Y1552_DROME Loading...

Uncharacterized protein CG1552

AlphaFold DB , UniProt , Accession Q9VZ40, Species DROME (Drosophila melanogaster, Fruit fly), Gene n/a, Length 184 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
1M54.6Low70.7Confident213 Ų213137.4 Ų137.4100%1.04965%0.649SS**  0-30.90-66.1179.979.100113.5Q3 L4M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.91Å; M1-L4 PolarHBondContact O-N 2.97Å
2Y58.1Low71.4Confident192 Ų192131.4 Ų131.475%0.75363%0.632SS**Hα-helixtrans-63.6-19.3-177.8-79-81.4000118.1K6Y2-K6 WeakPolarHBondContact O-CG 3.44Å
3Q65Low71.8Confident138 Ų138130.5 Ų130.565%0.64563%0.632SS**Hα-helixtrans-83-31.2-179.7-71.7-69.911.300113.1M1 K6 I7M1-Q3 VanDerWaalsContact C-N 3.34Å; M1-Q3 PolarHBondContact O-N 2.91Å; Q3-K6 PolarHBondContact O-N 2.01Å; Q3-I7 WeakPolarHBondContact O-CD1 2.97Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.46Å
4L66.1Low72Confident119 Ų119125.4 Ų125.462%0.62362%0.621SS**Hα-helixtrans-69.8-38.7179.3-107.4135.2000111.6M1 K6 I7 W8M1-L4 PolarHBondContact O-N 2.97Å; L4-K6 PolarHBondContact O-N 3.03Å; L4-I7 PolarHBondContact O-N 3.44Å; L4-W8 PolarHBondContact O-N 3.38Å
5E69.1Low72.3Confident141 Ų141123.4 Ų123.466%0.65961%0.613SS**Hα-helixtrans-66.5-37.1176.5-66.1-152.8153.400112.7I7 W8 V9E5-I7 VanDerWaalsContact C-N 3.33Å; E5-I7 PolarHBondContact O-N 3.44Å; E5-W8 PolarHBondContact O-N 3.34Å; E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.73Å
6K73.2Confident72.5Confident130 Ų130122.1 Ų122.157%0.56561%0.614SS**Hα-helixtrans-64.4-38176-70.7-176.3179.8-173.40112.3Y2 Q3 L4 L10Y2-K6 WeakPolarHBondContact O-CG 3.44Å; Q3-K6 PolarHBondContact O-N 2.01Å; L4-K6 PolarHBondContact O-N 3.03Å; K6-L10 PolarHBondContact O-N 2.02Å; K6-L10 VanDerWaalsContact O-N 3.11Å
7I77.9Confident72.3Confident100 Ų100117.6 Ų117.651%0.51361%0.606SS.*Hα-helixtrans-68-42.4176.6-65.6165.2000110.4Q3 L4 E5 L10 L11Q3-I7 WeakPolarHBondContact O-CD1 2.97Å; Q3-I7 WeakPolarHBondContact O-CG1 3.44Å; Q3-I7 PolarHBondContact O-N 3.46Å; L4-I7 PolarHBondContact O-N 3.44Å; E5-I7 VanDerWaalsContact C-N 3.33Å; E5-I7 PolarHBondContact O-N 3.44Å; I7-L10 PolarHBondContact O-N 3.38Å; I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 PolarHBondContact O-N 3.25Å
8W77.8Confident72.4Confident169 Ų169116.9 Ų116.964%0.6461%0.607SS**Hα-helixtrans-64.3-40.9176.5-91.290000113L4 E5 L11 C12L4-W8 PolarHBondContact O-N 3.38Å; E5-W8 PolarHBondContact O-N 3.34Å; W8-L11 PolarHBondContact O-N 3.33Å; W8-C12 WeakPolarHBondContact O-CB 3.43Å; W8-C12 PolarHBondContact O-N 3.49Å; W8-C12 PolarHBondContact O-SG 2.92Å; W8-C12 VanDerWaalsContact O-SG 3.41Å
9V79.1Confident72.1Confident90 Ų90117.2 Ų117.255%0.54561%0.609SS.*Hα-helixtrans-64.6-41.7176.7171.70000111.4E5 L11 C12 L13E5-V9 VanDerWaalsContact O-CG2 3.28Å; E5-V9 WeakPolarHBondContact O-CG2 3.45Å; E5-V9 PolarHBondContact O-N 2.73Å; V9-L11 VanDerWaalsContact C-N 3.35Å; V9-C12 PolarHBondContact O-N 2.74Å; V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 PolarHBondContact O-N 3.43Å
