F802_SCHMA Loading...

Female-specific protein 800

FS800 is likely to have some function in the production or maintenance of the schistosome egg. It may have a function unrelated to eggshell formation.

AlphaFold DB , UniProt , Accession P16464, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 132 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
1M48.6Very low46Very low158 Ų158113.5 Ų113.578%0.77855%0.549SS*.  0-47.40-149.2165.28000113.2I3 I4 I5M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.45Å; M1-I3 VanDerWaalsContact O-N 3.17Å; M1-I4 WeakPolarHBondContact O-CB 2.96Å; M1-I4 PolarHBondContact O-N 2.8Å; M1-I5 PolarHBondContact O-N 3.5Å
2I44.2Very low46.2Very low127 Ų127112.3 Ų112.365%0.65154%0.542SS*.Hα-helixtrans-51.9-39.5-179.3-62168.7000113.7I4 I5 K6I2-I4 VanDerWaalsContact C-N 3.34Å; I2-I4 PolarHBondContact O-N 3.05Å; I2-I5 PolarHBondContact O-N 3.42Å; I2-K6 PolarHBondContact O-N 2.97Å
3I45.2Very low46.5Very low127 Ų127110.5 Ų110.565%0.65154%0.536SS*.Hα-helixtrans-62.1-40.7179-60.7174.9000111.4M1 I5 K6 I7M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.45Å; M1-I3 VanDerWaalsContact O-N 3.17Å; I3-I5 VanDerWaalsContact C-N 3.33Å; I3-I5 PolarHBondContact O-N 2.88Å; I3-K6 PolarHBondContact O-N 3.09Å; I3-I7 HydrophobicContact CG2-CD1 3.8Å; I3-I7 HydrophobicContact CG2-CG1 4.4Å; I3-I7 VanDerWaalsContact O-CG1 3.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.12Å; I3-I7 PolarHBondContact O-N 2.96Å
4I44.1Very low46.3Very low106 Ų106109.8 Ų109.854%0.54453%0.534SS..Hα-helixtrans-65.1-40.6179.5-59.6172.9000110.3M1 I2 I7 R8M1-I4 WeakPolarHBondContact O-CB 2.96Å; M1-I4 PolarHBondContact O-N 2.8Å; I2-I4 VanDerWaalsContact C-N 3.34Å; I2-I4 PolarHBondContact O-N 3.05Å; I4-I7 PolarHBondContact O-N 2.87Å; I4-R8 PolarHBondContact O-N 3.49Å
5I45.6Very low46.5Very low54 Ų54107.8 Ų107.828%0.27753%0.526SS..Hα-helixtrans-63.8-47177-61172.8000110.1M1 I2 I3 I7 R8 I9M1-I5 PolarHBondContact O-N 3.5Å; I2-I5 PolarHBondContact O-N 3.42Å; I3-I5 VanDerWaalsContact C-N 3.33Å; I3-I5 PolarHBondContact O-N 2.88Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 2.87Å; I5-R8 PolarHBondContact O-N 2.86Å; I5-I9 HydrophobicContact CG2-CD1 3.94Å; I5-I9 WeakPolarHBondContact O-CG1 3.39Å; I5-I9 PolarHBondContact O-N 3.27Å
6K41.4Very low46.6Very low139 Ų139104.4 Ų104.460%0.60451%0.51SS*.Hα-helixtrans-58.5-41.8175.2-81.3-173174-176.90112.4I2 I3 I9 N10I2-K6 PolarHBondContact O-N 2.97Å; I3-K6 PolarHBondContact O-N 3.09Å; K6-I9 PolarHBondContact O-N 2.79Å; K6-N10 WeakPolarHBondContact O-CB 3.33Å; K6-N10 PolarHBondContact O-N 3.22Å
7I43.5Very low46.3Very low88 Ų88102.2 Ų102.245%0.45151%0.505SS..Hα-helixtrans-63.3-45.3177.2-69.6166.8000110.6I3 I4 I5 I9 N10 I11I3-I7 HydrophobicContact CG2-CD1 3.8Å; I3-I7 HydrophobicContact CG2-CG1 4.4Å; I3-I7 VanDerWaalsContact O-CG1 3.27Å; I3-I7 WeakPolarHBondContact O-CG1 3.12Å; I3-I7 PolarHBondContact O-N 2.96Å; I4-I7 PolarHBondContact O-N 2.87Å; I5-I7 VanDerWaalsContact C-N 3.32Å; I5-I7 PolarHBondContact O-N 2.87Å; I7-I9 PolarHBondContact O-N 3.5Å; I7-N10 PolarHBondContact O-N 3.37Å; I7-I11 HydrophobicContact CG2-CD1 3.69Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 2.88Å
8R47.5Very low46.4Very low175 Ų175102.1 Ų102.166%0.6651%0.505SS*.Hα-helixtrans-60.6-45.4177.6-79.5-172.6171.3-164.5-1.9112.4I4 I5 N10 I11 H12I4-R8 PolarHBondContact O-N 3.49Å; I5-R8 PolarHBondContact O-N 2.86Å; R8-N10 PolarHBondContact O-N 3.47Å; R8-I11 PolarHBondContact O-N 3.41Å; R8-H12 PolarHBondContact O-CD2 3.18Å; R8-H12 VanDerWaalsContact O-CD2 3.24Å; R8-H12 PolarHBondContact O-N 3.27Å
9I52.3Low46.6Very low90 Ų90102 Ų10246%0.46251%0.506SS..Hα-helixtrans-60.8-46.4177.5-66.7168.7000110.3I5 K6 I7 I11 H12 I13I5-I9 HydrophobicContact CG2-CD1 3.94Å; I5-I9 WeakPolarHBondContact O-CG1 3.39Å; I5-I9 PolarHBondContact O-N 3.27Å; K6-I9 PolarHBondContact O-N 2.79Å; I7-I9 PolarHBondContact O-N 3.5Å; I9-I11 PolarHBondContact O-N 2.8Å; I9-H12 PolarHBondContact O-N 2.83Å; I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.18Å; I9-I13 PolarHBondContact O-N 2.94Å
10N41.6Very low46.7Very low97 Ų97101 Ų10152%0.51950%0.501SS..Hα-helixtrans-61.8-42.5178.6-79.1-11.5000112.5K6 I7 R8 H12 I13 I14K6-N10 WeakPolarHBondContact O-CB 3.33Å; K6-N10 PolarHBondContact O-N 3.22Å; I7-N10 PolarHBondContact O-N 3.37Å; R8-N10 PolarHBondContact O-N 3.47Å; N10-H12 VanDerWaalsContact C-N 3.34Å; N10-H12 PolarHBondContact O-N 3.45Å; N10-I13 PolarHBondContact O-N 3.47Å; N10-I14 VanDerWaalsContact O-CG1 3.27Å; N10-I14 WeakPolarHBondContact O-CG1 3.44Å; N10-I14 PolarHBondContact O-N 2.95Å
11I52.2Low46.8Very low87 Ų87100.5 Ų100.545%0.44650%0.5SS..Hα-helixtrans-61.6-44176.4-69.2169000110.4I7 R8 I9 I13 I14 I15I7-I11 HydrophobicContact CG2-CD1 3.69Å; I7-I11 HydrophobicContact CG2-CG1 4.36Å; I7-I11 VanDerWaalsContact O-CG1 3.3Å; I7-I11 WeakPolarHBondContact O-CG1 3.37Å; I7-I11 PolarHBondContact O-N 2.88Å; R8-I11 PolarHBondContact O-N 3.41Å; I9-I11 PolarHBondContact O-N 2.8Å; I11-I13 PolarHBondContact O-N 3.06Å; I11-I14 PolarHBondContact O-N 3.35Å; I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.21Å; I11-I15 PolarHBondContact O-N 3.42Å
12H47.9Very low46.7Very low99 Ų9999.7 Ų99.746%0.45849%0.492SS..Hα-helixtrans-63.4-41.5177.6-81.5-59.3000112.9R8 I9 N10 I14 I15 L16 F63R8-H12 PolarHBondContact O-CD2 3.18Å; R8-H12 VanDerWaalsContact O-CD2 3.24Å; R8-H12 PolarHBondContact O-N 3.27Å; I9-H12 PolarHBondContact O-N 2.83Å; N10-H12 VanDerWaalsContact C-N 3.34Å; N10-H12 PolarHBondContact O-N 3.45Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 3.2Å; H12-I15 PolarHBondContact O-N 2.86Å; H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.35Å; H12-F63 HydrophobicContact CB-CE1 4.46Å
13I50.7Low46.7Very low90 Ų9094.8 Ų94.846%0.46247%0.472SS..Hα-helixtrans-62.3-41.6176.1-67.8168.6000111.1I9 N10 I11 L16 T17I9-I13 HydrophobicContact CG2-CD1 3.77Å; I9-I13 HydrophobicContact CG2-CG1 4.41Å; I9-I13 WeakPolarHBondContact O-CG1 3.18Å; I9-I13 PolarHBondContact O-N 2.94Å; N10-I13 PolarHBondContact O-N 3.47Å; I11-I13 PolarHBondContact O-N 3.06Å; I13-L16 PolarHBondContact O-N 2.93Å; I13-T17 WeakPolarHBondContact O-CB 3.22Å; I13-T17 PolarHBondContact O-N 3.42Å; I13-T17 PolarHBondContact O-OG1 2.85Å
14I43.1Very low46.9Very low100 Ų10091.5 Ų91.551%0.51346%0.458SS..Hα-helixtrans-63.3-48.8177.1-68.8165.1000110.5N10 I11 H12 L16 T17 I18N10-I14 VanDerWaalsContact O-CG1 3.27Å; N10-I14 WeakPolarHBondContact O-CG1 3.44Å; N10-I14 PolarHBondContact O-N 2.95Å; I11-I14 PolarHBondContact O-N 3.35Å; H12-I14 VanDerWaalsContact C-N 3.34Å; H12-I14 PolarHBondContact O-N 3.2Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.47Å; I14-T17 PolarHBondContact O-N 2.87Å; I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CG1 3.32Å; I14-I18 PolarHBondContact O-N 3.19Å
15I49.6Very low47.2Very low80 Ų8091.1 Ų91.141%0.4146%0.457SS..Hα-helixtrans-58.8-44.9178.1-67.9167.3000110.6I11 H12 T17 I18 I19I11-I15 HydrophobicContact CG2-CD1 3.75Å; I11-I15 HydrophobicContact CG2-CG1 4.42Å; I11-I15 VanDerWaalsContact O-CG1 3.31Å; I11-I15 WeakPolarHBondContact O-CG1 3.21Å; I11-I15 PolarHBondContact O-N 3.42Å; H12-I15 PolarHBondContact O-N 2.86Å; I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 3.45Å; I15-I18 PolarHBondContact O-N 3.44Å; I15-I19 HydrophobicContact CG2-CD1 3.86Å; I15-I19 WeakPolarHBondContact O-CG1 3.27Å; I15-I19 PolarHBondContact O-N 3.03Å
