high97.5Very high17 Ų1761.1 Ų61.110%0.10331%0.307CS..  trans-72.3129.2179.4177.10000108.8Y44 H90 L94 P98 N100 Y143Y44-V96 HydrophobicContact CD1-CB 4.42Å; Y44-V96 HydrophobicContact CD1-CG2 3.98Å; Y44-V96 HydrophobicContact CE1-CB 4.29Å; Y44-V96 HydrophobicContact CE1-CG1 4.34Å; Y44-V96 HydrophobicContact CE1-CG2 4.33Å; Y44-V96 HydrophobicContact CE2-CG1 4.31Å; Y44-V96 HydrophobicContact CG-CG2 4.34Å; H90-V96 PolarHBondContact O-N 2.88Å; L94-V96 HydrophobicContact CB-CG2 3.84Å; L94-V96 PolarHBondContact O-N 2.64Å; V96-P98 WeakPolarHBondContact O-CD 3.33Å; V96-N100 HydrophobicContact CG1-CB 4.25Å; V96-Y143 WeakPolarHBondContact O-CE1 3.13Å; V96-Y143 PolarHBondContact O-OH 3.01Å
97D97.8Very high97.6Very high85 Ų8559.5 Ų59.546%0.45530%0.298SS..  trans-63.5125.5174.8179.2-27000109.2Y44 A99 N100Y44-D97 WeakPolarHBondContact OH-CB 3.43Å; Y44-D97 PolarHBondContact OH-N 3.48Å; D97-A99 PolarHBondContact O-N 3.28Å; D97-A99 VanDerWaalsContact OD1-CB 3.22Å; D97-A99 WeakPolarHBondContact OD1-CB 3.43Å; D97-A99 PolarHBondContact OD1-N 3.07Å; D97-N100 WeakPolarHBondContact O-CB 3.33Å; D97-N100 PolarHBondContact O-N 3.32Å; D97-N100 PolarHBondContact O-ND2 3.38Å
98P96.9Very high97.7Very high43 Ų4359.7 Ų59.728%0.27930%0.299SS..G310 helixtrans-53.5-25-179.3-27.635.6000114.6V96 N100 F101 Y143V96-P98 WeakPolarHBondContact O-CD 3.33Å; P98-N100 PolarHBondContact O-N 3.48Å; P98-N100 VanDerWaalsContact O-N 3.1Å; P98-F101 HydrophobicContact CB-CD2 4.16Å; P98-F101 HydrophobicContact CB-CE2 4.18Å; P98-F101 WeakPolarHBondContact O-CD2 3.42Å; P98-F101 PolarHBondContact O-N 2.9Å; P98-F101 VanDerWaalsContact O-N 3.12Å; P98-Y143 VanDerWaalsContact CD-CE1 3.43Å; P98-Y143 HydrophobicContact CG-CD1 3.35Å; P98-Y143 HydrophobicContact CG-CD2 4.05Å; P98-Y143 HydrophobicContact CG-CE1 3.41Å; P98-Y143 VanDerWaalsContact CG-CE1 3.41Å; P98-Y143 HydrophobicContact CG-CE2 4.08Å; P98-Y143 HydrophobicContact CG-CG 3.66Å
99A96.3Very high97.7Very high44 Ų4456.5 Ų56.536%0.36428%0.284SS..G310 helixtrans-60.2-18.2175.700000113.3D97 K102D97-A99 PolarHBondContact O-N 3.28Å; D97-A99 VanDerWaalsContact OD1-CB 3.22Å; D97-A99 WeakPolarHBondContact OD1-CB 3.43Å; D97-A99 PolarHBondContact OD1-N 3.07Å; A99-K102 VanDerWaalsContact O-CE 3.26Å; A99-K102 WeakPolarHBondContact O-CE 3.36Å; A99-K102 WeakPolarHBondContact O-CG 3.32Å
100N98.1Very high97.7Very high18 Ų1854.9 Ų54.910%0.09628%0.278CS..G310 helixtrans-81.5-20177.5-63.5-73.2000113.6Y44 V96 D97 P98 K102 I103 L104Y44-N100 VanDerWaalsContact CE2-ND2 3.33Å; Y44-N100 WeakPolarHBondContact CE2-ND2 3.33Å; Y44-N100 PolarHBondContact OH-ND2 2.88Å; Y44-N100 VanDerWaalsContact OH-ND2 3.11Å; V96-N100 HydrophobicContact CG1-CB 4.25Å; D97-N100 WeakPolarHBondContact O-CB 3.33Å; D97-N100 PolarHBondContact O-N 3.32Å; D97-N100 PolarHBondContact O-ND2 3.38Å; P98-N100 PolarHBondContact O-N 3.48Å; P98-N100 VanDerWaalsContact O-N 3.1Å; N100-K102 VanDerWaalsContact C-N 3.32Å; N100-K102 PolarHBondContact O-N 3.4Å; N100-I103 WeakPolarHBondContact O-CB 3.32Å; N100-I103 PolarHBondContact O-N 3.2Å; N100-L104 PolarHBondContact O-N 3Å
101F98.3Very high97.8Very high21 Ų2153 Ų539%0.09227%0.269CS..Hα-helixtrans-62.4-39.6-179.6-64.4-48.8000112.3H90 P98 I103 L104 A105 A136 L139 Y143H90-F101 HydrophobicContact CB-CZ 3.97Å; H90-F101 AromaticContact CD2-CE1 3.72Å; P98-F101 HydrophobicContact CB-CD2 4.16Å; P98-F101 HydrophobicContact CB-CE2 4.18Å; P98-F101 WeakPolarHBondContact O-CD2 3.42Å; P98-F101 PolarHBondContact O-N 2.9Å; P98-F101 VanDerWaalsContact O-N 3.12Å; F101-I103 PolarHBondContact O-N 2.89Å; F101-L104 PolarHBondContact O-N 3.07Å; F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.11Å; F101-A136 HydrophobicContact CB-CB 3.64Å; F101-A136 HydrophobicContact CG-CB 4.41Å; F101-L139 HydrophobicContact CD1-CD1 3.99Å; F101-L139 HydrophobicContact CD2-CB 4.33Å; F101-L139 HydrophobicContact CE1-CB 4.26Å; F101-L139 HydrophobicContact CE1-CD1 3.77Å; F101-L139 HydrophobicContact CE2-CB 3.82Å; F101-L139 HydrophobicContact CZ-CB 3.79Å; F101-L139 HydrophobicContact CZ-CD1 4.16Å; F101-Y143 HydrophobicContact CE2-CE2 4.15Å; F101-Y143 HydrophobicContact CZ-CE2 4.39Å; F101-Y143 WeakPolarHBondContact CZ-OH 3.44Å
102K97.1Very high97.8Very high148 Ų14852.6 Ų52.664%0.64327%0.265SS*.Hα-helixtrans-64.5-28.4174.559172.6-178.3-177.20113A99 N100 H106A99-K102 VanDerWaalsContact O-CE 3.26Å; A99-K102 WeakPolarHBondContact O-CE 3.36Å; A99-K102 WeakPolarHBondContact O-CG 3.32Å; N100-K102 VanDerWaalsContact C-N 3.32Å; N100-K102 PolarHBondContact O-N 3.4Å; K102-H106 WeakPolarHBondContact O-CB 3.4Å; K102-H106 PolarHBondContact O-N 3.19Å