10L76.8Confident71.6Confident123 Ų123113.5 Ų113.564%0.64460%0.601SS**Hα-helixtrans-64-38.7175-87.3160.6000112.4K6 I7 L13 A14K6-L10 PolarHBondContact O-N 2.02Å; K6-L10 VanDerWaalsContact O-N 3.11Å; I7-L10 PolarHBondContact O-N 3.38Å; L10-L13 PolarHBondContact O-N 2.92Å; L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.27Å
11L79.6Confident71.3Confident96 Ų96114.5 Ų114.550%0.50360%0.6SS.*Hα-helixtrans-71.6-37.6-179.8-155143.6000111.7I7 W8 V9 A14 L15I7-L11 WeakPolarHBondContact O-CB 3.19Å; I7-L11 PolarHBondContact O-N 3.25Å; W8-L11 PolarHBondContact O-N 3.33Å; V9-L11 VanDerWaalsContact C-N 3.35Å; L11-A14 PolarHBondContact O-N 3.26Å; L11-L15 HydrophobicContact CD2-CD1 3.74Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.93Å
12C79.4Confident71.5Confident66 Ų66106.3 Ų106.345%0.44657%0.57SS.*Hα-helixtrans-64.2-43.3171-74.20000112.1W8 V9 A14 L15 V16W8-C12 WeakPolarHBondContact O-CB 3.43Å; W8-C12 PolarHBondContact O-N 3.49Å; W8-C12 PolarHBondContact O-SG 2.92Å; W8-C12 VanDerWaalsContact O-SG 3.41Å; V9-C12 PolarHBondContact O-N 2.74Å; C12-A14 VanDerWaalsContact C-N 3.35Å; C12-A14 PolarHBondContact O-N 3.02Å; C12-L15 PolarHBondContact O-N 3.49Å; C12-V16 WeakPolarHBondContact O-CG2 3.09Å; C12-V16 PolarHBondContact O-N 2.91Å
13L76.4Confident71.7Confident120 Ų120103.5 Ų103.563%0.62856%0.564SS**Hα-helixtrans-61.9-40.6175.6-99.4153.4000112.4V9 L10 G17V9-L13 HydrophobicContact CG1-CD1 4.23Å; V9-L13 WeakPolarHBondContact O-CB 3.38Å; V9-L13 PolarHBondContact O-N 3.43Å; L10-L13 PolarHBondContact O-N 2.92Å; L13-G17 PolarHBondContact O-N 3.22Å
14A75.3Confident71.6Confident58 Ų58102.8 Ų102.848%0.47956%0.559SS.*Hα-helixtrans-65.6-42.8176.300000112.2L10 L11 C12 G17 V18L10-A14 WeakPolarHBondContact O-CB 3.29Å; L10-A14 PolarHBondContact O-N 3.27Å; L11-A14 PolarHBondContact O-N 3.26Å; C12-A14 VanDerWaalsContact C-N 3.35Å; C12-A14 PolarHBondContact O-N 3.02Å; A14-G17 PolarHBondContact O-N 2.93Å; A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 3.32Å
15L75.8Confident71.2Confident96 Ų96101.3 Ų101.350%0.50355%0.549SS..Hα-helixtrans-64.5-41177.6-80.9167000112.5L11 C12 G17 V18 L19L11-L15 HydrophobicContact CD2-CD1 3.74Å; L11-L15 HydrophobicContact CD2-CG 4.45Å; L11-L15 WeakPolarHBondContact O-CG 3.45Å; L11-L15 PolarHBondContact O-N 2.93Å; C12-L15 PolarHBondContact O-N 3.49Å; L15-G17 VanDerWaalsContact C-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å; L15-V18 PolarHBondContact O-N 3.24Å; L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.08Å; L15-L19 PolarHBondContact O-N 3.47Å
16V75.7Confident70.6Confident103 Ų103100.5 Ų100.562%0.62455%0.546SS*.Hα-helixtrans-64.3-39.6175.3173.80000111.1C12 L19 G20C12-V16 WeakPolarHBondContact O-CG2 3.09Å; C12-V16 PolarHBondContact O-N 2.91Å; V16-L19 PolarHBondContact O-N 3.44Å; V16-G20 PolarHBondContact O-N 3.48Å