16L47.5Very low47.2Very low53 Ų5393.1 Ų93.128%0.27747%0.468SS..Hα-helixtrans-60.5-44.5178.1-174.968.3000111.6H12 I13 I14 I18 I19 I20H12-L16 WeakPolarHBondContact O-CB 3.46Å; H12-L16 PolarHBondContact O-N 3.35Å; I13-L16 PolarHBondContact O-N 2.93Å; I14-L16 VanDerWaalsContact C-N 3.32Å; I14-L16 PolarHBondContact O-N 3.47Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 2.98Å; L16-I19 PolarHBondContact O-N 3.39Å; L16-I20 HydrophobicContact CD1-CD1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.27Å
17T42.8Very low47.4Very low68 Ų6888.8 Ų88.842%0.41745%0.451SS..Hα-helixtrans-63-41179-580000110.9I13 I14 I15 I20 I21I13-T17 WeakPolarHBondContact O-CB 3.22Å; I13-T17 PolarHBondContact O-N 3.42Å; I13-T17 PolarHBondContact O-OG1 2.85Å; I14-T17 PolarHBondContact O-N 2.87Å; I15-T17 VanDerWaalsContact C-N 3.34Å; I15-T17 PolarHBondContact O-N 3.45Å; T17-I20 PolarHBondContact O-N 2.87Å; T17-I21 HydrophobicContact CG2-CD1 3.81Å; T17-I21 HydrophobicContact CG2-CG1 4.44Å; T17-I21 WeakPolarHBondContact O-CB 3.29Å; T17-I21 VanDerWaalsContact O-CG1 3.23Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 2.87Å
18I47.9Very low47.3Very low100 Ų10093.1 Ų93.151%0.51346%0.462SS..Hα-helixtrans-62.2-43.4175-67.1166000111.2I14 I15 L16 I21 K22I14-I18 HydrophobicContact CG2-CD1 3.87Å; I14-I18 WeakPolarHBondContact O-CG1 3.32Å; I14-I18 PolarHBondContact O-N 3.19Å; I15-I18 PolarHBondContact O-N 3.44Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 2.98Å; I18-I21 PolarHBondContact O-N 3.31Å; I18-K22 VanDerWaalsContact O-CB 3.29Å; I18-K22 WeakPolarHBondContact O-CB 3.33Å; I18-K22 PolarHBondContact O-N 3.33Å
19I50.6Low47.3Very low100 Ų10090.9 Ų90.951%0.51346%0.46SS..Hα-helixtrans-62.4-45.7178.4-67.7166000110.7I15 L16 K22 G23I15-I19 HydrophobicContact CG2-CD1 3.86Å; I15-I19 WeakPolarHBondContact O-CG1 3.27Å; I15-I19 PolarHBondContact O-N 3.03Å; L16-I19 PolarHBondContact O-N 3.39Å; I19-K22 PolarHBondContact O-N 2.93Å; I19-G23 PolarHBondContact O-N 3.21Å
20I48.6Very low47Very low82 Ų8288.8 Ų88.842%0.42145%0.454SS..Hα-helixtrans-63.6-45178.9-66.7169.3000110.6L16 T17 G23 T24L16-I20 HydrophobicContact CD1-CD1 4.46Å; L16-I20 HydrophobicContact CG-CD1 4.05Å; L16-I20 WeakPolarHBondContact O-CG1 3.35Å; L16-I20 PolarHBondContact O-N 3.27Å; T17-I20 PolarHBondContact O-N 2.87Å; I20-G23 PolarHBondContact O-N 3.27Å; I20-T24 WeakPolarHBondContact O-CB 3.46Å; I20-T24 PolarHBondContact O-N 2.71Å; I20-T24 PolarHBondContact O-OG1 3.46Å
21I48.2Very low47.3Very low91 Ų9188 Ų8847%0.46745%0.448SS..Hα-helixtrans-62.3-47.9177.7-69.5169.7000110.3T17 I18 G23 T24 I25T17-I21 HydrophobicContact CG2-CD1 3.81Å; T17-I21 HydrophobicContact CG2-CG1 4.44Å; T17-I21 WeakPolarHBondContact O-CB 3.29Å; T17-I21 VanDerWaalsContact O-CG1 3.23Å; T17-I21 WeakPolarHBondContact O-CG1 3.47Å; T17-I21 PolarHBondContact O-N 2.87Å; I18-I21 PolarHBondContact O-N 3.31Å; I21-G23 PolarHBondContact O-N 3.44Å; I21-T24 PolarHBondContact O-N 3.4Å; I21-I25 HydrophobicContact CG2-CD1 3.69Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.33Å; I21-I25 PolarHBondContact O-N 3.39Å
22K45.6Very low47.1Very low140 Ų14088.6 Ų88.661%0.60946%0.456SS*.Hα-helixtrans-61.3-43.5178.7-172177.6-178.6179.40111.8I18 I19 T24 I25 N26I18-K22 VanDerWaalsContact O-CB 3.29Å; I18-K22 WeakPolarHBondContact O-CB 3.33Å; I18-K22 PolarHBondContact O-N 3.33Å; I19-K22 PolarHBondContact O-N 2.93Å; K22-T24 VanDerWaalsContact C-N 3.35Å; K22-I25 PolarHBondContact O-N 2.99Å; K22-N26 WeakPolarHBondContact O-CB 3.45Å; K22-N26 PolarHBondContact O-N 3.41Å
23G45.2Very low47.2Very low24 Ų2489.7 Ų89.725%0.24747%0.465CS..Hα-helixtrans-60.6-43.9174.300000112.1I19 I20 I21 N26 L27I19-G23 PolarHBondContact O-N 3.21Å; I20-G23 PolarHBondContact O-N 3.27Å; I21-G23 PolarHBondContact O-N 3.44Å; G23-N26 PolarHBondContact O-N 3.37Å; G23-L27 WeakPolarHBondContact O-CG 3.39Å; G23-L27 PolarHBondContact O-N 2.97Å
24T48.6Very low47Very low58 Ų5886.8 Ų86.836%0.35645%0.45SS..Hα-helixtrans-66.2-41.4178.7-540000112.1I20 I21 K22 L27 R28I20-T24 WeakPolarHBondContact O-CB 3.46Å; I20-T24 PolarHBondContact O-N 2.71Å; I20-T24 PolarHBondContact O-OG1 3.46Å; I21-T24 PolarHBondContact O-N 3.4Å; K22-T24 VanDerWaalsContact C-N 3.35Å; T24-L27 PolarHBondContact O-N 3.4Å; T24-R28 WeakPolarHBondContact O-CG 3.5Å; T24-R28 PolarHBondContact O-N 2.98Å
25I51.1Low47Very low99 Ų9988.3 Ų88.351%0.50846%0.459SS..Hα-helixtrans-64.2-44.7175.5-68.2169.1000110.3I21 K22 L27 R28 M29I21-I25 HydrophobicContact CG2-CD1 3.69Å; I21-I25 HydrophobicContact CG2-CG1 4.32Å; I21-I25 WeakPolarHBondContact O-CG1 3.33Å; I21-I25 PolarHBondContact O-N 3.39Å; K22-I25 PolarHBondContact O-N 2.99Å; I25-L27 VanDerWaalsContact C-N 3.31Å; I25-L27 PolarHBondContact O-N 2.97Å; I25-R28 PolarHBondContact O-N 3.22Å; I25-M29 WeakPolarHBondContact O-CB 3.33Å; I25-M29 PolarHBondContact O-N 3.44Å
26N44.5Very low46.9Very low95 Ų9593.5 Ų93.551%0.50848%0.479SS..Hα-helixtrans-61.4-39.8176.4-76.6-9.4000112K22 G23 S30K22-N26 WeakPolarHBondContact O-CB 3.45Å; K22-N26 PolarHBondContact O-N 3.41Å; G23-N26 PolarHBondContact O-N 3.37Å; N26-S30 WeakPolarHBondContact O-CB 3.35Å; N26-S30 PolarHBondContact O-N 3.01Å
27L47.3Very low46.8Very low49 Ų4995.8 Ų95.826%0.25749%0.49SS..Hα-helixtrans-63.6-47.4173.8-74.6169.6000111.3G23 T24 I25 M29 S30 I31 M48 M52G23-L27 WeakPolarHBondContact O-CG 3.39Å; G23-L27 PolarHBondContact O-N 2.97Å; T24-L27 PolarHBondContact O-N 3.4Å; I25-L27 VanDerWaalsContact C-N 3.31Å; I25-L27 PolarHBondContact O-N 2.97Å; L27-M29 PolarHBondContact O-N 2.94Å; L27-S30 PolarHBondContact O-N 3.41Å; L27-I31 WeakPolarHBondContact O-CB 3.35Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.31Å; L27-I31 PolarHBondContact O-N 3.1Å; L27-M48 HydrophobicContact CD2-CE 4.05Å; L27-M48 HydrophobicContact CD2-SD 4.19Å; L27-M52 HydrophobicContact CD1-SD 4.12Å
28R41.3Very low46.6Very low179 Ų179100.5 Ų100.568%0.67551%0.507SS*.Hα-helixtrans-61.4-45176.7-77.3-173178.5-1550.8111.7T24 I25 S30 I31 V32T24-R28 WeakPolarHBondContact O-CG 3.5Å; T24-R28 PolarHBondContact O-N 2.98Å; I25-R28 PolarHBondContact O-N 3.22Å; R28-S30 VanDerWaalsContact C-N 3.33Å; R28-S30 PolarHBondContact O-N 2.89Å; R28-I31 PolarHBondContact O-N 3.43Å; R28-V32 WeakPolarHBondContact O-CB 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.37Å; R28-V32 PolarHBondContact O-N 3.45Å
29M47.5Very low46.6Very low128 Ų128102.4 Ų102.463%0.63152%0.517SS*.Hα-helixtrans-63-42.1177.2-158.273.7-18000110.6I25 L27 V32 N33I25-M29 WeakPolarHBondContact O-CB 3.33Å; I25-M29 PolarHBondContact O-N 3.44Å; L27-M29 PolarHBondContact O-N 2.94Å; M29-V32 PolarHBondContact O-N 2.96Å; M29-N33 WeakPolarHBondContact O-CB 3.44Å; M29-N33 PolarHBondContact O-N 3.06Å
30S45.8Very low46.2Very low46 Ų46103.5 Ų103.532%0.32253%0.528SS..Hα-helixtrans-61.9-43.2175.3-169.40000111.7N26 L27 R28 Q34N26-S30 WeakPolarHBondContact O-CB 3.35Å; N26-S30 PolarHBondContact O-N 3.01Å; L27-S30 PolarHBondContact O-N 3.41Å; R28-S30 VanDerWaalsContact C-N 3.33Å; R28-S30 PolarHBondContact O-N 2.89Å; S30-Q34 WeakPolarHBondContact O-CB 3.47Å; S30-Q34 VanDerWaalsContact O-CD 3.24Å; S30-Q34 WeakPolarHBondContact O-CG 3.22Å; S30-Q34 PolarHBondContact O-N 2.88Å; S30-Q34 PolarHBondContact OG-NE2 2.94Å