103I98.6Very high98Very high19 Ų1948.9 Ų48.910%0.09726%0.257CS..Hα-helixtrans-69.4-48.9178.3-57.7-179.7000109M34 Y38 T41 N100 F101 H106 N107M34-I103 HydrophobicContact CG-CG2 3.97Å; Y38-I103 HydrophobicContact CD1-CD1 4.27Å; Y38-I103 HydrophobicContact CD1-CG2 3.64Å; Y38-I103 HydrophobicContact CD2-CG2 3.42Å; Y38-I103 VanDerWaalsContact CD2-CG2 3.42Å; Y38-I103 HydrophobicContact CE1-CG2 4.07Å; Y38-I103 HydrophobicContact CE2-CG2 3.89Å; Y38-I103 HydrophobicContact CG-CG2 3.27Å; T41-I103 HydrophobicContact CG2-CD1 4.21Å; T41-I103 HydrophobicContact CG2-CG2 4.31Å; N100-I103 WeakPolarHBondContact O-CB 3.32Å; N100-I103 PolarHBondContact O-N 3.2Å; F101-I103 PolarHBondContact O-N 2.89Å; I103-H106 PolarHBondContact O-N 3Å; I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 VanDerWaalsContact O-N 3.14Å; I103-N107 PolarHBondContact O-ND2 3.33Å
104L98.6Very high98.1Very high34 Ų3448.2 Ų48.218%0.17825%0.249CC..Hα-helixtrans-63.2-44.3176.2-178.257.4000111.4M34 V65 N100 F101 H106 N107 I108M34-L104 HydrophobicContact SD-CB 3.81Å; M34-L104 HydrophobicContact SD-CD1 3.93Å; M34-L104 HydrophobicContact SD-CG 4.36Å; V65-L104 HydrophobicContact CG1-CD2 3.87Å; V65-L104 HydrophobicContact CG2-CD2 4.46Å; N100-L104 PolarHBondContact O-N 3Å; F101-L104 PolarHBondContact O-N 3.07Å; L104-H106 VanDerWaalsContact C-N 3.31Å; L104-H106 PolarHBondContact O-N 3.06Å; L104-N107 PolarHBondContact O-N 3.47Å; L104-N107 VanDerWaalsContact O-N 3.12Å; L104-I108 HydrophobicContact CD1-CD1 4.45Å; L104-I108 HydrophobicContact CD1-CG1 4.47Å; L104-I108 HydrophobicContact CG-CD1 4.12Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.35Å
105A98.6Very high98.1Very high12 Ų1247.8 Ų47.810%0.09924%0.243CC..Hα-helixtrans-54.5-47176.200000111.9F101 N107 I108 L109 L132F101-A105 WeakPolarHBondContact O-CB 3.44Å; F101-A105 PolarHBondContact O-N 3.11Å; A105-N107 PolarHBondContact O-N 3.25Å; A105-I108 WeakPolarHBondContact O-CB 3.48Å; A105-I108 PolarHBondContact O-N 2.9Å; A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 2.8Å; A105-L132 HydrophobicContact CB-CB 3.87Å; A105-L132 HydrophobicContact CB-CD1 4.11Å
106H98.8Very high98.2Very high89 Ų8939.1 Ų39.141%0.41221%0.211SC..Hα-helixtrans-59.5-44.8176.317670.1000112.6Y38 K102 I103 L104 I108 L109 V110Y38-H106 PolarHBondContact OH-CD2 2.91Å; K102-H106 WeakPolarHBondContact O-CB 3.4Å; K102-H106 PolarHBondContact O-N 3.19Å; I103-H106 PolarHBondContact O-N 3Å; L104-H106 VanDerWaalsContact C-N 3.31Å; L104-H106 PolarHBondContact O-N 3.06Å; H106-I108 VanDerWaalsContact C-N 3.3Å; H106-I108 PolarHBondContact O-N 2.98Å; H106-L109 WeakPolarHBondContact O-CB 3.49Å; H106-L109 PolarHBondContact O-N 2.89Å; H106-V110 WeakPolarHBondContact O-CG2 3.37Å; H106-V110 PolarHBondContact O-N 3.3Å
107N98.8Very high98.2Very high5 Ų542.7 Ų42.73%0.02723%0.234CC..Hα-helixtrans-65.6-32.5178.3-74.1-80.6000112.4A30 R33 Y38 I103 L104 A105 V110 V111A30-N107 HydrophobicContact CB-CB 4.45Å; R33-N107 HydrophobicContact CB-CB 4.4Å; R33-N107 VanDerWaalsContact CB-OD1 3.23Å; R33-N107 WeakPolarHBondContact CB-OD1 3.48Å; Y38-N107 WeakPolarHBondContact CE2-ND2 3.42Å; I103-N107 PolarHBondContact O-N 3.02Å; I103-N107 VanDerWaalsContact O-N 3.14Å; I103-N107 PolarHBondContact O-ND2 3.33Å; L104-N107 PolarHBondContact O-N 3.47Å; L104-N107 VanDerWaalsContact O-N 3.12Å; A105-N107 PolarHBondContact O-N 3.25Å; N107-V110 PolarHBondContact O-N 3.45Å; N107-V111 WeakPolarHBondContact O-CG2 3.49Å; N107-V111 PolarHBondContact O-N 3.22Å; N107-V111 VanDerWaalsContact O-N 3.11Å
108I98.8Very high98.2Very high4 Ų443.8 Ų43.82%0.02125%0.248CC..Hα-helixtrans-63.5-46.8171.4-69.1168.6000110.6A30 M66 V69 L104 A105 H106 V110 V111 F112 L132A30-I108 HydrophobicContact CB-CG1 3.82Å; M66-I108 HydrophobicContact SD-CD1 4.28Å; M66-I108 HydrophobicContact SD-CG1 4.48Å; V69-I108 HydrophobicContact CG2-CD1 4.38Å; L104-I108 HydrophobicContact CD1-CD1 4.45Å; L104-I108 HydrophobicContact CD1-CG1 4.47Å; L104-I108 HydrophobicContact CG-CD1 4.12Å; L104-I108 WeakPolarHBondContact O-CG1 3.38Å; L104-I108 PolarHBondContact O-N 3.35Å; A105-I108 WeakPolarHBondContact O-CB 3.48Å; A105-I108 PolarHBondContact O-N 2.9Å; H106-I108 VanDerWaalsContact C-N 3.3Å; H106-I108 PolarHBondContact O-N 2.98Å; I108-V110 VanDerWaalsContact C-N 3.33Å; I108-V110 PolarHBondContact O-N 3.2Å; I108-V111 PolarHBondContact O-N 3.35Å; I108-F112 HydrophobicContact CG2-CD2 3.83Å; I108-F112 HydrophobicContact CG2-CE1 4.09Å; I108-F112 HydrophobicContact CG2-CE2 3.3Å; I108-F112 HydrophobicContact CG2-CG 4.42Å; I108-F112 HydrophobicContact CG2-CZ 3.45Å; I108-F112 VanDerWaalsContact CG2-CZ 3.45Å; I108-F112 WeakPolarHBondContact O-CG 3.48Å; I108-F112 PolarHBondContact O-N 2.94Å; I108-L132 HydrophobicContact CB-CD1 4.36Å; I108-L132 HydrophobicContact CG2-CD1 4.11Å