17G69.4Low69.7Low46 Ų46101.2 Ų101.247%0.47455%0.549SS..Hα-helixtrans-62.9-43.5175.500000113.2L13 A14 L15 G20 F21L13-G17 PolarHBondContact O-N 3.22Å; A14-G17 PolarHBondContact O-N 2.93Å; L15-G17 VanDerWaalsContact C-N 3.33Å; L15-G17 PolarHBondContact O-N 3.2Å; G17-G20 PolarHBondContact O-N 3.2Å; G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.21Å
18V73.2Confident68.5Low104 Ų104101.4 Ų101.463%0.6355%0.548SS*.Hα-helixtrans-68.6-39.9179174.60000111.6A14 L15 F21 G22A14-V18 WeakPolarHBondContact O-CG2 3.45Å; A14-V18 PolarHBondContact O-N 3.32Å; L15-V18 PolarHBondContact O-N 3.24Å; V18-F21 PolarHBondContact O-N 3.21Å; V18-G22 PolarHBondContact O-N 3.16Å
19L66.8Low67Low122 Ų122100.8 Ų100.864%0.63955%0.547SS*.Hα-helixtrans-67.6-39.2175.8-70.5170.5000112.1L15 V16 G22 Q23L15-L19 WeakPolarHBondContact O-CB 2.9Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.08Å; L15-L19 PolarHBondContact O-N 3.47Å; V16-L19 PolarHBondContact O-N 3.44Å; L19-G22 PolarHBondContact O-N 3.29Å; L19-Q23 WeakPolarHBondContact O-CB 2.93Å; L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.27Å
20G62.4Low65.4Low44 Ų44102.5 Ų102.545%0.45455%0.549SS..Hα-helixtrans-64.6-41.7174.500000112.7V16 G17 Q23 F24V16-G20 PolarHBondContact O-N 3.48Å; G17-G20 PolarHBondContact O-N 3.2Å; G20-Q23 PolarHBondContact O-N 3.13Å; G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.03Å
21F64.7Low64Low135 Ų135101.7 Ų101.759%0.59254%0.544SS*.Hα-helixtrans-67.3-39.1177.7-156.1-94.7000112.1G17 V18 F24 H25G17-F21 WeakPolarHBondContact O-CB 3.43Å; G17-F21 PolarHBondContact O-N 3.21Å; V18-F21 PolarHBondContact O-N 3.21Å; F21-F24 PolarHBondContact O-N 2.95Å; F21-H25 AromaticContact CD1-CD2 3.71Å; F21-H25 AromaticContact CE1-CD2 3.3Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H25 AromaticContact CE1-NE2 3.4Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.44Å; F21-H25 AromaticContact CZ-CD2 3.86Å; F21-H25 AromaticContact CZ-NE2 3.67Å; F21-H25 PolarHBondContact O-N 3.05Å
22G59Low62.3Low40 Ų40103.7 Ų103.741%0.41255%0.551SS.*Hα-helixtrans-63.3-42.3174.100000113.2V18 L19 M26V18-G22 PolarHBondContact O-N 3.16Å; L19-G22 PolarHBondContact O-N 3.29Å; G22-M26 WeakPolarHBondContact O-CB 3.38Å; G22-M26 PolarHBondContact O-N 3.27Å
23Q62.3Low60.4Low133 Ų133110.6 Ų110.662%0.62157%0.568SS**Hα-helixtrans-68.1-38.8176.6-74.8-75.3-13.200112.5L19 G20 M26 K27L19-Q23 WeakPolarHBondContact O-CB 2.93Å; L19-Q23 WeakPolarHBondContact O-CG 3.37Å; L19-Q23 PolarHBondContact O-N 3.27Å; G20-Q23 PolarHBondContact O-N 3.13Å; Q23-M26 PolarHBondContact O-N 2.78Å; Q23-K27 PolarHBondContact O-N 3.39Å
24F63.7Low58.6Low124 Ų124110.3 Ų110.354%0.54457%0.567SS.*Hα-helixtrans-64.2-45.3176.2-176.5-99.8000111.6G20 F21 K27 H28G20-F24 WeakPolarHBondContact O-CB 3.42Å; G20-F24 PolarHBondContact O-N 3.03Å; F21-F24 PolarHBondContact O-N 2.95Å; F24-K27 PolarHBondContact O-N 3.35Å; F24-H28 AromaticContact CE1-CD2 3.67Å; F24-H28 AromaticContact CZ-CD2 3.53Å; F24-H28 AromaticContact CZ-NE2 3.9Å; F24-H28 PolarHBondContact O-N 2.85Å