31I48.4Very low46Very low79 Ų79103.8 Ų103.841%0.40553%0.526SS..Hα-helixtrans-67.6-45177.1-67.2162.8000111L27 R28 N33 Q34 N35L27-I31 WeakPolarHBondContact O-CB 3.35Å; L27-I31 WeakPolarHBondContact O-CD1 3.43Å; L27-I31 WeakPolarHBondContact O-CG1 3.31Å; L27-I31 PolarHBondContact O-N 3.1Å; R28-I31 PolarHBondContact O-N 3.43Å; I31-N33 PolarHBondContact O-N 3.37Å; I31-Q34 CarbonylContact O-C 3.56Å; I31-Q34 PolarHBondContact O-N 3.39Å; I31-Q34 VanDerWaalsContact O-N 3.09Å; I31-N35 PolarHBondContact O-N 2.97Å
32V48Very low45.9Very low100 Ų100107.9 Ų107.961%0.60654%0.541SS*.Hα-helixtrans-64.9-40.6179.6171.80000111.1R28 M29 Q34 N35R28-V32 WeakPolarHBondContact O-CB 3.23Å; R28-V32 WeakPolarHBondContact O-CG2 3.37Å; R28-V32 PolarHBondContact O-N 3.45Å; M29-V32 PolarHBondContact O-N 2.96Å; V32-Q34 VanDerWaalsContact C-N 3.27Å; V32-Q34 PolarHBondContact O-N 3.44Å; V32-N35 PolarHBondContact O-N 3.21Å
33N48.4Very low45.9Very low122 Ų122109 Ų10965%0.65255%0.548SS*.Hα-helixtrans-71-25.3174.4-127.414.6000112.2M29 I31M29-N33 WeakPolarHBondContact O-CB 3.44Å; M29-N33 PolarHBondContact O-N 3.06Å; I31-N33 PolarHBondContact O-N 3.37Å
34Q46.8Very low45.8Very low30 Ų30110 Ų11014%0.1456%0.559CS.*Hα-helixtrans-87.3-13.6178.2-74.2172.830.900114.7S30 I31 V32 K36 I37 K41S30-Q34 WeakPolarHBondContact O-CB 3.47Å; S30-Q34 VanDerWaalsContact O-CD 3.24Å; S30-Q34 WeakPolarHBondContact O-CG 3.22Å; S30-Q34 PolarHBondContact O-N 2.88Å; S30-Q34 PolarHBondContact OG-NE2 2.94Å; I31-Q34 CarbonylContact O-C 3.56Å; I31-Q34 PolarHBondContact O-N 3.39Å; I31-Q34 VanDerWaalsContact O-N 3.09Å; V32-Q34 VanDerWaalsContact C-N 3.27Å; V32-Q34 PolarHBondContact O-N 3.44Å; Q34-K36 PolarHBondContact O-N 2.99Å; Q34-I37 CarbonylContact O-C 3.47Å; Q34-I37 PolarHBondContact O-N 3Å; Q34-K41 HydrophobicContact CG-CD 3.66Å; Q34-K41 VanDerWaalsContact NE2-CD 3.27Å
35N43.1Very low45.8Very low131 Ų131110.8 Ų110.870%0.70156%0.56SS**THydrogen-bonded Turntrans-62.6-10.4169.6-90.84.6000112.7I31 V32I31-N35 PolarHBondContact O-N 2.97Å; V32-N35 PolarHBondContact O-N 3.21Å
36K48.6Very low45.9Very low190 Ų190110.8 Ų110.883%0.82656%0.56SS**THydrogen-bonded Turntrans-87.4-11166.6-72.3-172.5176.2-178.40114.8Q34Q34-K36 PolarHBondContact O-N 2.99Å
37I45.1Very low46.3Very low101 Ų101112.1 Ų112.152%0.51857%0.565SS.*SBendtrans-129.675.8-175.6-51.4177.6000108.2Q34Q34-I37 CarbonylContact O-C 3.47Å; Q34-I37 PolarHBondContact O-N 3Å
38H38.9Very low46.3Very low166 Ų166114.5 Ų114.577%0.76958%0.576SS**  trans-68.1131.6179.5-14320.8000109.7
39I46.5Very low46.6Very low141 Ų141112 Ų11272%0.72357%0.573SS**SBendtrans107.9-23.7152.2-56.5162.4000119.3
40T44Very low46.8Very low123 Ų123111.4 Ų111.476%0.75557%0.57SS**SBendtrans-95.6-5.3179460000117
41K43.6Very low47Very low87 Ų87115.1 Ų115.138%0.37858%0.584SS.*  trans-101.63.6-171.8-73.6-173.2175.6-179.40117.6Q34 Q43 G44 I45Q34-K41 HydrophobicContact CG-CD 3.66Å; Q34-K41 VanDerWaalsContact NE2-CD 3.27Å; K41-Q43 PolarHBondContact O-N 3.49Å; K41-G44 PolarHBondContact O-N 3.44Å; K41-I45 PolarHBondContact O-N 3.47Å
42K45.5Very low46.8Very low177 Ų177115 Ų11577%0.7758%0.583SS**Hα-helixtrans-55.7-36177-98.4-175.9175.51800112.7I46K42-I46 WeakPolarHBondContact O-CD1 3.32Å; K42-I46 WeakPolarHBondContact O-CG1 3.37Å; K42-I46 PolarHBondContact O-N 3.23Å
43Q46.1Very low47Very low164 Ų164116.5 Ų116.577%0.76659%0.585SS**Hα-helixtrans-71.9-38.7175.9-73.4-178.1-15.900113K41 I45 I46 M47K41-Q43 PolarHBondContact O-N 3.49Å; Q43-I45 PolarHBondContact O-N 3.31Å; Q43-I46 PolarHBondContact O-N 3.34Å; Q43-M47 WeakPolarHBondContact O-CB 3.37Å; Q43-M47 PolarHBondContact O-N 2.94Å
44G42.8Very low47.1Very low46 Ų46117.8 Ų117.847%0.47458%0.584SS.*Hα-helixtrans-63.2-40.9179.900000113K41 M47 M48K41-G44 PolarHBondContact O-N 3.44Å; G44-M47 PolarHBondContact O-N 2.92Å; G44-M48 VanDerWaalsContact O-CB 3.27Å; G44-M48 WeakPolarHBondContact O-CB 3.3Å; G44-M48 PolarHBondContact O-N 3.44Å
45I48.5Very low47.2Very low74 Ų74120.8 Ų120.838%0.37960%0.6SS.*Hα-helixtrans-66-43.2178.2-62.4172000110.9K41 Q43 M48 M49K41-I45 PolarHBondContact O-N 3.47Å; Q43-I45 PolarHBondContact O-N 3.31Å; I45-M48 PolarHBondContact O-N 3.5Å; I45-M49 WeakPolarHBondContact O-CB 3.46Å; I45-M49 PolarHBondContact O-N 3.36Å
46I53.2Low47.3Very low98 Ų98118.5 Ų118.550%0.50359%0.588SS.*Hα-helixtrans-65.3-43.9178.6-65168.8000110.7K42 Q43 M48 M49 M50K42-I46 WeakPolarHBondContact O-CD1 3.32Å; K42-I46 WeakPolarHBondContact O-CG1 3.37Å; K42-I46 PolarHBondContact O-N 3.23Å; Q43-I46 PolarHBondContact O-N 3.34Å; I46-M48 VanDerWaalsContact C-N 3.33Å; I46-M48 PolarHBondContact O-N 2.96Å; I46-M49 PolarHBondContact O-N 2.83Å; I46-M50 HydrophobicContact CG2-CE 3.88Å; I46-M50 PolarHBondContact O-N 3.31Å
47M52.5Low47.5Very low124 Ų124116.2 Ų116.261%0.61158%0.578SS**Hα-helixtrans-62.8-41.3177.5-166.4170.2-170.300111.6Q43 G44 M50 M51Q43-M47 WeakPolarHBondContact O-CB 3.37Å; Q43-M47 PolarHBondContact O-N 2.94Å; G44-M47 PolarHBondContact O-N 2.92Å; M47-M50 PolarHBondContact O-N 3.02Å; M47-M51 PolarHBondContact O-N 2.92Å
48M47.8Very low47.7Very low99 Ų99117.5 Ų117.549%0.48858%0.582SS.*Hα-helixtrans-66.8-39.1176.1-167.6167.6173.300111.9L27 G44 I45 I46 M51 M52L27-M48 HydrophobicContact CD2-CE 4.05Å; L27-M48 HydrophobicContact CD2-SD 4.19Å; G44-M48 VanDerWaalsContact O-CB 3.27Å; G44-M48 WeakPolarHBondContact O-CB 3.3Å; G44-M48 PolarHBondContact O-N 3.44Å; I45-M48 PolarHBondContact O-N 3.5Å; I46-M48 VanDerWaalsContact C-N 3.33Å; I46-M48 PolarHBondContact O-N 2.96Å; M48-M51 PolarHBondContact O-N 3.32Å; M48-M52 PolarHBondContact O-N 3.25Å
49M47.1Very low48Very low127 Ų127112.1 Ų112.163%0.62656%0.558SS**Hα-helixtrans-65.3-39.1175.5-161.7169.596.400112I45 I46 M52 M53I45-M49 WeakPolarHBondContact O-CB 3.46Å; I45-M49 PolarHBondContact O-N 3.36Å; I46-M49 PolarHBondContact O-N 2.83Å; M49-M52 PolarHBondContact O-N 3.41Å; M49-M53 PolarHBondContact O-N 3.33Å
50M52.7Low47.9Very low115 Ų115111.5 Ų111.557%0.56755%0.55SS**Hα-helixtrans-63.4-42.3173.1-78.7-162.2-9200112.5I46 M47 M52 M53 K54I46-M50 HydrophobicContact CG2-CE 3.88Å; I46-M50 PolarHBondContact O-N 3.31Å; M47-M50 PolarHBondContact O-N 3.02Å; M50-M52 VanDerWaalsContact C-N 3.34Å; M50-M53 PolarHBondContact O-N 3.27Å; M50-K54 PolarHBondContact O-N 3.47Å
51M49.4Very low48.3Very low124 Ų124110 Ų11061%0.61154%0.538SS*.Hα-helixtrans-61.4-42.7173.5-89.6-174.6169.600111.7M47 M48 M53 K54 I55M47-M51 PolarHBondContact O-N 2.92Å; M48-M51 PolarHBondContact O-N 3.32Å; M51-M53 VanDerWaalsContact C-N 3.34Å; M51-M53 PolarHBondContact O-N 3.18Å; M51-K54 PolarHBondContact O-N 2.96Å; M51-I55 WeakPolarHBondContact O-CG1 3.27Å; M51-I55 PolarHBondContact O-N 2.95Å
52M44.5Very low48.3Very low77 Ų77111.4 Ų111.438%0.37955%0.548SS..Hα-helixtrans-62.8-40.3177.9-127.4177.686.800112.1L27 M48 M49 M50 I55 L56L27-M52 HydrophobicContact CD1-SD 4.12Å; M48-M52 PolarHBondContact O-N 3.25Å; M49-M52 PolarHBondContact O-N 3.41Å; M50-M52 VanDerWaalsContact C-N 3.34Å; M52-I55 PolarHBondContact O-N 3Å; M52-L56 WeakPolarHBondContact O-CB 3.46Å; M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 3.49Å
53M51.4Low48.4Very low131 Ų131106.4 Ų106.465%0.64553%0.527SS*.Hα-helixtrans-62.6-40.2173.8-94.1178.4127.900112.7M49 M50 M51 L56 K57M49-M53 PolarHBondContact O-N 3.33Å; M50-M53 PolarHBondContact O-N 3.27Å; M51-M53 VanDerWaalsContact C-N 3.34Å; M51-M53 PolarHBondContact O-N 3.18Å; M53-L56 PolarHBondContact O-N 3.21Å; M53-K57 WeakPolarHBondContact O-CB 3.13Å; M53-K57 PolarHBondContact O-N 2.91Å