109L98.8Very high98.3Very high11 Ų1144.4 Ų44.46%0.05825%0.249CC..Hα-helixtrans-59.7-42.2177.3-63.5169.6000111.8A105 H106 V111 F112 A113 F120 V128 D129 L132A105-L109 WeakPolarHBondContact O-CG 3.29Å; A105-L109 PolarHBondContact O-N 2.8Å; H106-L109 WeakPolarHBondContact O-CB 3.49Å; H106-L109 PolarHBondContact O-N 2.89Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.2Å; L109-F112 PolarHBondContact O-N 2.84Å; L109-A113 PolarHBondContact O-N 3.32Å; L109-F120 HydrophobicContact CB-CZ 4.42Å; L109-F120 HydrophobicContact CD2-CE2 4.42Å; L109-F120 HydrophobicContact CD2-CZ 3.76Å; L109-V128 HydrophobicContact CD2-CB 4.26Å; L109-V128 HydrophobicContact CD2-CG1 3.69Å; L109-D129 HydrophobicContact CD1-CB 4.17Å; L109-D129 WeakPolarHBondContact CD1-OD1 3.31Å; L109-D129 HydrophobicContact CD2-CB 4.47Å; L109-L132 HydrophobicContact CD2-CD1 3.85Å; L109-L132 HydrophobicContact CG-CD1 3.93Å
110V98.8Very high98.4Very high43 Ų4343.3 Ų43.326%0.26124%0.236SC..Hα-helixtrans-58.8-46175.21690000111.1H106 N107 I108 A113 I114H106-V110 WeakPolarHBondContact O-CG2 3.37Å; H106-V110 PolarHBondContact O-N 3.3Å; N107-V110 PolarHBondContact O-N 3.45Å; I108-V110 VanDerWaalsContact C-N 3.33Å; I108-V110 PolarHBondContact O-N 3.2Å; V110-A113 PolarHBondContact O-N 3.36Å; V110-I114 HydrophobicContact CG1-CD1 3.84Å; V110-I114 VanDerWaalsContact O-CG1 3.32Å; V110-I114 WeakPolarHBondContact O-CG1 3.4Å; V110-I114 PolarHBondContact O-N 3.33Å
111V98.8Very high98.4Very high0 Ų044.8 Ų44.80%025%0.246CC..Hα-helixtrans-68-37.3179.7175.10000111.6I26 D29 A30 N107 I108 L109 I114 K115I26-V111 HydrophobicContact CB-CG1 4.2Å; I26-V111 HydrophobicContact CG1-CG1 4.17Å; I26-V111 HydrophobicContact CG2-CG1 3.83Å; D29-V111 HydrophobicContact CB-CG1 4.08Å; D29-V111 HydrophobicContact CB-CG2 3.94Å; A30-V111 HydrophobicContact CB-CG2 4.09Å; N107-V111 WeakPolarHBondContact O-CG2 3.49Å; N107-V111 PolarHBondContact O-N 3.22Å; N107-V111 VanDerWaalsContact O-N 3.11Å; I108-V111 PolarHBondContact O-N 3.35Å; L109-V111 VanDerWaalsContact C-N 3.34Å; L109-V111 PolarHBondContact O-N 3.2Å; V111-I114 PolarHBondContact O-N 3.03Å; V111-K115 HydrophobicContact CG1-CD 3.71Å; V111-K115 HydrophobicContact CG1-CG 4.28Å; V111-K115 WeakPolarHBondContact O-CB 3.27Å; V111-K115 PolarHBondContact O-N 3.21Å
112F98.7Very high98.5Very high5 Ų548.3 Ų48.32%0.02227%0.271CS..Hα-helixtrans-60.1-46172.4-69.7-23.7000111.9F15 V19 I26 M66 I108 L109 I114 K115 F116 F120 V128F15-F112 HydrophobicContact CE1-CB 4.16Å; F15-F112 HydrophobicContact CE1-CD1 4.13Å; F15-F112 AromaticContact CE1-CD2 3.75Å; F15-F112 HydrophobicContact CE1-CD2 3.75Å; F15-F112 HydrophobicContact CE1-CE1 4.43Å; F15-F112 HydrophobicContact CE1-CE2 4.08Å; F15-F112 AromaticContact CE1-CG 3.78Å; F15-F112 HydrophobicContact CE1-CG 3.78Å; F15-F112 HydrophobicContact CE1-CZ 4.41Å; F15-F112 HydrophobicContact CZ-CB 4.04Å; F15-F112 HydrophobicContact CZ-CD1 4.41Å; F15-F112 HydrophobicContact CZ-CD2 4.48Å; F15-F112 HydrophobicContact CZ-CG 4.1Å; V19-F112 HydrophobicContact CB-CE1 4.33Å; V19-F112 HydrophobicContact CG1-CE1 3.6Å; V19-F112 HydrophobicContact CG1-CZ 4.06Å; V19-F112 HydrophobicContact CG2-CD1 4.04Å; V19-F112 HydrophobicContact CG2-CE1 3.71Å; V19-F112 HydrophobicContact CG2-CZ 4.26Å; I26-F112 HydrophobicContact CD1-CD1 4.48Å; I26-F112 HydrophobicContact CD1-CE1 4.23Å; I26-F112 HydrophobicContact CG2-CD1 4.17Å; I26-F112 HydrophobicContact CG2-CE1 3.77Å; M66-F112 HydrophobicContact CE-CE1 4.28Å; M66-F112 HydrophobicContact CE-CZ 4.21Å; I108-F112 HydrophobicContact CG2-CD2 3.83Å; I108-F112 HydrophobicContact CG2-CE1 4.09Å; I108-F112 HydrophobicContact CG2-CE2 3.3Å; I108-F112 HydrophobicContact CG2-CG 4.42Å; I108-F112 HydrophobicContact CG2-CZ 3.45Å; I108-F112 VanDerWaalsContact CG2-CZ 3.45Å; I108-F112 WeakPolarHBondContact O-CG 3.48Å; I108-F112 PolarHBondContact O-N 2.94Å; L109-F112 PolarHBondContact O-N 2.84Å; F112-I114 VanDerWaalsContact C-N 3.32Å; F112-I114 PolarHBondContact O-N 3.35Å; F112-K115 PolarHBondContact O-N 2.96Å; F112-F116 WeakPolarHBondContact O-CA 3.48Å; F112-F116 WeakPolarHBondContact O-CB 3.33Å; F112-F116 PolarHBondContact O-N 3.49Å; F112-F120 HydrophobicContact CB-CD2 3.84Å; F112-F120 HydrophobicContact CB-CE2 3.83Å; F112-F120 HydrophobicContact CB-CG 4.2Å; F112-F120 HydrophobicContact CB-CZ 4.17Å; F112-F120 HydrophobicContact CD2-CE2 4.08Å; F112-F120 HydrophobicContact CG-CE2 4.43Å; F112-V128 HydrophobicContact CD2-CG1 4.03Å; F112-V128 HydrophobicContact CE2-CG1 3.83Å