25H56.8Low56.7Low87 Ų87116.6 Ų116.640%0.40358%0.58SS.*Hα-helixtrans-64.7-42.3176.2-98.5-84.9000112.5F21 K27 H28 Y29F21-H25 AromaticContact CD1-CD2 3.71Å; F21-H25 AromaticContact CE1-CD2 3.3Å; F21-H25 WeakPolarHBondContact CE1-CD2 3.43Å; F21-H25 AromaticContact CE1-NE2 3.4Å; F21-H25 WeakPolarHBondContact CE1-NE2 3.44Å; F21-H25 AromaticContact CZ-CD2 3.86Å; F21-H25 AromaticContact CZ-NE2 3.67Å; F21-H25 PolarHBondContact O-N 3.05Å; H25-K27 PolarHBondContact O-N 3.39Å; H25-H28 PolarHBondContact O-N 3.02Å; H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.24Å
26M56.5Low54.9Low125 Ų125116.7 Ų116.762%0.61658%0.581SS**Hα-helixtrans-62.2-41.8175.9-82.9-69.3-166.400112.1G22 Q23 Y29 Q30G22-M26 WeakPolarHBondContact O-CB 3.38Å; G22-M26 PolarHBondContact O-N 3.27Å; Q23-M26 PolarHBondContact O-N 2.78Å; M26-Y29 PolarHBondContact O-N 2.03Å; M26-Q30 WeakPolarHBondContact O-CB 3.38Å; M26-Q30 WeakPolarHBondContact O-CG 3.39Å; M26-Q30 PolarHBondContact O-N 3.39Å
27K54.2Low52.8Low144 Ų144116.1 Ų116.163%0.62658%0.577SS**Hα-helixtrans-63.8-40.9173.7-92-175.2175.7178.60112.3Q23 F24 H25 Q30 L31Q23-K27 PolarHBondContact O-N 3.39Å; F24-K27 PolarHBondContact O-N 3.35Å; H25-K27 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.99Å; K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 PolarHBondContact O-N 2.94Å
28H54.2Low51.1Low105 Ų105122.6 Ų122.649%0.48660%0.595SS.*Hα-helixtrans-64.4-40.9177.9-122-73.6000112.1F24 H25 L31 Q32F24-H28 AromaticContact CE1-CD2 3.67Å; F24-H28 AromaticContact CZ-CD2 3.53Å; F24-H28 AromaticContact CZ-NE2 3.9Å; F24-H28 PolarHBondContact O-N 2.85Å; H25-H28 PolarHBondContact O-N 3.02Å; H28-L31 PolarHBondContact O-N 3.33Å; H28-Q32 WeakPolarHBondContact O-CB 3.35Å; H28-Q32 PolarHBondContact O-N 3.41Å
29Y45.5Very low49.2Very low155 Ų155125.6 Ų125.661%0.60860%0.603SS**Hα-helixtrans-67.2-36.8174.5-92.3-81.7000112.6H25 M26 R33H25-Y29 WeakPolarHBondContact O-CD2 3.46Å; H25-Y29 PolarHBondContact O-N 3.24Å; M26-Y29 PolarHBondContact O-N 2.03Å; Y29-R33 PolarHBondContact O-N 3.07Å; Y29-R33 VanDerWaalsContact O-N 3.13Å
30Q46.3Very low47.6Very low126 Ų126128.3 Ų128.359%0.58962%0.618SS**Hα-helixtrans-69.9-38.5174.5-74.6-175.4-6.700112.1M26 K27 Q32 R33 N34M26-Q30 WeakPolarHBondContact O-CB 3.38Å; M26-Q30 WeakPolarHBondContact O-CG 3.39Å; M26-Q30 PolarHBondContact O-N 3.39Å; K27-Q30 PolarHBondContact O-N 2.99Å; Q30-Q32 VanDerWaalsContact C-N 3.33Å; Q30-Q32 PolarHBondContact O-N 3.4Å; Q30-R33 CarbonylContact O-C 3.59Å; Q30-R33 PolarHBondContact O-N 3.4Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; Q30-N34 WeakPolarHBondContact O-CB 3.34Å; Q30-N34 PolarHBondContact O-N 2.91Å
31L45.6Very low46.1Very low106 Ų106129.4 Ų129.456%0.55562%0.619SS**Hα-helixtrans-64.5-39.5175.7-13694.7000111.3K27 H28 R33 N34 Y35K27-L31 WeakPolarHBondContact O-CB 3.3Å; K27-L31 PolarHBondContact O-N 2.94Å; H28-L31 PolarHBondContact O-N 3.33Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 2.85Å; L31-N34 PolarHBondContact O-N 3.25Å; L31-Y35 PolarHBondContact O-N 3.48Å