54K51.4Low48.5Very low148 Ų148102.5 Ų102.564%0.64351%0.511SS*.Hα-helixtrans-62.8-47175.3-78.5-172.5176.1-1740111.7M50 M51 L56 K57 E58M50-K54 PolarHBondContact O-N 3.47Å; M51-K54 PolarHBondContact O-N 2.96Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-L56 PolarHBondContact O-N 2.93Å; K54-K57 WeakPolarHBondContact O-CB 3.48Å; K54-K57 PolarHBondContact O-N 3.24Å; K54-K57 VanDerWaalsContact O-N 3.1Å; K54-E58 PolarHBondContact O-N 3.34Å
55I48.1Very low48.8Very low93 Ų93105.5 Ų105.548%0.47752%0.516SS..Hα-helixtrans-60.9-43.7177.7-65.9166000110.6M51 M52 K57 E58 I59M51-I55 WeakPolarHBondContact O-CG1 3.27Å; M51-I55 PolarHBondContact O-N 2.95Å; M52-I55 PolarHBondContact O-N 3Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 3.47Å; I55-E58 PolarHBondContact O-N 2.93Å; I55-I59 HydrophobicContact CG2-CD1 3.67Å; I55-I59 HydrophobicContact CG2-CG1 4.29Å; I55-I59 WeakPolarHBondContact O-CB 3.38Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 3.49Å
56L45.7Very low48.3Very low83 Ų83105.6 Ų105.644%0.43552%0.517SS..Hα-helixtrans-61.7-37.5175.8-75.2168.8000112.2M52 M53 K54 K60M52-L56 WeakPolarHBondContact O-CB 3.46Å; M52-L56 WeakPolarHBondContact O-CG 3.49Å; M52-L56 PolarHBondContact O-N 3.49Å; M53-L56 PolarHBondContact O-N 3.21Å; K54-L56 VanDerWaalsContact C-N 3.33Å; K54-L56 PolarHBondContact O-N 2.93Å; L56-K60 WeakPolarHBondContact O-CB 3.33Å; L56-K60 PolarHBondContact O-N 3.01Å
57K52.2Low47.9Very low143 Ų143105.1 Ų105.162%0.62252%0.515SS*.Hα-helixtrans-68.8-42.7176.3-168178.4-179.6-176.80111.9M53 K54 I55 K60 N61M53-K57 WeakPolarHBondContact O-CB 3.13Å; M53-K57 PolarHBondContact O-N 2.91Å; K54-K57 WeakPolarHBondContact O-CB 3.48Å; K54-K57 PolarHBondContact O-N 3.24Å; K54-K57 VanDerWaalsContact O-N 3.1Å; I55-K57 VanDerWaalsContact C-N 3.29Å; I55-K57 PolarHBondContact O-N 3.47Å; K57-K60 PolarHBondContact O-N 3.4Å; K57-N61 PolarHBondContact O-N 3.38Å; K57-N61 PolarHBondContact O-OD1 2.86Å
58E50.9Low47.7Very low127 Ų127102.4 Ų102.459%0.59350%0.501SS*.Hα-helixtrans-63.1-43.5175.3-75175.3-174.100111.5K54 I55 N61 L62K54-E58 PolarHBondContact O-N 3.34Å; I55-E58 PolarHBondContact O-N 2.93Å; E58-N61 PolarHBondContact O-N 3.43Å; E58-L62 PolarHBondContact O-N 3.01Å
59I43.6Very low47.5Very low54 Ų54101.9 Ų101.928%0.27750%0.503SS..Hα-helixtrans-61.2-45174.7-71.3171.3000110.7I55 N61 L62 F63I55-I59 HydrophobicContact CG2-CD1 3.67Å; I55-I59 HydrophobicContact CG2-CG1 4.29Å; I55-I59 WeakPolarHBondContact O-CB 3.38Å; I55-I59 WeakPolarHBondContact O-CG1 3.4Å; I55-I59 PolarHBondContact O-N 3.49Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.32Å; I59-L62 WeakPolarHBondContact O-CB 3.27Å; I59-L62 PolarHBondContact O-N 3.28Å; I59-F63 HydrophobicContact CG2-CD2 3.53Å; I59-F63 HydrophobicContact CG2-CE2 3.28Å; I59-F63 HydrophobicContact CG2-CZ 4.45Å; I59-F63 WeakPolarHBondContact O-CD2 3.48Å; I59-F63 PolarHBondContact O-N 3.28Å
60K44.9Very low47.2Very low127 Ų12799.6 Ų99.655%0.55249%0.493SS*.Hα-helixtrans-58.3-47.1175.4-177.4-175.2171.9-173.10111.1L56 K57 L62 F63 D64L56-K60 WeakPolarHBondContact O-CB 3.33Å; L56-K60 PolarHBondContact O-N 3.01Å; K57-K60 PolarHBondContact O-N 3.4Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 2.91Å; K60-F63 PolarHBondContact O-N 3.41Å; K60-D64 WeakPolarHBondContact CE-OD2 3.49Å; K60-D64 PolarHBondContact O-N 2.97Å
61N52.4Low46.8Very low93 Ų9399 Ų9950%0.49749%0.489SS..Hα-helixtrans-62.2-38.7178.6-73.52.7000112K57 E58 I59 D64 L65K57-N61 PolarHBondContact O-N 3.38Å; K57-N61 PolarHBondContact O-OD1 2.86Å; E58-N61 PolarHBondContact O-N 3.43Å; I59-N61 VanDerWaalsContact C-N 3.35Å; I59-N61 PolarHBondContact O-N 3.32Å; N61-D64 PolarHBondContact O-N 3.43Å; N61-L65 WeakPolarHBondContact O-CB 3.36Å; N61-L65 PolarHBondContact O-N 3.46Å
62L44.3Very low46.9Very low115 Ų11596.9 Ų96.960%0.60248%0.479SS*.Hα-helixtrans-62.2-43.4174.6-122.6119.6000111.4E58 I59 K60 L65 D66E58-L62 PolarHBondContact O-N 3.01Å; I59-L62 WeakPolarHBondContact O-CB 3.27Å; I59-L62 PolarHBondContact O-N 3.28Å; K60-L62 VanDerWaalsContact C-N 3.3Å; K60-L62 PolarHBondContact O-N 2.91Å; L62-L65 WeakPolarHBondContact O-CB 3.37Å; L62-L65 PolarHBondContact O-N 2.82Å; L62-D66 PolarHBondContact O-N 3.36Å
63F46.8Very low46.8Very low73 Ų7394.4 Ų94.432%0.3247%0.473SS..Hα-helixtrans-68-41.4176.3-78.1-61.1000113.1H12 I59 K60 L65 D66 I67H12-F63 HydrophobicContact CB-CE1 4.46Å; I59-F63 HydrophobicContact CG2-CD2 3.53Å; I59-F63 HydrophobicContact CG2-CE2 3.28Å; I59-F63 HydrophobicContact CG2-CZ 4.45Å; I59-F63 WeakPolarHBondContact O-CD2 3.48Å; I59-F63 PolarHBondContact O-N 3.28Å; K60-F63 PolarHBondContact O-N 3.41Å; F63-L65 VanDerWaalsContact C-N 3.25Å; F63-L65 PolarHBondContact O-N 2.86Å; F63-D66 PolarHBondContact O-N 3.46Å; F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.24Å; F63-I67 WeakPolarHBondContact O-CG1 3.24Å; F63-I67 PolarHBondContact O-N 3Å
64D48Very low46.3Very low81 Ų8192.4 Ų92.443%0.43346%0.463SS..Hα-helixtrans-61.5-39.4176-73.4-19.2000109.9K60 N61 M68K60-D64 WeakPolarHBondContact CE-OD2 3.49Å; K60-D64 PolarHBondContact O-N 2.97Å; N61-D64 PolarHBondContact O-N 3.43Å; D64-M68 VanDerWaalsContact O-CB 3.23Å; D64-M68 WeakPolarHBondContact O-CB 3.41Å; D64-M68 PolarHBondContact O-N 3.41Å
65L48.9Very low46.2Very low110 Ų11089.7 Ų89.758%0.57646%0.455SS*.Hα-helixtrans-64.4-47.8173.9-160.3104.7000111.8N61 L62 F63 M68 V69N61-L65 WeakPolarHBondContact O-CB 3.36Å; N61-L65 PolarHBondContact O-N 3.46Å; L62-L65 WeakPolarHBondContact O-CB 3.37Å; L62-L65 PolarHBondContact O-N 2.82Å; F63-L65 VanDerWaalsContact C-N 3.25Å; F63-L65 PolarHBondContact O-N 2.86Å; L65-M68 PolarHBondContact O-N 2.85Å; L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.4Å; L65-V69 PolarHBondContact O-N 3.29Å
66D39.5Very low45.9Very low76 Ų7691.4 Ų91.441%0.40646%0.459SS..Hα-helixtrans-63.7-43.4179.3-81.9-21.5000111.9L62 F63 M68 V69 I70L62-D66 PolarHBondContact O-N 3.36Å; F63-D66 PolarHBondContact O-N 3.46Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 2.84Å; D66-V69 PolarHBondContact O-N 3.44Å; D66-I70 WeakPolarHBondContact O-CB 3.14Å; D66-I70 WeakPolarHBondContact O-CD1 3.31Å; D66-I70 WeakPolarHBondContact O-CG1 3.12Å; D66-I70 PolarHBondContact O-N 3.17Å
67I44.8Very low45.7Very low88 Ų8894 Ų9445%0.45147%0.467SS..Hα-helixtrans-63.2-39.6177.3-68.6168.1000110.3F63 H71F63-I67 WeakPolarHBondContact O-CB 3.29Å; F63-I67 VanDerWaalsContact O-CG1 3.24Å; F63-I67 WeakPolarHBondContact O-CG1 3.24Å; F63-I67 PolarHBondContact O-N 3Å; I67-H71 WeakPolarHBondContact O-CB 3.33Å; I67-H71 PolarHBondContact O-N 2.96Å; I67-H71 PolarHBondContact O-ND1 2.85Å
68M46.4Very low45.1Very low67 Ų6791.6 Ų91.633%0.3346%0.461SS..Hα-helixtrans-67.8-45.8177.5-175.2-179.8143.500111.6D64 L65 D66 I70 H71 I72 F113 I122D64-M68 VanDerWaalsContact O-CB 3.23Å; D64-M68 WeakPolarHBondContact O-CB 3.41Å; D64-M68 PolarHBondContact O-N 3.41Å; L65-M68 PolarHBondContact O-N 2.85Å; D66-M68 VanDerWaalsContact C-N 3.29Å; D66-M68 PolarHBondContact O-N 2.84Å; M68-I70 VanDerWaalsContact C-N 3.31Å; M68-I70 PolarHBondContact O-N 3.18Å; M68-H71 PolarHBondContact O-N 3.43Å; M68-I72 HydrophobicContact CE-CD1 3.75Å; M68-I72 HydrophobicContact CG-CD1 4Å; M68-I72 VanDerWaalsContact O-CG1 3.31Å; M68-I72 WeakPolarHBondContact O-CG1 3.31Å; M68-I72 PolarHBondContact O-N 3.01Å; M68-F113 HydrophobicContact CE-CE1 3.73Å; M68-I122 HydrophobicContact CE-CD1 4.1Å; M68-I122 HydrophobicContact CE-CG2 3.56Å; M68-I122 HydrophobicContact SD-CG2 4.01Å