113A98.6Very high98.5Very high44 Ų4447 Ų4736%0.36427%0.267SS..Hα-helixtrans-61.4-38.5176.800000112.7L109 V110 P117 F120L109-A113 PolarHBondContact O-N 3.32Å; V110-A113 PolarHBondContact O-N 3.36Å; A113-P117 WeakPolarHBondContact O-CA 3.34Å; A113-F120 HydrophobicContact CB-CD1 3.75Å; A113-F120 HydrophobicContact CB-CE1 4.14Å
114I98.4Very high98.5Very high90 Ų9047.1 Ų47.146%0.46227%0.269SS..Hα-helixtrans-70.7-44.5178.7-69.1167.7000111.8R33 V110 V111 F112R33-I114 VanDerWaalsContact NH2-CD1 3.31Å; V110-I114 HydrophobicContact CG1-CD1 3.84Å; V110-I114 VanDerWaalsContact O-CG1 3.32Å; V110-I114 WeakPolarHBondContact O-CG1 3.4Å; V110-I114 PolarHBondContact O-N 3.33Å; V111-I114 PolarHBondContact O-N 3.03Å; F112-I114 VanDerWaalsContact C-N 3.32Å; F112-I114 PolarHBondContact O-N 3.35Å
115K98Very high98.5Very high78 Ų7849.3 Ų49.334%0.33928%0.278SS..Hα-helixtrans-87.8-20.8-171.9-71.1-179.7-177.8-76.30113.8I26 V111 F112 P117I26-K115 HydrophobicContact CG1-CD 3.67Å; V111-K115 HydrophobicContact CG1-CD 3.71Å; V111-K115 HydrophobicContact CG1-CG 4.28Å; V111-K115 WeakPolarHBondContact O-CB 3.27Å; V111-K115 PolarHBondContact O-N 3.21Å; F112-K115 PolarHBondContact O-N 2.96Å; K115-P117 VanDerWaalsContact C-CD 3.49Å
116F98.2Very high98.5Very high12 Ų1252.7 Ų52.75%0.05330%0.297CS..  trans-134.351.1-177.7-56.2-88.6000111.8F15 K18 V19 K22 I26 F112 S118 D119 F120F15-F116 HydrophobicContact CE2-CB 4.05Å; F15-F116 HydrophobicContact CE2-CG 4.31Å; F15-F116 HydrophobicContact CZ-CB 4.19Å; F15-F116 HydrophobicContact CZ-CD2 4.25Å; F15-F116 HydrophobicContact CZ-CG 4.3Å; K18-F116 HydrophobicContact CB-CE1 4.36Å; K18-F116 WeakPolarHBondContact O-CE1 3.37Å; V19-F116 HydrophobicContact CG2-CD2 4.38Å; V19-F116 HydrophobicContact CG2-CE2 3.91Å; V19-F116 HydrophobicContact CG2-CZ 4.11Å; K22-F116 HydrophobicContact CD-CE1 4.49Å; K22-F116 HydrophobicContact CD-CZ 4.04Å; I26-F116 HydrophobicContact CD1-CE2 3.67Å; I26-F116 HydrophobicContact CD1-CZ 4.13Å; F112-F116 WeakPolarHBondContact O-CA 3.48Å; F112-F116 WeakPolarHBondContact O-CB 3.33Å; F112-F116 PolarHBondContact O-N 3.49Å; F116-S118 PolarHBondContact O-N 2.76Å; F116-S118 VanDerWaalsContact O-N 3.14Å; F116-D119 HydrophobicContact CB-CB 4.17Å; F116-D119 PolarHBondContact O-N 3.44Å; F116-F120 VanDerWaalsContact O-CB 3.22Å; F116-F120 WeakPolarHBondContact O-CB 3.34Å; F116-F120 PolarHBondContact O-N 3.32Å
117P97.8Very high98.5Very high92 Ų9248.6 Ų48.660%0.59728%0.278SS*.THydrogen-bonded Turntrans-59.7-33-170.824.9-35.3000113.4A113 K115A113-P117 WeakPolarHBondContact O-CA 3.34Å; K115-P117 VanDerWaalsContact C-CD 3.49Å
118S98.2Very high98.5Very high107 Ų10748.6 Ų48.675%0.74828%0.279SS*.THydrogen-bonded Turntrans-80.4-27.9178.1-51.20000113.5F116F116-S118 PolarHBondContact O-N 2.76Å; F116-S118 VanDerWaalsContact O-N 3.14Å
119D98.3Very high98.5Very high56 Ų5651.9 Ų51.930%0.29930%0.296SS..THydrogen-bonded Turntrans-93.6-23.4-179-57.9-71.8000112.6F15 K18 F116 T121 V124F15-D119 HydrophobicContact CD2-CB 4.38Å; F15-D119 HydrophobicContact CE2-CB 4.06Å; K18-D119 HydrophobicContact CD-CB 4.23Å; K18-D119 IonicContact NZ-OD1 3.43Å; K18-D119 PolarHBondContact NZ-OD1 2.93Å; F116-D119 HydrophobicContact CB-CB 4.17Å; F116-D119 PolarHBondContact O-N 3.44Å; D119-T121 PolarHBondContact O-N 3.44Å; D119-T121 VanDerWaalsContact O-N 3.08Å; D119-V124 WeakPolarHBondContact O-CG2 3.23Å
120F98.6Very high98.5Very high21 Ų2153.5 Ų53.59%0.09230%0.303CS..  trans-88.160.5-179-161.5-111.6000110.8F15 L109 F112 A113 F116 V124 H125 V128F15-F120 AromaticContact CE1-CD2 3.85Å; F15-F120 HydrophobicContact CE1-CD2 3.85Å; F15-F120 HydrophobicContact CE1-CE2 4.17Å; F15-F120 HydrophobicContact CE2-CB 4.39Å; F15-F120 HydrophobicContact CE2-CD2 4.08Å; F15-F120 HydrophobicContact CZ-CB 4.37Å; F15-F120 AromaticContact CZ-CD2 3.55Å; F15-F120 HydrophobicContact CZ-CD2 3.55Å; F15-F120 HydrophobicContact CZ-CE2 4.31Å; F15-F120 HydrophobicContact CZ-CG 4.38Å; L109-F120 HydrophobicContact CB-CZ 4.42Å; L109-F120 HydrophobicContact CD2-CE2 4.42Å; L109-F120 HydrophobicContact CD2-CZ 3.76Å; F112-F120 HydrophobicContact CB-CD2 3.84Å; F112-F120 HydrophobicContact