32Q44.5Very low44.6Very low139 Ų139125 Ų12565%0.6561%0.611SS**Hα-helixtrans-68.9-25176-155.2177.52.800112.5H28 Q30H28-Q32 WeakPolarHBondContact O-CB 3.35Å; H28-Q32 PolarHBondContact O-N 3.41Å; Q30-Q32 VanDerWaalsContact C-N 3.33Å; Q30-Q32 PolarHBondContact O-N 3.4Å
33R40.5Very low43.7Very low211 Ų211132.7 Ų132.780%0.79664%0.636SS**Hα-helixtrans-78.6-34.7168-89.5-173.5175.6179.70.1113.3Y29 Q30 L31 Y35Y29-R33 PolarHBondContact O-N 3.07Å; Y29-R33 VanDerWaalsContact O-N 3.13Å; Q30-R33 CarbonylContact O-C 3.59Å; Q30-R33 PolarHBondContact O-N 3.4Å; Q30-R33 VanDerWaalsContact O-N 3.16Å; L31-R33 VanDerWaalsContact C-N 3.26Å; L31-R33 PolarHBondContact O-N 2.85Å; R33-Y35 VanDerWaalsContact C-N 3.33Å
34N38.4Very low42.7Very low113 Ų113133.1 Ų133.160%0.60464%0.643SS**Hα-helixtrans-80.7-9.4-179-121.4-26.7000113.9Q30 L31 N36 T37Q30-N34 WeakPolarHBondContact O-CB 3.34Å; Q30-N34 PolarHBondContact O-N 2.91Å; L31-N34 PolarHBondContact O-N 3.25Å; N34-N36 PolarHBondContact O-N 3.24Å; N34-N36 VanDerWaalsContact O-N 3.14Å; N34-T37 WeakPolarHBondContact CA-OG1 3.48Å; N34-T37 PolarHBondContact O-N 3.01Å; N34-T37 PolarHBondContact O-OG1 2.91Å; N34-T37 PolarHBondContact OD1-OG1 2.76Å
35Y35.1Very low41.5Very low191 Ų191133 Ų13375%0.74965%0.648SS**THydrogen-bonded Turntrans-702.2168.4-108.6-86.7000114L31 R33L31-Y35 PolarHBondContact O-N 3.48Å; R33-Y35 VanDerWaalsContact C-N 3.33Å
36N38.6Very low41Very low98 Ų98131 Ų13152%0.52464%0.64SS.*THydrogen-bonded Turntrans-105.37.7174.4-78-48.3000113.9N34 R53N34-N36 PolarHBondContact O-N 3.24Å; N34-N36 VanDerWaalsContact O-N 3.14Å; N36-R53 PolarHBondContact OD1-NH1 2.85Å; N36-R53 PolarHBondContact OD1-NH2 3.38Å
37T31.9Very low40.7Very low90 Ų90128 Ų12855%0.55263%0.631SS**SBendtrans-12214.8-168.218.10000115.3N34N34-T37 WeakPolarHBondContact CA-OG1 3.48Å; N34-T37 PolarHBondContact O-N 3.01Å; N34-T37 PolarHBondContact O-OG1 2.91Å; N34-T37 PolarHBondContact OD1-OG1 2.76Å
38Q32Very low40.2Very low183 Ų183125.8 Ų125.886%0.85563%0.63SS**SBendtrans-150.552.1176.9-154.9166.617.900114.4
39E34.6Very low39.8Very low167 Ų167126 Ų12678%0.7863%0.634SS**  trans-145.580.3153.5-75.6-158.2155.500107.7S41E39-S41 PolarHBondContact O-N 3Å
40D33.7Very low40.1Very low178 Ų178127.6 Ų127.695%0.95264%0.639SS**  trans-67.460157.1-87.6-35.1000109G42D40-G42 PolarHBondContact O-N 2.81Å
41S30.4Very low40.5Very low68 Ų68123.3 Ų123.348%0.47662%0.621SS.*  trans-83.996.7172.2-57.90000107.4E39 N46E39-S41 PolarHBondContact O-N 3Å; S41-N46 PolarHBondContact O-ND2 3.09Å
42G33.7Very low40.6Very low42 Ų42122.3 Ų122.343%0.43361%0.613SS.*  trans56.199.6157.900000116.1D40 N44 D45 N46D40-G42 PolarHBondContact O-N 2.81Å; G42-N44 PolarHBondContact O-N 3.48Å; G42-D45 PolarHBondContact O-N 3.49Å; G42-N46 VanDerWaalsContact C-ND2 3.35Å; G42-N46 PolarHBondContact O-ND2 3.47Å
43E39.1Very low41.3Very low201 Ų201123.2 Ų123.294%0.93961%0.61SS**THydrogen-bonded Turntrans-46.4-17.7177.3-139.2165.4136.600115.6