69V45.4Very low44.7Very low87 Ų8789.8 Ų89.853%0.52746%0.455SS..Hα-helixtrans-62.1-40.4175.5172.20000110.9L65 D66 G73L65-V69 VanDerWaalsContact O-CG2 3.29Å; L65-V69 WeakPolarHBondContact O-CG2 3.4Å; L65-V69 PolarHBondContact O-N 3.29Å; D66-V69 PolarHBondContact O-N 3.44Å; V69-G73 PolarHBondContact O-N 2.86Å
70I40.2Very low44.8Very low80 Ų8090.3 Ų90.341%0.4146%0.46SS..Hα-helixtrans-64.5-43.6174.6-69.2165000110.5D66 M68 G73 M74D66-I70 WeakPolarHBondContact O-CB 3.14Å; D66-I70 WeakPolarHBondContact O-CD1 3.31Å; D66-I70 WeakPolarHBondContact O-CG1 3.12Å; D66-I70 PolarHBondContact O-N 3.17Å; M68-I70 VanDerWaalsContact C-N 3.31Å; M68-I70 PolarHBondContact O-N 3.18Å; I70-G73 PolarHBondContact O-N 2.81Å; I70-M74 HydrophobicContact CG2-CG 4.33Å; I70-M74 VanDerWaalsContact O-CG 3.31Å; I70-M74 WeakPolarHBondContact O-CG 3.23Å; I70-M74 PolarHBondContact O-N 3.32Å
71H44.5Very low44.5Very low103 Ų10388.7 Ų88.748%0.47746%0.455SS..Hα-helixtrans-61.9-47.9176.5-89.979.1000111.8I67 M68 G73 M74 I75I67-H71 WeakPolarHBondContact O-CB 3.33Å; I67-H71 PolarHBondContact O-N 2.96Å; I67-H71 PolarHBondContact O-ND1 2.85Å; M68-H71 PolarHBondContact O-N 3.43Å; H71-G73 VanDerWaalsContact C-N 3.29Å; H71-G73 PolarHBondContact O-N 3.26Å; H71-M74 PolarHBondContact O-N 3.24Å; H71-I75 VanDerWaalsContact O-CG1 3.25Å; H71-I75 WeakPolarHBondContact O-CG1 3.35Å; H71-I75 PolarHBondContact O-N 2.99Å
72I51.4Low44.1Very low79 Ų7989 Ų8941%0.40546%0.456SS..Hα-helixtrans-58.6-44.4175.6-67.2167.2000110.1M68 M74 I75 K76M68-I72 HydrophobicContact CE-CD1 3.75Å; M68-I72 HydrophobicContact CG-CD1 4Å; M68-I72 VanDerWaalsContact O-CG1 3.31Å; M68-I72 WeakPolarHBondContact O-CG1 3.31Å; M68-I72 PolarHBondContact O-N 3.01Å; I72-M74 PolarHBondContact O-N 3.42Å; I72-I75 PolarHBondContact O-N 2.95Å; I72-K76 PolarHBondContact O-N 3.49Å
73G41.6Very low44Very low25 Ų2585.3 Ų85.326%0.25844%0.437SS..Hα-helixtrans-59-47.4175.100000112.5V69 I70 H71 K76 F77V69-G73 PolarHBondContact O-N 2.86Å; I70-G73 PolarHBondContact O-N 2.81Å; H71-G73 VanDerWaalsContact C-N 3.29Å; H71-G73 PolarHBondContact O-N 3.26Å; G73-K76 PolarHBondContact O-N 3.15Å; G73-F77 WeakPolarHBondContact O-CD2 3.16Å; G73-F77 PolarHBondContact O-N 2.97Å
74M41Very low43.7Very low88 Ų8887.7 Ų87.743%0.43345%0.45SS..Hα-helixtrans-65.5-38.4177.9-68.5-153.3-34.400112.5I70 H71 I72 K76 F77 N78I70-M74 HydrophobicContact CG2-CG 4.33Å; I70-M74 VanDerWaalsContact O-CG 3.31Å; I70-M74 WeakPolarHBondContact O-CG 3.23Å; I70-M74 PolarHBondContact O-N 3.32Å; H71-M74 PolarHBondContact O-N 3.24Å; I72-M74 PolarHBondContact O-N 3.42Å; M74-K76 VanDerWaalsContact C-N 3.35Å; M74-F77 PolarHBondContact O-N 3.46Å; M74-N78 WeakPolarHBondContact O-CB 3.41Å; M74-N78 PolarHBondContact O-N 3.24Å
75I50.5Low43.3Very low91 Ų9189.5 Ų89.547%0.46745%0.454SS..Hα-helixtrans-61.1-46.5174.8-69.5164.7000109.6H71 I72 F77 N78 L79H71-I75 VanDerWaalsContact O-CG1 3.25Å; H71-I75 WeakPolarHBondContact O-CG1 3.35Å; H71-I75 PolarHBondContact O-N 2.99Å; I72-I75 PolarHBondContact O-N 2.95Å; I75-F77 PolarHBondContact O-N 3.34Å; I75-N78 PolarHBondContact O-N 3.44Å; I75-L79 HydrophobicContact CG2-CD1 3.82Å; I75-L79 WeakPolarHBondContact O-CB 3.19Å; I75-L79 PolarHBondContact O-N 3.31Å
76K41.3Very low42.8Very low130 Ų13086.8 Ų86.857%0.56544%0.441SS*.Hα-helixtrans-58.9-46175.3-173.8170-175.5157.50112.1I72 G73 M74 L79 V80I72-K76 PolarHBondContact O-N 3.49Å; G73-K76 PolarHBondContact O-N 3.15Å; M74-K76 VanDerWaalsContact C-N 3.35Å; K76-L79 PolarHBondContact O-N 2.93Å; K76-V80 HydrophobicContact CG-CG2 4.49Å; K76-V80 WeakPolarHBondContact O-CB 3.34Å; K76-V80 VanDerWaalsContact O-CG2 3.26Å; K76-V80 WeakPolarHBondContact O-CG2 3.08Å; K76-V80 PolarHBondContact O-N 3.5Å
77F40.5Very low42.5Very low136 Ų13685.2 Ų85.260%0.59644%0.439SS*.Hα-helixtrans-62.9-43.9177.7-83.2-68.7000112.3G73 M74 I75 V80 E81G73-F77 WeakPolarHBondContact O-CD2 3.16Å; G73-F77 PolarHBondContact O-N 2.97Å; M74-F77 PolarHBondContact O-N 3.46Å; I75-F77 PolarHBondContact O-N 3.34Å; F77-V80 PolarHBondContact O-N 3.19Å; F77-E81 WeakPolarHBondContact O-CB 3.1Å; F77-E81 PolarHBondContact O-N 2.94Å
78N40.9Very low42.1Very low94 Ų9486.4 Ų86.450%0.50345%0.45SS..Hα-helixtrans-65.3-42.3177.8-79.8-4.9000111.8M74 I75 E81 I82M74-N78 WeakPolarHBondContact O-CB 3.41Å; M74-N78 PolarHBondContact O-N 3.24Å; I75-N78 PolarHBondContact O-N 3.44Å; N78-E81 PolarHBondContact O-N 3.44Å; N78-I82 WeakPolarHBondContact O-CB 3.41Å; N78-I82 WeakPolarHBondContact O-CD1 3.4Å; N78-I82 WeakPolarHBondContact O-CG1 3.08Å; N78-I82 PolarHBondContact O-N 3.39Å
79L41.5Very low41.8Very low89 Ų8989.8 Ų89.847%0.46647%0.468SS..Hα-helixtrans-61.5-49176-85.6162.7000111.3I75 K76 E81 I82 V83I75-L79 HydrophobicContact CG2-CD1 3.82Å; I75-L79 WeakPolarHBondContact O-CB 3.19Å; I75-L79 PolarHBondContact O-N 3.31Å; K76-L79 PolarHBondContact O-N 2.93Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.33Å; L79-I82 PolarHBondContact O-N 2.85Å; L79-V83 WeakPolarHBondContact O-CB 3.44Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.25Å; L79-V83 PolarHBondContact O-N 2.89Å
80V44.9Very low41.1Very low65 Ų6590.8 Ų90.839%0.39447%0.467SS..Hα-helixtrans-60.3-42.1177.7172.60000110.9K76 F77 V83 Q84K76-V80 HydrophobicContact CG-CG2 4.49Å; K76-V80 WeakPolarHBondContact O-CB 3.34Å; K76-V80 VanDerWaalsContact O-CG2 3.26Å; K76-V80 WeakPolarHBondContact O-CG2 3.08Å; K76-V80 PolarHBondContact O-N 3.5Å; F77-V80 PolarHBondContact O-N 3.19Å; V80-V83 PolarHBondContact O-N 3.41Å; V80-Q84 HydrophobicContact CG1-CG 4.41Å; V80-Q84 WeakPolarHBondContact O-CB 3.25Å; V80-Q84 VanDerWaalsContact O-CG 3.23Å; V80-Q84 WeakPolarHBondContact O-CG 3.03Å; V80-Q84 PolarHBondContact O-N 2.93Å
81E40.2Very low41Very low92 Ų9296 Ų9643%0.4349%0.487SS..Hα-helixtrans-66-41.7178-168.2-177.4164.100112.2F77 N78 L79 K85F77-E81 WeakPolarHBondContact O-CB 3.1Å; F77-E81 PolarHBondContact O-N 2.94Å; N78-E81 PolarHBondContact O-N 3.44Å; L79-E81 VanDerWaalsContact C-N 3.31Å; L79-E81 PolarHBondContact O-N 3.33Å; E81-K85 HydrophobicContact CG-CD 4.5Å; E81-K85 WeakPolarHBondContact O-CB 2.92Å; E81-K85 WeakPolarHBondContact O-CG 3.39Å; E81-K85 PolarHBondContact O-N 3.18Å; E81-K85 VanDerWaalsContact OE1-CE 3.31Å; E81-K85 WeakPolarHBondContact OE1-CE 3.21Å; E81-K85 IonicContact OE1-NZ 2.66Å; E81-K85 PolarHBondContact OE1-NZ 2.88Å
82I42.7Very low40.5Very low101 Ų10196.6 Ų96.652%0.51850%0.498SS..Hα-helixtrans-64-48.1175.9-69.8164.8000110.1N78 L79 Q84 K85 V86N78-I82 WeakPolarHBondContact O-CB 3.41Å; N78-I82 WeakPolarHBondContact O-CD1 3.4Å; N78-I82 WeakPolarHBondContact O-CG1 3.08Å; N78-I82 PolarHBondContact O-N 3.39Å; L79-I82 PolarHBondContact O-N 2.85Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 2.77Å; I82-K85 PolarHBondContact O-N 3.38Å; I82-K85 VanDerWaalsContact O-N 3.14Å; I82-V86 HydrophobicContact CG2-CG2 4.21Å; I82-V86 WeakPolarHBondContact O-CG2 3.3Å; I82-V86 PolarHBondContact O-N 2.9Å
83V43.1Very low39.9Very low36 Ų36100.7 Ų100.722%0.21852%0.515CS..Hα-helixtrans-61.9-41.9179.7172.80000110.9L79 V80 K85 V86 A87 I98 I102L79-V83 WeakPolarHBondContact O-CB 3.44Å; L79-V83 VanDerWaalsContact O-CG2 3.25Å; L79-V83 WeakPolarHBondContact O-CG2 3.25Å; L79-V83 PolarHBondContact O-N 2.89Å; V80-V83 PolarHBondContact O-N 3.41Å; V83-K85 PolarHBondContact O-N 2.82Å; V83-V86 PolarHBondContact O-N 3.41Å; V83-A87 VanDerWaalsContact O-CB 3.24Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 2.77Å; V83-I98 HydrophobicContact CG1-CG2 4.17Å; V83-I98 HydrophobicContact CG2-CG2 3.86Å; V83-I102 HydrophobicContact CG2-CD1 4.35Å