CB-CE2 3.83Å; F112-F120 HydrophobicContact CB-CG 4.2Å; F112-F120 HydrophobicContact CB-CZ 4.17Å; F112-F120 HydrophobicContact CD2-CE2 4.08Å; F112-F120 HydrophobicContact CG-CE2 4.43Å; A113-F120 HydrophobicContact CB-CD1 3.75Å; A113-F120 HydrophobicContact CB-CE1 4.14Å; F116-F120 VanDerWaalsContact O-CB 3.22Å; F116-F120 WeakPolarHBondContact O-CB 3.34Å; F116-F120 PolarHBondContact O-N 3.32Å; F120-V124 HydrophobicContact CD2-CG1 3.78Å; F120-V124 HydrophobicContact CE2-CG1 4.18Å; F120-H125 HydrophobicContact CD1-CB 4.39Å; F120-H125 HydrophobicContact CE1-CB 3.79Å; F120-H125 AromaticContact CE1-CD2 3.97Å; F120-H125 AromaticContact CE1-CG 3.72Å; F120-H125 HydrophobicContact CE2-CB 4.37Å; F120-H125 HydrophobicContact CZ-CB 3.78Å; F120-H125 AromaticContact CZ-CD2 3.74Å; F120-H125 AromaticContact CZ-CG 3.81Å; F120-V128 HydrophobicContact CE2-CB 4.31Å; F120-V128 HydrophobicContact CE2-CG1 4.49Å; F120-V128 HydrophobicContact CE2-CG2 4.4Å
121T98.7Very high98.5Very high50 Ų5051.7 Ų51.731%0.30729%0.291SS..  trans-66.1166.3178.379.50000111.3D119 E123 V124 H125D119-T121 PolarHBondContact O-N 3.44Å; D119-T121 VanDerWaalsContact O-N 3.08Å; T121-E123 WeakPolarHBondContact CB-OE2 3.31Å; T121-E123 PolarHBondContact O-N 2.97Å; T121-E123 PolarHBondContact OG1-N 2.89Å; T121-E123 PolarHBondContact OG1-OE2 3.27Å; T121-V124 PolarHBondContact O-N 2.92Å; T121-V124 VanDerWaalsContact O-N 3.13Å; T121-V124 PolarHBondContact OG1-N 3.41Å; T121-H125 WeakPolarHBondContact O-CB 3.48Å; T121-H125 PolarHBondContact O-N 3.37Å
122P98.6Very high98.5Very high95 Ų9552 Ų5262%0.61729%0.293SS*.Hα-helixtrans-53.6-37.1174.4-28.137.2000113.8H125 V126P122-H125 PolarHBondContact O-N 2.87Å; P122-V126 WeakPolarHBondContact O-CG2 3.23Å; P122-V126 PolarHBondContact O-N 3.47Å
123E98.1Very high98.5Very high121 Ų12154.1 Ų54.157%0.56531%0.311SS*.Hα-helixtrans-67.6-43.7177.9-59.373.6-160.900111.8T121 H125 V126 A127T121-E123 WeakPolarHBondContact CB-OE2 3.31Å; T121-E123 PolarHBondContact O-N 2.97Å; T121-E123 PolarHBondContact OG1-N 2.89Å; T121-E123 PolarHBondContact OG1-OE2 3.27Å; E123-H125 VanDerWaalsContact C-N 3.34Å; E123-V126 PolarHBondContact O-N 3.36Å; E123-A127 PolarHBondContact O-N 2.88Å; E123-A127 VanDerWaalsContact O-N 3.12Å
124V98.8Very high98.4Very high20 Ų2052.8 Ų52.812%0.12130%0.301CS..Hα-helixtrans-63.8-43.7174.8174.20000110.1T11 F15 D119 F120 T121 V126 A127 V128T11-V124 HydrophobicContact CG2-CB 4.34Å; T11-V124 HydrophobicContact CG2-CG2 3.89Å; F15-V124 HydrophobicContact CB-CG1 3.89Å; F15-V124 HydrophobicContact CD1-CG1 3.94Å; F15-V124 HydrophobicContact CD2-CG1 3.63Å; F15-V124 HydrophobicContact CE1-CG1 4.41Å; F15-V124 HydrophobicContact CE2-CG1 4.14Å; F15-V124 HydrophobicContact CG-CG1 3.53Å; D119-V124 WeakPolarHBondContact O-CG2 3.23Å; F120-V124 HydrophobicContact CD2-CG1 3.78Å; F120-V124 HydrophobicContact CE2-CG1 4.18Å; T121-V124 PolarHBondContact O-N 2.92Å; T121-V124 VanDerWaalsContact O-N 3.13Å; T121-V124 PolarHBondContact OG1-N 3.41Å; V124-V126 PolarHBondContact O-N 2.85Å; V124-A127 PolarHBondContact O-N 3.21Å; V124-V128 HydrophobicContact CG1-CG2 4.03Å; V124-V128 WeakPolarHBondContact O-CB 3.43Å; V124-V128 VanDerWaalsContact O-CG2 3.25Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 3.28Å
125H98.8Very high98.4Very high81 Ų8149.6 Ų49.638%0.37528%0.284SS..Hα-helixtrans-57.7-50.2177.2-177-174.8000111.2F120 T121 P122 E123 A127 V128 D129F120-H125 HydrophobicContact CD1-CB 4.39Å; F120-H125 HydrophobicContact CE1-CB 3.79Å; F120-H125 AromaticContact CE1-CD2 3.97Å; F120-H125 AromaticContact CE1-CG 3.72Å; F120-H125 HydrophobicContact CE2-CB 4.37Å; F120-H125 HydrophobicContact CZ-CB 3.78Å; F120-H125 AromaticContact CZ-CD2 3.74Å; F120-H125 AromaticContact CZ-CG 3.81Å; T121-H125 WeakPolarHBondContact O-CB 3.48Å; T121-H125 PolarHBondContact O-N 3.37Å; P122-H125 PolarHBondContact O-N 2.87Å; E123-H125 VanDerWaalsContact C-N 3.34Å; H125-A127 VanDerWaalsContact C-N 3.33Å; H125-A127 PolarHBondContact O-N 3.49Å; H125-V128 PolarHBondContact O-N 3.43Å; H125-D129 VanDerWaalsContact O-CB 3.28Å; H125-D129 WeakPolarHBondContact O-CB 3.47Å; H125-D129 PolarHBondContact O-N 3.09Å
126V98.5Very high98.4Very high83 Ų8346.6 Ų46.650%0.50327%0.274SS..Hα-helixtrans-58.5-44.3178.2169.10000111.8P122 E123 V124 K130P122-V126 WeakPolarHBondContact O-CG2 3.23Å; P122-V126 PolarHBondContact O-N 3.47Å; E123-V126 PolarHBondContact O-N 3.36Å; V124-V126 PolarHBondContact O-N 2.85Å; V126-K130 HydrophobicContact CG1-CD 3.9Å; V126-K130 WeakPolarHBondContact O-CB 3.33Å; V126-K130 WeakPolarHBondContact O-CD 3.42Å; V126-K130 VanDerWaalsContact O-CG 3.25Å; V126-K130 WeakPolarHBondContact O-CG 3.28Å; V126-K130 PolarHBondContact O-N 3.07Å; V126-K130 VanDerWaalsContact O-N 3.08Å