44N41.3Very low42Very low143 Ų143120.9 Ų120.977%0.76560%0.601SS**THydrogen-bonded Turntrans-94.8-25.6-179.4-148.216.1000115.2G42 N46G42-N44 PolarHBondContact O-N 3.48Å; N44-N46 VanDerWaalsContact C-N 3.28Å; N44-N46 PolarHBondContact O-N 3.14Å
45D39.6Very low42.5Very low121 Ų121115.5 Ų115.565%0.64757%0.572SS**THydrogen-bonded Turntrans-85.4-6.4179.3-69-33000112.7G42 S47G42-D45 PolarHBondContact O-N 3.49Å; D45-S47 PolarHBondContact O-N 3.34Å
46N44.5Very low43.3Very low45 Ų45110.1 Ų110.124%0.24156%0.555CS.*Hα-helixtrans-80.7-12.8-170-81-60.1000115.1S41 G42 N44 R50S41-N46 PolarHBondContact O-ND2 3.09Å; G42-N46 VanDerWaalsContact C-ND2 3.35Å; G42-N46 PolarHBondContact O-ND2 3.47Å; N44-N46 VanDerWaalsContact C-N 3.28Å; N44-N46 PolarHBondContact O-N 3.14Å; N46-R50 WeakPolarHBondContact O-CB 3.03Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.89Å
47S51.3Low44.3Very low62 Ų62112.8 Ų112.843%0.43456%0.558SS.*Hα-helixtrans-70.5-43.4-177.2680000111.7D45 T51D45-S47 PolarHBondContact O-N 3.34Å; S47-T51 PolarHBondContact O-N 2.7Å; S47-T51 PolarHBondContact O-OG1 3.07Å
48V44.6Very low45.2Very low97 Ų97112 Ų11259%0.58855%0.548SS*.Hα-helixtrans-73-44.5179.4-178.10000110.8R50 T51 F52V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.17Å; V48-T51 VanDerWaalsContact CA-OG1 3.31Å; V48-T51 WeakPolarHBondContact CA-OG1 2.94Å; V48-T51 PolarHBondContact O-N 3.08Å; V48-T51 PolarHBondContact O-OG1 3.33Å; V48-F52 VanDerWaalsContact O-CB 3.22Å; V48-F52 WeakPolarHBondContact O-CB 3.24Å; V48-F52 PolarHBondContact O-N 3.17Å
49L44.7Very low46.1Very low111 Ų111106 Ų10658%0.58152%0.52SS*.Hα-helixtrans-63.9-37.4175.2-87.2147.9000112R53L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 PolarHBondContact O-N 2.96Å
50R52.3Low46.9Very low188 Ų188102.5 Ų102.571%0.70951%0.514SS*.Hα-helixtrans-67.2-44.3172.9-83.8178.2173.6158.30.4112.4N46 V48 F52 R53 R54N46-R50 WeakPolarHBondContact O-CB 3.03Å; N46-R50 WeakPolarHBondContact O-CG 3.37Å; N46-R50 PolarHBondContact O-N 2.89Å; V48-R50 VanDerWaalsContact C-N 3.35Å; V48-R50 PolarHBondContact O-N 3.17Å; R50-F52 VanDerWaalsContact C-N 3.32Å; R50-R53 PolarHBondContact O-N 3.32Å; R50-R54 VanDerWaalsContact O-CB 3.22Å; R50-R54 WeakPolarHBondContact O-CB 3.46Å; R50-R54 PolarHBondContact O-N 2.93Å
51T54Low47.7Very low35 Ų35100.3 Ų100.322%0.21550%0.496CS..Hα-helixtrans-65.1-38.517731.70000111.2S47 V48 R54 C55 L70S47-T51 PolarHBondContact O-N 2.7Å; S47-T51 PolarHBondContact O-OG1 3.07Å; V48-T51 VanDerWaalsContact CA-OG1 3.31Å; V48-T51 WeakPolarHBondContact CA-OG1 2.94Å; V48-T51 PolarHBondContact O-N 3.08Å; V48-T51 PolarHBondContact O-OG1 3.33Å; T51-R54 PolarHBondContact O-N 2.99Å; T51-C55 WeakPolarHBondContact O-CB 3.45Å; T51-C55 PolarHBondContact O-N 3.37Å; T51-L70 WeakPolarHBondContact O-CD2 3.38Å