84Q40.3Very low39.7Very low124 Ų124102.1 Ų102.158%0.57952%0.516SS*.Hα-helixtrans-61.8-43174.4-76.1177-4.800111.8V80 I82 V88V80-Q84 HydrophobicContact CG1-CG 4.41Å; V80-Q84 WeakPolarHBondContact O-CB 3.25Å; V80-Q84 VanDerWaalsContact O-CG 3.23Å; V80-Q84 WeakPolarHBondContact O-CG 3.03Å; V80-Q84 PolarHBondContact O-N 2.93Å; I82-Q84 VanDerWaalsContact C-N 3.33Å; I82-Q84 PolarHBondContact O-N 2.77Å; Q84-V88 WeakPolarHBondContact O-CG2 3.49Å; Q84-V88 PolarHBondContact O-N 2.79Å
85K39.4Very low39.6Very low118 Ų118101.3 Ų101.351%0.51352%0.519SS..Hα-helixtrans-65.1-42.4176.5-75.2176.5-174.6167.40112.1E81 I82 V83 V88 I89E81-K85 HydrophobicContact CG-CD 4.5Å; E81-K85 WeakPolarHBondContact O-CB 2.92Å; E81-K85 WeakPolarHBondContact O-CG 3.39Å; E81-K85 PolarHBondContact O-N 3.18Å; E81-K85 VanDerWaalsContact OE1-CE 3.31Å; E81-K85 WeakPolarHBondContact OE1-CE 3.21Å; E81-K85 IonicContact OE1-NZ 2.66Å; E81-K85 PolarHBondContact OE1-NZ 2.88Å; I82-K85 PolarHBondContact O-N 3.38Å; I82-K85 VanDerWaalsContact O-N 3.14Å; V83-K85 PolarHBondContact O-N 2.82Å; K85-V88 PolarHBondContact O-N 3.11Å; K85-I89 WeakPolarHBondContact O-CD1 3.14Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.39Å; K85-I89 PolarHBondContact O-N 2.82Å
86V37.9Very low39.1Very low53 Ų53103.3 Ų103.332%0.32153%0.526SS..Hα-helixtrans-66.6-42.4178174.20000111.2I82 V83 V88 I89 Q90I82-V86 HydrophobicContact CG2-CG2 4.21Å; I82-V86 WeakPolarHBondContact O-CG2 3.3Å; I82-V86 PolarHBondContact O-N 2.9Å; V83-V86 PolarHBondContact O-N 3.41Å; V86-V88 VanDerWaalsContact C-N 3.29Å; V86-V88 PolarHBondContact O-N 3.41Å; V86-I89 PolarHBondContact O-N 3.27Å; V86-I89 VanDerWaalsContact O-N 3.14Å; V86-Q90 PolarHBondContact O-N 2.84Å
87A33.2Very low38.9Very low43 Ų43104.5 Ų104.536%0.35553%0.528SS..Hα-helixtrans-64.9-31.4177.100000112.9V83 Q90V83-A87 VanDerWaalsContact O-CB 3.24Å; V83-A87 WeakPolarHBondContact O-CB 3.36Å; V83-A87 PolarHBondContact O-N 2.77Å; A87-Q90 CarbonylContact O-C 3.5Å; A87-Q90 VanDerWaalsContact O-O 3.14Å
88V38Very low38.6Very low114 Ų114100.3 Ų100.369%0.69151%0.511SS*.Hα-helixtrans-72.7-36.4173171.60000111.4Q84 K85 V86Q84-V88 WeakPolarHBondContact O-CG2 3.49Å; Q84-V88 PolarHBondContact O-N 2.79Å; K85-V88 PolarHBondContact O-N 3.11Å; V86-V88 VanDerWaalsContact C-N 3.29Å; V86-V88 PolarHBondContact O-N 3.41Å
89I39.1Very low38.6Very low137 Ų137100.1 Ų100.170%0.70351%0.51SS*.Hα-helixtrans-72.7-40.2179-68.7165.5000111.2K85 V86K85-I89 WeakPolarHBondContact O-CD1 3.14Å; K85-I89 VanDerWaalsContact O-CG1 3.25Å; K85-I89 WeakPolarHBondContact O-CG1 3.39Å; K85-I89 PolarHBondContact O-N 2.82Å; V86-I89 PolarHBondContact O-N 3.27Å; V86-I89 VanDerWaalsContact O-N 3.14Å
90Q31.9Very low38.7Very low109 Ų109100.9 Ų100.951%0.50951%0.511SS..SBendtrans-107.384.7178.3-65-170.8-200109.1V86 A87 V92V86-Q90 PolarHBondContact O-N 2.84Å; A87-Q90 CarbonylContact O-C 3.5Å; A87-Q90 VanDerWaalsContact O-O 3.14Å; Q90-V92 PolarHBondContact O-N 3.02Å
91K37.7Very low38.3Very low189 Ų189101.6 Ų101.682%0.82251%0.51SS*.  trans-47.8111.3170.2-78.5-178.1176.7177.70109
92V34.4Very low38.1Very low116 Ų11699.7 Ų99.770%0.70350%0.502SS*.SBendtrans87.2131.2163.4-162.90000116Q90Q90-V92 PolarHBondContact O-N 3.02Å
93H39Very low37.9Very low165 Ų16599.4 Ų99.476%0.76450%0.502SS*.SBendtrans93.6-18165.5-93.2-70.8000122.6
94I35.4Very low37.9Very low54 Ų54102.2 Ų102.228%0.27751%0.514SS..Hα-helixtrans-80.6-24.3-178.1-66.5-176.3000113.6H96 Y97 I98I94-H96 PolarHBondContact O-N 3.5Å; I94-H96 VanDerWaalsContact O-N 3.12Å; I94-Y97 PolarHBondContact O-N 2.91Å; I94-I98 HydrophobicContact CG2-CB 4.27Å; I94-I98 HydrophobicContact CG2-CD1 3.13Å; I94-I98 HydrophobicContact CG2-CG1 3.42Å; I94-I98 VanDerWaalsContact CG2-CG1 3.42Å; I94-I98 PolarHBondContact O-N 3.34Å
95S39.6Very low37.8Very low72 Ų7299 Ų9950%0.50350%0.503SS..Hα-helixtrans-55.8-38.6-172.859.70000112.7L99S95-L99 WeakPolarHBondContact O-CB 3.48Å; S95-L99 VanDerWaalsContact O-CD1 3.29Å; S95-L99 WeakPolarHBondContact O-CD1 3.23Å; S95-L99 VanDerWaalsContact O-CG 3.3Å; S95-L99 WeakPolarHBondContact O-CG 3.27Å; S95-L99 PolarHBondContact O-N 2.96Å
96H40.6Very low37.7Very low133 Ų13396.5 Ų96.562%0.61650%0.495SS*.Hα-helixtrans-75.4-45-177.4-150.634.9000112.7I94 I98 L99 E100I94-H96 PolarHBondContact O-N 3.5Å; I94-H96 VanDerWaalsContact O-N 3.12Å; H96-I98 PolarHBondContact O-N 3.23Å; H96-L99 PolarHBondContact O-N 3.29Å; H96-E100 PolarHBondContact O-N 2.91Å
97Y37.1Very low37.7Very low154 Ų154101 Ų10160%0.60451%0.512SS*.Hα-helixtrans-64.5-39.3178.4-173-97.3000112I94 Q101I94-Y97 PolarHBondContact O-N 2.91Å; Y97-Q101 HydrophobicContact CD1-CG 4.43Å; Y97-Q101 HydrophobicContact CE1-CG 4.2Å; Y97-Q101 VanDerWaalsContact O-CG 3.3Å; Y97-Q101 WeakPolarHBondContact O-CG 3.25Å; Y97-Q101 PolarHBondContact O-N 2.96Å; Y97-Q101 VanDerWaalsContact O-N 3.16Å
98I34.2Very low37.7Very low48 Ų48104.5 Ų104.525%0.24652%0.523CS..Hα-helixtrans-75.1-36.5177.2-68.4-172.3000111.9V83 I94 H96 E100 Q101 I102V83-I98 HydrophobicContact CG1-CG2 4.17Å; V83-I98 HydrophobicContact CG2-CG2 3.86Å; I94-I98 HydrophobicContact CG2-CB 4.27Å; I94-I98 HydrophobicContact CG2-CD1 3.13Å; I94-I98 HydrophobicContact CG2-CG1 3.42Å; I94-I98 VanDerWaalsContact CG2-CG1 3.42Å; I94-I98 PolarHBondContact O-N 3.34Å; H96-I98 PolarHBondContact O-N 3.23Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.48Å; I98-Q101 PolarHBondContact O-N 3.48Å; I98-Q101 VanDerWaalsContact O-N 3.16Å; I98-I102 HydrophobicContact CG2-CD1 3.84Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CG1 3.43Å; I98-I102 PolarHBondContact O-N 3.26Å
99L39.8Very low37.5Very low90 Ų90101.8 Ų101.847%0.47150%0.504SS..Hα-helixtrans-59.9-43.2173.6-88.1158.3000111S95 H96 Q101 I102 D103S95-L99 WeakPolarHBondContact O-CB 3.48Å; S95-L99 VanDerWaalsContact O-CD1 3.29Å; S95-L99 WeakPolarHBondContact O-CD1 3.23Å; S95-L99 VanDerWaalsContact O-CG 3.3Å; S95-L99 WeakPolarHBondContact O-CG 3.27Å; S95-L99 PolarHBondContact O-N 2.96Å; H96-L99 PolarHBondContact O-N 3.29Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.34Å; L99-I102 PolarHBondContact O-N 3.45Å; L99-D103 WeakPolarHBondContact O-CB 3.43Å; L99-D103 PolarHBondContact O-N 3.43Å
100E43.7Very low37.3Very low105 Ų105100.8 Ų100.849%0.49150%0.498SS..Hα-helixtrans-61.2-38.9173.4-81.5-175.9155.100112.5H96 I98 D103 M104H96-E100 PolarHBondContact O-N 2.91Å; I98-E100 VanDerWaalsContact C-N 3.31Å; I98-E100 PolarHBondContact O-N 3.48Å; E100-D103 PolarHBondContact O-N 2.88Å; E100-M104 WeakPolarHBondContact O-CB 3.35Å; E100-M104 VanDerWaalsContact O-CG 3.3Å; E100-M104 WeakPolarHBondContact O-CG 3.36Å; E100-M104 PolarHBondContact O-N 3.35Å
101Q36.9Very low37.5Very low80 Ų80101.4 Ų101.437%0.37450%0.501SS..Hα-helixtrans-66.8-38.3175.3-66.6-68.6-19.100112Y97 I98 L99 M104 V105Y97-Q101 HydrophobicContact CD1-CG 4.43Å; Y97-Q101 HydrophobicContact CE1-CG 4.2Å; Y97-Q101 VanDerWaalsContact O-CG 3.3Å; Y97-Q101 WeakPolarHBondContact O-CG 3.25Å; Y97-Q101 PolarHBondContact O-N 2.96Å; Y97-Q101 VanDerWaalsContact O-N 3.16Å; I98-Q101 PolarHBondContact O-N 3.48Å; I98-Q101 VanDerWaalsContact O-N 3.16Å; L99-Q101 VanDerWaalsContact C-N 3.32Å; L99-Q101 PolarHBondContact O-N 3.34Å; Q101-M104 VanDerWaalsContact CD-CE 3.43Å; Q101-M104 HydrophobicContact CG-CE 4.23Å; Q101-V105 WeakPolarHBondContact O-CB 3.47Å; Q101-V105 WeakPolarHBondContact O-CG2 3.26Å; Q101-V105 PolarHBondContact O-N 2.85Å