127A98.7Very high98.4Very high2 Ų251.3 Ų51.32%0.01729%0.292CS..Hα-helixtrans-65.1-44.2179.500000112.2D8 T11 V12 E123 V124 H125 F131D8-A127 HydrophobicContact CB-CB 4.26Å; T11-A127 HydrophobicContact CG2-CB 3.71Å; V12-A127 HydrophobicContact CG2-CB 4.2Å; E123-A127 PolarHBondContact O-N 2.88Å; E123-A127 VanDerWaalsContact O-N 3.12Å; V124-A127 PolarHBondContact O-N 3.21Å; H125-A127 VanDerWaalsContact C-N 3.33Å; H125-A127 PolarHBondContact O-N 3.49Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.2Å
128V98.8Very high98.4Very high5 Ų547 Ų473%0.0326%0.264CS..Hα-helixtrans-70.3-40.8-179.71760000111.6V12 F15 L109 F112 F120 V124 H125 F131 L132V12-V128 HydrophobicContact CG2-CG2 4.28Å; F15-V128 HydrophobicContact CD1-CG2 3.88Å; F15-V128 HydrophobicContact CE1-CG2 4.46Å; L109-V128 HydrophobicContact CD2-CB 4.26Å; L109-V128 HydrophobicContact CD2-CG1 3.69Å; F112-V128 HydrophobicContact CD2-CG1 4.03Å; F112-V128 HydrophobicContact CE2-CG1 3.83Å; F120-V128 HydrophobicContact CE2-CB 4.31Å; F120-V128 HydrophobicContact CE2-CG1 4.49Å; F120-V128 HydrophobicContact CE2-CG2 4.4Å; V124-V128 HydrophobicContact CG1-CG2 4.03Å; V124-V128 WeakPolarHBondContact O-CB 3.43Å; V124-V128 VanDerWaalsContact O-CG2 3.25Å; V124-V128 WeakPolarHBondContact O-CG2 3.38Å; V124-V128 PolarHBondContact O-N 3.28Å; H125-V128 PolarHBondContact O-N 3.43Å; V128-F131 WeakPolarHBondContact O-CB 3.45Å; V128-F131 PolarHBondContact O-N 3.29Å; V128-F131 VanDerWaalsContact O-N 3.17Å; V128-L132 HydrophobicContact CG1-CD1 4.07Å; V128-L132 HydrophobicContact CG1-CG 4.31Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3.09Å
129D98.7Very high98.4Very high74 Ų7442.5 Ų42.540%0.39623%0.231SC..Hα-helixtrans-61.5-46.5175.6-179.558000111.1L109 H125 F131 L132 A133L109-D129 HydrophobicContact CD1-CB 4.17Å; L109-D129 WeakPolarHBondContact CD1-OD1 3.31Å; L109-D129 HydrophobicContact CD2-CB 4.47Å; H125-D129 VanDerWaalsContact O-CB 3.28Å; H125-D129 WeakPolarHBondContact O-CB 3.47Å; H125-D129 PolarHBondContact O-N 3.09Å; D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 2.99Å; D129-L132 PolarHBondContact O-N 3.06Å; D129-A133 WeakPolarHBondContact O-CB 2.84Å; D129-A133 PolarHBondContact O-N 2.96Å
130K98.6Very high98.3Very high45 Ų4541.6 Ų41.620%0.19623%0.229CC..Hα-helixtrans-58.6-39.4173.3-74.2168.364.4-173.60112.2M2 L4 D8 V126 A134M2-K130 HydrophobicContact SD-CG 4.37Å; L4-K130 HydrophobicContact CD2-CB 3.79Å; D8-K130 IonicContact OD1-NZ 2.9Å; D8-K130 PolarHBondContact OD1-NZ 3.03Å; D8-K130 WeakPolarHBondContact OD2-CE 3.37Å; D8-K130 IonicContact OD2-NZ 2.63Å; D8-K130 PolarHBondContact OD2-NZ 3.39Å; V126-K130 HydrophobicContact CG1-CD 3.9Å; V126-K130 WeakPolarHBondContact O-CB 3.33Å; V126-K130 WeakPolarHBondContact O-CD 3.42Å; V126-K130 VanDerWaalsContact O-CG 3.25Å; V126-K130 WeakPolarHBondContact O-CG 3.28Å; V126-K130 PolarHBondContact O-N 3.07Å; V126-K130 VanDerWaalsContact O-N 3.08Å; K130-A134 WeakPolarHBondContact O-CB 3.3Å; K130-A134 PolarHBondContact O-N 3.42Å
131F98.8Very high98.2Very high4 Ų445.3 Ų45.32%0.01825%0.247CC..Hα-helixtrans-66.7-48177.5162.8-102.6000112L4 V12 V69 A72 V73 I76 L79 A127 V128 D129 A133 A134 L135L4-F131 HydrophobicContact CD1-CB 4.29Å; L4-F131 HydrophobicContact CD1-CD2 4.09Å; L4-F131 HydrophobicContact CD2-CB 4.17Å; V12-F131 HydrophobicContact CG1-CB 4.37Å; V12-F131 HydrophobicContact CG1-CD1 4.01Å; V12-F131 HydrophobicContact CG1-CD2 4.19Å; V12-F131 HydrophobicContact CG1-CE1 4.35Å; V12-F131 HydrophobicContact CG1-CG 3.92Å; V12-F131 HydrophobicContact CG2-CB 3.73Å; V12-F131 HydrophobicContact CG2-CG 4.2Å; V69-F131 HydrophobicContact CG1-CE1 4.12Å; A72-F131 HydrophobicContact CB-CE2 4.1Å; A72-F131 HydrophobicContact CB-CZ 3.72Å; V73-F131 HydrophobicContact CB-CZ 4.43Å; V73-F131 HydrophobicContact CG2-CE1 3.9Å; V73-F131 HydrophobicContact CG2-CE2 4.24Å; V73-F131 HydrophobicContact CG2-CZ 3.53Å; I76-F131 HydrophobicContact CD1-CD2 3.61Å; I76-F131 HydrophobicContact CD1-CE2 3.96Å; I76-F131 HydrophobicContact CD1-CG 4.43Å; I76-F131 HydrophobicContact CG1-CD2 3.8Å; I76-F131 HydrophobicContact CG1-CE2 3.98Å; L79-F131 HydrophobicContact CD1-CD2 4.44Å; L79-F131 HydrophobicContact CD1-CE2 4.47Å; L79-F131 HydrophobicContact CD2-CE2 4.23Å; A127-F131 WeakPolarHBondContact O-CB 3.38Å; A127-F131 PolarHBondContact O-N 3.2Å; V128-F131 WeakPolarHBondContact O-CB 3.45Å; V128-F131 PolarHBondContact O-N 3.29Å; V128-F131 VanDerWaalsContact O-N 3.17Å; D129-F131 VanDerWaalsContact C-N 3.27Å; D129-F131 PolarHBondContact O-N 2.99Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 3.22Å; F131-A134 WeakPolarHBondContact O-CB 3.27Å; F131-A134 PolarHBondContact O-N 2.88Å; F131-A134 VanDerWaalsContact O-N 3.11Å; F131-L135 HydrophobicContact CE1-CD1 4.24Å; F131-L135 HydrophobicContact CZ-CD1 4.07Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 PolarHBondContact O-N 3.19Å