52F49.1Very low48.2Very low86 Ų86104.4 Ų104.438%0.37751%0.505SS..Hα-helixtrans-66.6-44.6174.7-168.5-95.2000112.4V48 R50 R54 C55 M56 N81 I83V48-F52 VanDerWaalsContact O-CB 3.22Å; V48-F52 WeakPolarHBondContact O-CB 3.24Å; V48-F52 PolarHBondContact O-N 3.17Å; R50-F52 VanDerWaalsContact C-N 3.32Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.48Å; F52-C55 WeakPolarHBondContact O-CB 3.46Å; F52-C55 PolarHBondContact O-N 3.45Å; F52-M56 HydrophobicContact CD1-CG 4.11Å; F52-M56 HydrophobicContact CE1-CG 3.82Å; F52-M56 HydrophobicContact CE1-SD 4.36Å; F52-M56 HydrophobicContact CZ-CG 4.3Å; F52-M56 HydrophobicContact CZ-SD 4.43Å; F52-M56 WeakPolarHBondContact O-CB 3.45Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.47Å; F52-N81 WeakPolarHBondContact CE2-O 3.4Å; F52-I83 HydrophobicContact CB-CD1 4.16Å; F52-I83 HydrophobicContact CD2-CD1 4.31Å; F52-I83 HydrophobicContact CD2-CG1 4.34Å
53R57.4Low48.4Very low157 Ų157110.1 Ų110.159%0.59253%0.525SS*.Hα-helixtrans-64.8-34.5175.9-165.2-179.1-89-171.5-8111.5N36 L49 R50 W57N36-R53 PolarHBondContact OD1-NH1 2.85Å; N36-R53 PolarHBondContact OD1-NH2 3.38Å; L49-R53 WeakPolarHBondContact O-CB 3.39Å; L49-R53 PolarHBondContact O-N 2.96Å; R50-R53 PolarHBondContact O-N 3.32Å; R53-W57 VanDerWaalsContact O-CB 3.26Å; R53-W57 WeakPolarHBondContact O-CB 3.38Å; R53-W57 PolarHBondContact O-N 3.43Å
54R55.7Low48.3Very low162 Ų162105.7 Ų105.761%0.61151%0.514SS*.Hα-helixtrans-71.2-38.3174-164.1168.5-172.1163.5-0.5112.4R50 T51 F52 W57 E58 L70R50-R54 VanDerWaalsContact O-CB 3.22Å; R50-R54 WeakPolarHBondContact O-CB 3.46Å; R50-R54 PolarHBondContact O-N 2.93Å; T51-R54 PolarHBondContact O-N 2.99Å; F52-R54 VanDerWaalsContact C-N 3.29Å; F52-R54 PolarHBondContact O-N 3.48Å; R54-W57 PolarHBondContact O-N 2.89Å; R54-E58 WeakPolarHBondContact O-CB 3.19Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 3.42Å; R54-L70 HydrophobicContact CB-CD2 4.31Å
55C49.3Very low48.1Very low0 Ų0109.6 Ų109.60%052%0.518CS..Hα-helixtrans-60.5-51.1172.7174.90000111.4T51 F52 W57 E58 Q59 L70 C78T51-C55 WeakPolarHBondContact O-CB 3.45Å; T51-C55 PolarHBondContact O-N 3.37Å; F52-C55 WeakPolarHBondContact O-CB 3.46Å; F52-C55 PolarHBondContact O-N 3.45Å; C55-W57 PolarHBondContact O-N 3.28Å; C55-E58 PolarHBondContact O-N 2.98Å; C55-Q59 PolarHBondContact O-N 2.84Å; C55-Q59 VanDerWaalsContact O-N 3.09Å; C55-L70 HydrophobicContact CB-CD1 3.96Å; C55-L70 HydrophobicContact CB-CD2 4.03Å; C55-C78 VanDerWaalsContact C-SG 3.52Å; C55-C78 WeakPolarHBondContact CA-SG 3.22Å; C55-C78 HydrophobicContact CB-CB 3.77Å; C55-C78 WeakPolarHBondContact CB-SG 3.47Å; C55-C78 PolarHBondContact O-SG 3.46Å; C55-C78 VanDerWaalsContact O-SG 3.4Å; C55-C78 WeakPolarHBondContact SG-CB 3.31Å; C55-C78 CovalentContact SG-SG 2Å; C55-C78 PolarHBondContact SG-SG 3.27Å
56M52Low48.1Very low79 Ų79115.1 Ų115.139%0.38953%0.529SS..Hα-helixtrans-61.8-40.5175.5-70.8-74.7-73.900112.3F52 S60 N81F52-M56 HydrophobicContact CD1-CG 4.11Å; F52-M56 HydrophobicContact CE1-CG 3.82Å; F52-M56 HydrophobicContact CE1-SD 4.36Å; F52-M56 HydrophobicContact CZ-CG 4.3Å; F52-M56 HydrophobicContact CZ-SD 4.43Å; F52-M56 WeakPolarHBondContact O-CB 3.45Å; F52-M56 WeakPolarHBondContact O-CG 3.32Å; F52-M56 PolarHBondContact O-N 3.47Å; M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 3.47Å; M56-N81 HydrophobicContact SD-CB 3.7Å; M56-N81 PolarHBondContact SD-OD1 2.82Å