102I35.8Very low37.4Very low53 Ų5395.3 Ų95.327%0.27248%0.478SS..Hα-helixtrans-67.5-43.1175.3-67.5169.6000110.4V83 I98 L99 V105 D106V83-I102 HydrophobicContact CG2-CD1 4.35Å; I98-I102 HydrophobicContact CG2-CD1 3.84Å; I98-I102 HydrophobicContact CG2-CG1 4.22Å; I98-I102 WeakPolarHBondContact O-CG1 3.43Å; I98-I102 PolarHBondContact O-N 3.26Å; L99-I102 PolarHBondContact O-N 3.45Å; I102-V105 CarbonylContact O-C 3.35Å; I102-V105 PolarHBondContact O-N 3.39Å; I102-D106 PolarHBondContact O-N 2.98Å
103D39.7Very low37.4Very low94 Ų9492.4 Ų92.450%0.50346%0.456SS..Hα-helixtrans-65.7-39.2177.6-74.5-18.8000111.1L99 E100 V105 D106 E107L99-D103 WeakPolarHBondContact O-CB 3.43Å; L99-D103 PolarHBondContact O-N 3.43Å; E100-D103 PolarHBondContact O-N 2.88Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.31Å; D103-D106 PolarHBondContact O-N 2.87Å; D103-E107 PolarHBondContact O-N 2.66Å
104M42.3Very low37.4Very low96 Ų9693 Ų9347%0.47346%0.456SS..Hα-helixtrans-63.9-37.8171.9-77.8-171.7-71.100112E100 Q101 M108E100-M104 WeakPolarHBondContact O-CB 3.35Å; E100-M104 VanDerWaalsContact O-CG 3.3Å; E100-M104 WeakPolarHBondContact O-CG 3.36Å; E100-M104 PolarHBondContact O-N 3.35Å; Q101-M104 VanDerWaalsContact CD-CE 3.43Å; Q101-M104 HydrophobicContact CG-CE 4.23Å; M104-M108 VanDerWaalsContact O-CB 3.25Å; M104-M108 WeakPolarHBondContact O-CB 3.5Å; M104-M108 PolarHBondContact O-N 2.85Å
105V39.4Very low37.5Very low57 Ų5797.5 Ų97.535%0.34548%0.476SS..Hα-helixtrans-68.7-40.1173.9170.10000110.7Q101 I102 D103 M108 I109Q101-V105 WeakPolarHBondContact O-CB 3.47Å; Q101-V105 WeakPolarHBondContact O-CG2 3.26Å; Q101-V105 PolarHBondContact O-N 2.85Å; I102-V105 CarbonylContact O-C 3.35Å; I102-V105 PolarHBondContact O-N 3.39Å; D103-V105 VanDerWaalsContact C-N 3.33Å; D103-V105 PolarHBondContact O-N 3.31Å; V105-M108 PolarHBondContact O-N 3.49Å; V105-I109 HydrophobicContact CG1-CD1 3.5Å; V105-I109 VanDerWaalsContact CG1-CD1 3.5Å; V105-I109 HydrophobicContact CG1-CG1 4.09Å; V105-I109 WeakPolarHBondContact O-CB 3.47Å; V105-I109 WeakPolarHBondContact O-CG1 3.21Å; V105-I109 PolarHBondContact O-N 2.82Å
106D36.5Very low37.4Very low64 Ų6495.4 Ų95.434%0.34246%0.46SS..Hα-helixtrans-63.1-42.3174.8-87.1-8.7000110.6I102 D103 I110I102-D106 PolarHBondContact O-N 2.98Å; D103-D106 PolarHBondContact O-N 2.87Å; D106-I110 VanDerWaalsContact O-CB 3.25Å; D106-I110 WeakPolarHBondContact O-CB 3.44Å; D106-I110 WeakPolarHBondContact O-CD1 3.29Å; D106-I110 WeakPolarHBondContact O-CG1 3.25Å; D106-I110 PolarHBondContact O-N 3.37Å
107E38.1Very low37.5Very low149 Ų14997.3 Ų97.370%0.69647%0.474SS*.Hα-helixtrans-66.6-42.1173.9-78.5-166.4167.800112.4D103 I110 H111D103-E107 PolarHBondContact O-N 2.66Å; E107-I110 PolarHBondContact O-N 3.35Å; E107-H111 WeakPolarHBondContact O-CB 3.19Å; E107-H111 PolarHBondContact O-N 2.85Å
108M33.3Very low37.5Very low116 Ų11694.2 Ų94.257%0.57147%0.468SS*.Hα-helixtrans-67.9-40.3179.3-154.717984.400111.2M104 V105 D112M104-M108 VanDerWaalsContact O-CB 3.25Å; M104-M108 WeakPolarHBondContact O-CB 3.5Å; M104-M108 PolarHBondContact O-N 2.85Å; V105-M108 PolarHBondContact O-N 3.49Å; M108-D112 VanDerWaalsContact O-CB 3.3Å; M108-D112 WeakPolarHBondContact O-CB 3.41Å; M108-D112 PolarHBondContact O-N 2.93Å
109I33.5Very low37.8Very low57 Ų5796.3 Ų96.329%0.29249%0.485SS..Hα-helixtrans-63.8-49.5172.4-71.4173.5000109.5V105 H111 F113V105-I109 HydrophobicContact CG1-CD1 3.5Å; V105-I109 VanDerWaalsContact CG1-CD1 3.5Å; V105-I109 HydrophobicContact CG1-CG1 4.09Å; V105-I109 WeakPolarHBondContact O-CB 3.47Å; V105-I109 WeakPolarHBondContact O-CG1 3.21Å; V105-I109 PolarHBondContact O-N 2.82Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.45Å; I109-F113 HydrophobicContact CB-CD2 4.37Å; I109-F113 HydrophobicContact CB-CE2 4.35Å; I109-F113 HydrophobicContact CG2-CD2 3.68Å; I109-F113 HydrophobicContact CG2-CE2 3.59Å; I109-F113 HydrophobicContact CG2-CG 4.42Å; I109-F113 HydrophobicContact CG2-CZ 4.3Å; I109-F113 WeakPolarHBondContact O-CB 3.3Å; I109-F113 WeakPolarHBondContact O-CD2 3.47Å; I109-F113 WeakPolarHBondContact O-CG 3.31Å; I109-F113 PolarHBondContact O-N 3.41Å
110I34.3Very low37.8Very low115 Ų11598 Ų9859%0.5949%0.492SS*.Hα-helixtrans-66.9-37.2-178.1-67.9165.1000111.4D106 E107 K114D106-I110 VanDerWaalsContact O-CB 3.25Å; D106-I110 WeakPolarHBondContact O-CB 3.44Å; D106-I110 WeakPolarHBondContact O-CD1 3.29Å; D106-I110 WeakPolarHBondContact O-CG1 3.25Å; D106-I110 PolarHBondContact O-N 3.37Å; E107-I110 PolarHBondContact O-N 3.35Å; I110-K114 PolarHBondContact O-N 3.19Å
111H36.7Very low37.4Very low122 Ų12295.5 Ų95.557%0.56548%0.484SS*.Hα-helixtrans-70.6-46.5179.1-173.3-85.3000111.9E107 I109 K114E107-H111 WeakPolarHBondContact O-CB 3.19Å; E107-H111 PolarHBondContact O-N 2.85Å; I109-H111 VanDerWaalsContact C-N 3.34Å; I109-H111 PolarHBondContact O-N 3.45Å; H111-K114 PolarHBondContact O-N 3.18Å
112D36.3Very low37.5Very low62 Ų6292.9 Ų92.933%0.33247%0.472SS..Hα-helixtrans-69.7-39177.6-79.1-11.6000111.3M108 K114 H115 V116 I125M108-D112 VanDerWaalsContact O-CB 3.3Å; M108-D112 WeakPolarHBondContact O-CB 3.41Å; M108-D112 PolarHBondContact O-N 2.93Å; D112-K114 PolarHBondContact O-N 3Å; D112-H115 PolarHBondContact O-N 2.85Å; D112-V116 WeakPolarHBondContact O-CB 3.2Å; D112-V116 WeakPolarHBondContact O-CG2 3.48Å; D112-V116 PolarHBondContact O-N 2.96Å; D112-I125 HydrophobicContact CB-CD1 3.87Å
113F34Very low37.5Very low55 Ų5594.8 Ų94.824%0.24149%0.486CS..Hα-helixtrans-67.6-22.6179.7-81.4-112.6000113.3M68 I109 H115 I122 I125M68-F113 HydrophobicContact CE-CE1 3.73Å; I109-F113 HydrophobicContact CB-CD2 4.37Å; I109-F113 HydrophobicContact CB-CE2 4.35Å; I109-F113 HydrophobicContact CG2-CD2 3.68Å; I109-F113 HydrophobicContact CG2-CE2 3.59Å; I109-F113 HydrophobicContact CG2-CG 4.42Å; I109-F113 HydrophobicContact CG2-CZ 4.3Å; I109-F113 WeakPolarHBondContact O-CB 3.3Å; I109-F113 WeakPolarHBondContact O-CD2 3.47Å; I109-F113 WeakPolarHBondContact O-CG 3.31Å; I109-F113 PolarHBondContact O-N 3.41Å; F113-H115 PolarHBondContact O-N 2.81Å; F113-I122 HydrophobicContact CD1-CD1 3.85Å; F113-I122 HydrophobicContact CD1-CG1 3.91Å; F113-I122 HydrophobicContact CE1-CB 4.07Å; F113-I122 HydrophobicContact CE1-CD1 3.67Å; F113-I122 HydrophobicContact CE1-CG1 3.54Å; F113-I122 HydrophobicContact CE1-CG2 3.56Å; F113-I122 HydrophobicContact CZ-CB 4.25Å; F113-I122 HydrophobicContact CZ-CG1 4.07Å; F113-I122 HydrophobicContact CZ-CG2 3.68Å; F113-I125 HydrophobicContact CE2-CD1 4.45Å
114K38Very low37.3Very low176 Ų17696.7 Ų96.777%0.76549%0.49SS*.THydrogen-bonded Turntrans-72.2-18.4176.9-135.7177.1-174.2179.40113.6I110 H111 D112I110-K114 PolarHBondContact O-N 3.19Å; H111-K114 PolarHBondContact O-N 3.18Å; D112-K114 PolarHBondContact O-N 3Å
115H38.4Very low37.1Very low150 Ų15093.4 Ų93.469%0.69447%0.474SS*.THydrogen-bonded Turntrans-113.43.7178.4-69.6-49.5000113.6D112 F113D112-H115 PolarHBondContact O-N 2.85Å; F113-H115 PolarHBondContact O-N 2.81Å
116V36.2Very low36.9Very low28 Ų2893.4 Ų93.417%0.1748%0.476CS..  trans-106.885.8-177.2172.30000109.2D112 D118 V121 I122D112-V116 WeakPolarHBondContact O-CB 3.2Å; D112-V116 WeakPolarHBondContact O-CG2 3.48Å; D112-V116 PolarHBondContact O-N 2.96Å; V116-D118 WeakPolarHBondContact CG1-O 3.36Å; V116-D118 PolarHBondContact O-N 3.11Å; V116-V121 HydrophobicContact CB-CG1 4.41Å; V116-V121 HydrophobicContact CG1-CB 3.53Å; V116-V121 HydrophobicContact CG1-CG1 3.87Å; V116-V121 HydrophobicContact CG1-CG2 4.43Å; V116-V121 HydrophobicContact CG2-CB 4.07Å; V116-V121 HydrophobicContact CG2-CG1 3.55Å; V116-I122 HydrophobicContact CG1-CD1 4.44Å; V116-I122 HydrophobicContact CG1-CG1 3.77Å