132L98.6Very high98Very high7 Ų746.3 Ų46.34%0.03725%0.247CC..Hα-helixtrans-64.5-34.9177.7-67.7175.3000111.7A105 I108 L109 V128 D129 L135 A136A105-L132 HydrophobicContact CB-CB 3.87Å; A105-L132 HydrophobicContact CB-CD1 4.11Å; I108-L132 HydrophobicContact CB-CD1 4.36Å; I108-L132 HydrophobicContact CG2-CD1 4.11Å; L109-L132 HydrophobicContact CD2-CD1 3.85Å; L109-L132 HydrophobicContact CG-CD1 3.93Å; V128-L132 HydrophobicContact CG1-CD1 4.07Å; V128-L132 HydrophobicContact CG1-CG 4.31Å; V128-L132 WeakPolarHBondContact O-CG 3.46Å; V128-L132 PolarHBondContact O-N 3.09Å; D129-L132 PolarHBondContact O-N 3.06Å; L132-L135 HydrophobicContact CD2-CD1 4.46Å; L132-L135 PolarHBondContact O-N 3.35Å; L132-A136 WeakPolarHBondContact O-CB 3.36Å; L132-A136 PolarHBondContact O-N 3.43Å
133A98.3Very high97.9Very high49 Ų4944.9 Ų44.941%0.40523%0.23SC..Hα-helixtrans-66-38.5172.200000112.5D129 F131 R137D129-A133 WeakPolarHBondContact O-CB 2.84Å; D129-A133 PolarHBondContact O-N 2.96Å; F131-A133 VanDerWaalsContact C-N 3.29Å; F131-A133 PolarHBondContact O-N 3.22Å; A133-R137 WeakPolarHBondContact O-CB 3Å; A133-R137 PolarHBondContact O-N 2.66Å
134A98.2Very high97.5Very high17 Ų1753.2 Ų53.214%0.1426%0.256CS..Hα-helixtrans-69.2-39.4174.700000112L4 L79 K130 F131 R137 A138L4-A134 HydrophobicContact CD1-CB 4.48Å; L79-A134 HydrophobicContact CD1-CB 3.68Å; K130-A134 WeakPolarHBondContact O-CB 3.3Å; K130-A134 PolarHBondContact O-N 3.42Å; F131-A134 WeakPolarHBondContact O-CB 3.27Å; F131-A134 PolarHBondContact O-N 2.88Å; F131-A134 VanDerWaalsContact O-N 3.11Å; A134-R137 WeakPolarHBondContact O-CB 3.25Å; A134-R137 PolarHBondContact O-N 3.12Å; A134-A138 PolarHBondContact O-N 3.47Å
135L98.3Very high97.4Very high22 Ų2254.9 Ų54.912%0.11526%0.263CS..Hα-helixtrans-60.5-50.2173-176.3165.3000110.6V69 A72 L83 F131 L132 R137 A138 L139V69-L135 HydrophobicContact CG2-CD1 4.44Å; A72-L135 HydrophobicContact CB-CD1 3.39Å; A72-L135 HydrophobicContact CB-CG 3.97Å; L83-L135 HydrophobicContact CD1-CG 3.99Å; F131-L135 HydrophobicContact CE1-CD1 4.24Å; F131-L135 HydrophobicContact CZ-CD1 4.07Å; F131-L135 WeakPolarHBondContact O-CB 3.35Å; F131-L135 PolarHBondContact O-N 3.19Å; L132-L135 HydrophobicContact CD2-CD1 4.46Å; L132-L135 PolarHBondContact O-N 3.35Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 2.96Å; L135-A138 WeakPolarHBondContact O-CB 3.25Å; L135-A138 PolarHBondContact O-N 3.03Å; L135-A138 VanDerWaalsContact O-N 3.09Å; L135-L139 HydrophobicContact CD2-CD1 3.6Å; L135-L139 HydrophobicContact CD2-CG 4.01Å; L135-L139 PolarHBondContact O-N 2.92Å
136A98.1Very high97.3Very high15 Ų1553.5 Ų53.512%0.12426%0.257CS..Hα-helixtrans-58.3-39.5176.700000112F101 L132 L139 S140F101-A136 HydrophobicContact CB-CB 3.64Å; F101-A136 HydrophobicContact CG-CB 4.41Å; L132-A136 WeakPolarHBondContact O-CB 3.36Å; L132-A136 PolarHBondContact O-N 3.43Å; A136-L139 PolarHBondContact O-N 2.9Å; A136-S140 WeakPolarHBondContact O-CB 3.48Å; A136-S140 PolarHBondContact O-N 2.81Å; A136-S140 PolarHBondContact O-OG 2.85Å
137R96.9Very high97.2Very high112 Ų11251.9 Ų51.942%0.42324%0.243SC..Hα-helixtrans-63.3-45174.3-171.9-175.8-62.6138.16.4111.6M2 A133 A134 L135 S140 E141M2-R137 PolarHBondContact O-NH1 3.28Å; A133-R137 WeakPolarHBondContact O-CB 3Å; A133-R137 PolarHBondContact O-N 2.66Å; A134-R137 WeakPolarHBondContact O-CB 3.25Å; A134-R137 PolarHBondContact O-N 3.12Å; L135-R137 VanDerWaalsContact C-N 3.26Å; L135-R137 PolarHBondContact O-N 2.96Å; R137-S140 WeakPolarHBondContact O-CA 3.36Å; R137-S140 WeakPolarHBondContact O-CB 3.15Å; R137-S140 PolarHBondContact O-N 3.45Å; R137-E141 PolarHBondContact O-N 3.17Å