117D43.1Very low36.8Very low173 Ų17396.9 Ų96.993%0.92549%0.488SS*.  trans-73.2-6.2163.4-74.7-44.5000112.1P119D117-P119 WeakPolarHBondContact O-CD 3.24Å
118D38.4Very low36.6Very low88 Ų8895.4 Ų95.447%0.47148%0.484SS..  trans-100.8107.9-177.3-164.6-24.6000111.8V116 M120 V121V116-D118 WeakPolarHBondContact CG1-O 3.36Å; V116-D118 PolarHBondContact O-N 3.11Å; D118-M120 PolarHBondContact O-N 3.25Å; D118-M120 WeakPolarHBondContact OD1-CB 3.5Å; D118-M120 PolarHBondContact OD1-N 3.06Å; D118-V121 HydrophobicContact CB-CG2 4.3Å; D118-V121 PolarHBondContact O-N 2.86Å
119P39.9Very low36.8Very low92 Ų9293.9 Ų93.960%0.59748%0.481SS*.Hα-helixtrans-57.4-20.1178.422.7-32.6000113.4D117 V121 I122 V123D117-P119 WeakPolarHBondContact O-CD 3.24Å; P119-V121 VanDerWaalsContact C-N 3.32Å; P119-V121 PolarHBondContact O-N 3.17Å; P119-I122 PolarHBondContact O-N 3.31Å; P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 3.28Å; P119-V123 VanDerWaalsContact O-N 3.15Å
120M38.7Very low36.9Very low126 Ų12699.7 Ų99.762%0.62151%0.505SS*.Hα-helixtrans-68-32.1176.1-157.474168.600112.6D118 V123 K124D118-M120 PolarHBondContact O-N 3.25Å; D118-M120 WeakPolarHBondContact OD1-CB 3.5Å; D118-M120 PolarHBondContact OD1-N 3.06Å; M120-V123 PolarHBondContact O-N 3.39Å; M120-K124 PolarHBondContact O-N 3.38Å
121V35.4Very low36.7Very low53 Ų53100.8 Ų100.832%0.32151%0.511SS..Hα-helixtrans-75-36.7177.8174.90000110.4V116 D118 P119 V123 K124 I125V116-V121 HydrophobicContact CB-CG1 4.41Å; V116-V121 HydrophobicContact CG1-CB 3.53Å; V116-V121 HydrophobicContact CG1-CG1 3.87Å; V116-V121 HydrophobicContact CG1-CG2 4.43Å; V116-V121 HydrophobicContact CG2-CB 4.07Å; V116-V121 HydrophobicContact CG2-CG1 3.55Å; D118-V121 HydrophobicContact CB-CG2 4.3Å; D118-V121 PolarHBondContact O-N 2.86Å; P119-V121 VanDerWaalsContact C-N 3.32Å; P119-V121 PolarHBondContact O-N 3.17Å; V121-V123 VanDerWaalsContact C-N 3.31Å; V121-V123 PolarHBondContact O-N 2.84Å; V121-K124 WeakPolarHBondContact O-CB 3.32Å; V121-K124 PolarHBondContact O-N 3.37Å; V121-K124 VanDerWaalsContact O-N 3.11Å; V121-I125 HydrophobicContact CG1-CD1 3.94Å; V121-I125 HydrophobicContact CG1-CG1 4.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.25Å; V121-I125 PolarHBondContact O-N 2.83Å
122I39.2Very low36.3Very low25 Ų25105.5 Ų105.513%0.12854%0.536CS..Hα-helixtrans-56.6-47.1171.1-63.4177.2000110.4M68 F113 V116 P119 K124 I125 C126M68-I122 HydrophobicContact CE-CD1 4.1Å; M68-I122 HydrophobicContact CE-CG2 3.56Å; M68-I122 HydrophobicContact SD-CG2 4.01Å; F113-I122 HydrophobicContact CD1-CD1 3.85Å; F113-I122 HydrophobicContact CD1-CG1 3.91Å; F113-I122 HydrophobicContact CE1-CB 4.07Å; F113-I122 HydrophobicContact CE1-CD1 3.67Å; F113-I122 HydrophobicContact CE1-CG1 3.54Å; F113-I122 HydrophobicContact CE1-CG2 3.56Å; F113-I122 HydrophobicContact CZ-CB 4.25Å; F113-I122 HydrophobicContact CZ-CG1 4.07Å; F113-I122 HydrophobicContact CZ-CG2 3.68Å; V116-I122 HydrophobicContact CG1-CD1 4.44Å; V116-I122 HydrophobicContact CG1-CG1 3.77Å; P119-I122 PolarHBondContact O-N 3.31Å; I122-K124 VanDerWaalsContact C-N 3.34Å; I122-K124 PolarHBondContact O-N 3.49Å; I122-I125 PolarHBondContact O-N 3.14Å; I122-C126 WeakPolarHBondContact O-CB 3.3Å; I122-C126 PolarHBondContact O-N 3.42Å; I122-C126 PolarHBondContact O-SG 3.01Å; I122-C126 VanDerWaalsContact O-SG 3.34Å
123V36.4Very low36.3Very low93 Ų93107.7 Ų107.756%0.56455%0.547SS*.Hα-helixtrans-61.5-42176173.90000111.3P119 M120 V121 F127P119-V123 WeakPolarHBondContact O-CG2 3.22Å; P119-V123 PolarHBondContact O-N 3.28Å; P119-V123 VanDerWaalsContact O-N 3.15Å; M120-V123 PolarHBondContact O-N 3.39Å; V121-V123 VanDerWaalsContact C-N 3.31Å; V121-V123 PolarHBondContact O-N 2.84Å; V123-F127 VanDerWaalsContact O-CB 3.27Å; V123-F127 WeakPolarHBondContact O-CB 3.47Å; V123-F127 PolarHBondContact O-N 3.47Å
124K36Very low36.4Very low134 Ų134110.5 Ų110.558%0.58356%0.563SS**Hα-helixtrans-63.9-43.3176.6-79.8-177.9178.8179.10112.7M120 V121 I122 F127 L128M120-K124 PolarHBondContact O-N 3.38Å; V121-K124 WeakPolarHBondContact O-CB 3.32Å; V121-K124 PolarHBondContact O-N 3.37Å; V121-K124 VanDerWaalsContact O-N 3.11Å; I122-K124 VanDerWaalsContact C-N 3.34Å; I122-K124 PolarHBondContact O-N 3.49Å; K124-F127 PolarHBondContact O-N 3.45Å; K124-L128 WeakPolarHBondContact O-CB 3.35Å; K124-L128 PolarHBondContact O-N 3.16Å
125I37.2Very low36.4Very low26 Ų26106.8 Ų106.813%0.13355%0.551CS.*Hα-helixtrans-62.3-51.8177.8-67.3168.2000109D112 F113 V121 I122 F127 L128 T129D112-I125 HydrophobicContact CB-CD1 3.87Å; F113-I125 HydrophobicContact CE2-CD1 4.45Å; V121-I125 HydrophobicContact CG1-CD1 3.94Å; V121-I125 HydrophobicContact CG1-CG1 4.32Å; V121-I125 WeakPolarHBondContact O-CG1 3.25Å; V121-I125 PolarHBondContact O-N 2.83Å; I122-I125 PolarHBondContact O-N 3.14Å; I125-F127 PolarHBondContact O-N 3.35Å; I125-L128 PolarHBondContact O-N 3.16Å; I125-L128 VanDerWaalsContact O-N 3.11Å; I125-T129 PolarHBondContact O-N 3.12Å; I125-T129 PolarHBondContact O-OG1 2.98Å
126C36.4Very low36.2Very low57 Ų57104.3 Ų104.339%0.38554%0.543SS..Hα-helixtrans-57.7-35.9176.8-68.80000112.9I122 F130I122-C126 WeakPolarHBondContact O-CB 3.3Å; I122-C126 PolarHBondContact O-N 3.42Å; I122-C126 PolarHBondContact O-SG 3.01Å; I122-C126 VanDerWaalsContact O-SG 3.34Å; C126-F130 PolarHBondContact O-N 3.06Å
127F34.3Very low36.2Very low137 Ų137109.1 Ų109.160%0.60157%0.566SS**Hα-helixtrans-72.6-38.5177.1-160.1-91.6000112.4V123 K124 I125 F130 L131V123-F127 VanDerWaalsContact O-CB 3.27Å; V123-F127 WeakPolarHBondContact O-CB 3.47Å; V123-F127 PolarHBondContact O-N 3.47Å; K124-F127 PolarHBondContact O-N 3.45Å; I125-F127 PolarHBondContact O-N 3.35Å; F127-F130 WeakPolarHBondContact O-CB 3.3Å; F127-F130 PolarHBondContact O-N 3.26Å; F127-L131 HydrophobicContact CE1-CD1 3.95Å; F127-L131 PolarHBondContact O-N 2.87Å
128L33.7Very low35.8Very low119 Ų119104.8 Ų104.862%0.62354%0.542SS*.Hα-helixtrans-65.6-40.6175.4-106.7119.9000111.8K124 I125 F130 L131K124-L128 WeakPolarHBondContact O-CB 3.35Å; K124-L128 PolarHBondContact O-N 3.16Å; I125-L128 PolarHBondContact O-N 3.16Å; I125-L128 VanDerWaalsContact O-N 3.11Å; L128-F130 PolarHBondContact O-N 2.94Å; L128-L131 PolarHBondContact O-N 3.14Å
129T37.5Very low35.6Very low83 Ų83106 Ų10651%0.50955%0.548SS..Hα-helixtrans-65.2-24.1175.8-24.80000112.4I125I125-T129 PolarHBondContact O-N 3.12Å; I125-T129 PolarHBondContact O-OG1 2.98Å
130F33.8Very low35.3Very low179 Ų179107.1 Ų107.179%0.78554%0.544SS*.Hα-helixtrans-81.8-20.3177.3-161.6-92.1000113.2C126 F127 L128C126-F130 PolarHBondContact O-N 3.06Å; F127-F130 WeakPolarHBondContact O-CB 3.3Å; F127-F130 PolarHBondContact O-N 3.26Å; L128-F130 PolarHBondContact O-N 2.94Å
131L30.5Very low35Very low138 Ų138105.5 Ų105.572%0.72354%0.537SS*.Hα-helixtrans-93.5-13-176.2-141.9108.7000113.7F127 L128F127-L131 HydrophobicContact CE1-CD1 3.95Å; F127-L131 PolarHBondContact O-N 2.87Å; L128-L131 PolarHBondContact O-N 3.14Å
132M29.5Very low35Very low222 Ų222110.3 Ų110.3100%1.09456%0.557SS**  trans-92.40172.6-65.6-167.475.700110.9

Retrieved 132 of 132 residues in 83.9 ms (Link to these results)

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