138A97.5Very high97.2Very high1 Ų154.8 Ų54.81%0.00826%0.256CS..Hα-helixtrans-62.5-41.2177.300000112.1L79 L83 S87 A134 L135 S140 E141L79-A138 HydrophobicContact CB-CB 3.88Å; L79-A138 WeakPolarHBondContact O-CB 3.38Å; L83-A138 HydrophobicContact CB-CB 4.43Å; L83-A138 HydrophobicContact CD1-CB 4.08Å; S87-A138 PolarHBondContact OG-O 3.33Å; A134-A138 PolarHBondContact O-N 3.47Å; L135-A138 WeakPolarHBondContact O-CB 3.25Å; L135-A138 PolarHBondContact O-N 3.03Å; L135-A138 VanDerWaalsContact O-N 3.09Å; A138-S140 PolarHBondContact O-N 3.09Å; A138-E141 WeakPolarHBondContact O-CB 3.43Å; A138-E141 PolarHBondContact O-N 3.41Å
139L97.9Very high97.1Very high12 Ų1257.9 Ų57.96%0.06327%0.271CS..Hα-helixtrans-63.2-27.9172.8-67.8-177.1000112.6L83 L86 S87 F101 L135 A136 E141 Y143L83-L139 HydrophobicContact CB-CD2 4.38Å; L86-L139 HydrophobicContact CB-CD2 3.53Å; L86-L139 HydrophobicContact CD2-CD2 4.4Å; S87-L139 WeakPolarHBondContact CA-O 3.31Å; S87-L139 WeakPolarHBondContact CB-O 3.39Å; S87-L139 PolarHBondContact OG-O 3.46Å; F101-L139 HydrophobicContact CD1-CD1 3.99Å; F101-L139 HydrophobicContact CD2-CB 4.33Å; F101-L139 HydrophobicContact CE1-CB 4.26Å; F101-L139 HydrophobicContact CE1-CD1 3.77Å; F101-L139 HydrophobicContact CE2-CB 3.82Å; F101-L139 HydrophobicContact CZ-CB 3.79Å; F101-L139 HydrophobicContact CZ-CD1 4.16Å; L135-L139 HydrophobicContact CD2-CD1 3.6Å; L135-L139 HydrophobicContact CD2-CG 4.01Å; L135-L139 PolarHBondContact O-N 2.92Å; A136-L139 PolarHBondContact O-N 2.9Å; L139-E141 VanDerWaalsContact C-N 3.31Å; L139-E141 PolarHBondContact O-N 2.75Å; L139-Y143 VanDerWaalsContact O-CE2 3.31Å; L139-Y143 WeakPolarHBondContact O-CE2 3.3Å
140S97.3Very high97Very high37 Ų3756.9 Ų56.926%0.25926%0.262SS..THydrogen-bonded Turntrans-82.1-2.8179.5-53.70000114.3A136 R137 A138 K142 Y143A136-S140 WeakPolarHBondContact O-CB 3.48Å; A136-S140 PolarHBondContact O-N 2.81Å; A136-S140 PolarHBondContact O-OG 2.85Å; R137-S140 WeakPolarHBondContact O-CA 3.36Å; R137-S140 WeakPolarHBondContact O-CB 3.15Å; R137-S140 PolarHBondContact O-N 3.45Å; A138-S140 PolarHBondContact O-N 3.09Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 3.43Å; S140-Y143 PolarHBondContact O-N 2.95Å
141E95.6Very high96.8Very high99 Ų9957.7 Ų57.746%0.46327%0.267SS..G310 helixtrans-61.6-37.9-171.7-168.966.9-158.900112.9T80 S87 R137 A138 L139T80-E141 HydrophobicContact CG2-CB 4.47Å; T80-E141 HydrophobicContact CG2-CG 3.84Å; S87-E141 PolarHBondContact OG-N 2.68Å; R137-E141 PolarHBondContact O-N 3.17Å; A138-E141 WeakPolarHBondContact O-CB 3.43Å; A138-E141 PolarHBondContact O-N 3.41Å; L139-E141 VanDerWaalsContact C-N 3.31Å; L139-E141 PolarHBondContact O-N 2.75Å
142K95.3Very high96.7Very high72 Ų7261.8 Ų61.831%0.31329%0.286SS..G310 helixtrans-94.113.2-174-65.9-67.9-174.5179.20115.6L84 S87 E88 A91 F92 S140 R144L84-K142 HydrophobicContact CD1-CD 4.33Å; L84-K142 HydrophobicContact CD1-CG 4.25Å; S87-K142 WeakPolarHBondContact OG-CB 3.15Å; S87-K142 PolarHBondContact OG-N 3.45Å; E88-K142 HydrophobicContact CG-CB 4.33Å; E88-K142 HydrophobicContact CG-CD 4.37Å; E88-K142 HydrophobicContact CG-CG 3.82Å; A91-K142 HydrophobicContact CB-CB 4.18Å; F92-K142 HydrophobicContact CE2-CB 3.96Å; F92-K142 HydrophobicContact CZ-CB 4.24Å; F92-K142 WeakPolarHBondContact CZ-O 3.33Å; S140-K142 VanDerWaalsContact C-N 3.33Å; S140-K142 PolarHBondContact O-N 3.43Å; K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.21Å
143Y96.1Very high96.5Very high64 Ų6466.4 Ų66.425%0.25131%0.307SS..G310 helixtrans-78-12.8-177.4-84.8-99.4000114.7H90 A91 V96 P98 F101 L139 S140H90-Y143 PolarHBondContact O-OH 3.37Å; A91-Y143 HydrophobicContact CB-CD1 4.34Å; A91-Y143 HydrophobicContact CB-CD2 3.71Å; A91-Y143 HydrophobicContact CB-CE1 4.32Å; A91-Y143 HydrophobicContact CB-CE2 3.73Å; A91-Y143 HydrophobicContact CB-CG 4.07Å; V96-Y143 WeakPolarHBondContact O-CE1 3.13Å; V96-Y143 PolarHBondContact O-OH 3.01Å; P98-Y143 VanDerWaalsContact CD-CE1 3.43Å; P98-Y143 HydrophobicContact CG-CD1 3.35Å; P98-Y143 HydrophobicContact CG-CD2 4.05Å; P98-Y143 HydrophobicContact CG-CE1 3.41Å; P98-Y143 VanDerWaalsContact CG-CE1 3.41Å; P98-Y143 HydrophobicContact CG-CE2 4.08Å; P98-Y143 HydrophobicContact CG-CG 3.66Å; F101-Y143 HydrophobicContact CE2-CE2 4.15Å; F101-Y143 HydrophobicContact CZ-CE2 4.39Å; F101-Y143 WeakPolarHBondContact CZ-OH 3.44Å; L139-Y143 VanDerWaalsContact O-CE2 3.31Å; L139-Y143 WeakPolarHBondContact O-CE2 3.3Å; S140-Y143 PolarHBondContact O-N 2.95Å
144R89.1Confident96.4Very high297 Ų29768 Ų68100%1.12130%0.298SS*.  trans-154.50179.963.6-179-179.2176.81.4111.6K142K142-R144 VanDerWaalsContact C-N 3.3Å; K142-R144 PolarHBondContact O-N 3.21Å

Retrieved 144 of 144 residues in 84.1 ms (Link to these results)

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