57W58.5Low48.1Very low153 Ų153118.2 Ų118.258%0.5855%0.545SS*.Hα-helixtrans-68.3-41.6179.4-17631.8000112.7R53 R54 C55 S60 K61R53-W57 VanDerWaalsContact O-CB 3.26Å; R53-W57 WeakPolarHBondContact O-CB 3.38Å; R53-W57 PolarHBondContact O-N 3.43Å; R54-W57 PolarHBondContact O-N 2.89Å; C55-W57 PolarHBondContact O-N 3.28Å; W57-S60 PolarHBondContact O-N 2.9Å; W57-S60 PolarHBondContact O-OG 2.83Å; W57-K61 PolarHBondContact O-N 2.87Å
58E51.5Low47.6Very low73 Ų73116.8 Ų116.834%0.34153%0.534SS..Hα-helixtrans-64.4-42.1176.2-81.7-91.4164.500112R54 C55 S60 K61 V68R54-E58 WeakPolarHBondContact O-CB 3.19Å; R54-E58 WeakPolarHBondContact O-CG 3.01Å; R54-E58 PolarHBondContact O-N 3.42Å; C55-E58 PolarHBondContact O-N 2.98Å; E58-S60 VanDerWaalsContact C-N 3.31Å; E58-S60 PolarHBondContact O-N 3.46Å; E58-K61 PolarHBondContact O-N 3.04Å; E58-V68 HydrophobicContact CB-CB 4.35Å; E58-V68 HydrophobicContact CB-CG1 3.94Å; E58-V68 HydrophobicContact CB-CG2 4.1Å; E58-V68 HydrophobicContact CG-CG1 3.79Å; E58-V68 WeakPolarHBondContact OE2-CG1 3.32Å
59Q50Low47.7Very low59 Ų59116.8 Ų116.828%0.27653%0.53SS..Hα-helixtrans-65.7-32.1173.5-74.8-153.9800113.3C55 K61 F62 N81C55-Q59 PolarHBondContact O-N 2.84Å; C55-Q59 VanDerWaalsContact O-N 3.09Å; Q59-K61 PolarHBondContact O-N 3.33Å; Q59-F62 PolarHBondContact O-N 2.69Å; Q59-N81 PolarHBondContact OE1-OD1 2.85Å
60S52.8Low48Very low92 Ų92112.9 Ų112.964%0.64351%0.51SS*.Hα-helixtrans-67.9-17.417874.90000113.9M56 W57 E58M56-S60 WeakPolarHBondContact O-CB 3.48Å; M56-S60 PolarHBondContact O-N 3.47Å; W57-S60 PolarHBondContact O-N 2.9Å; W57-S60 PolarHBondContact O-OG 2.83Å; E58-S60 VanDerWaalsContact C-N 3.31Å; E58-S60 PolarHBondContact O-N 3.46Å
61K50.6Low47.8Very low132 Ų132104.8 Ų104.857%0.57448%0.482SS*.Hα-helixtrans-93-21179.3-81.6-175.9177175.10114.2W57 E58 Q59W57-K61 PolarHBondContact O-N 2.87Å; E58-K61 PolarHBondContact O-N 3.04Å; Q59-K61 PolarHBondContact O-N 3.33Å
62F39.5Very low47.7Very low155 Ų155105.2 Ų105.268%0.6848%0.483SS*.SBendtrans-131.4122-175.4-74.2-81.2000110.7Q59Q59-F62 PolarHBondContact O-N 2.69Å
63L38.2Very low47.7Very low162 Ų162101.6 Ų101.685%0.84847%0.468SS*.  trans-44.2149.1170-90.7116.3000111.5R65L63-R65 PolarHBondContact O-N 2.98Å
64P38.5Very low47.5Very low107 Ų10796.3 Ų96.370%0.69546%0.455SS*.SBendtrans-70.788.2-153.630.7-35.3000110.6
65R36.1Very low47.2Very low226 Ų22691.6 Ų91.685%0.85344%0.442SS*.  trans-177.593.9169.6-100.4165-152.6-149.68.3107.7L63L63-R65 PolarHBondContact O-N 2.98Å
66R40.4Very low47.2Very low236 Ų23693.7 Ų93.789%0.89145%0.453SS*.  trans155.6124.9136-84159.8-176.1-163.30.9109.9V68R66-V68 PolarHBondContact O-N 3.36Å
67L42.8Very low47.1Very low110 Ų11091.4 Ų91.458%0.57644%0.441SS*.  trans-41.5126.3174-71.9129.4000111.7F77 E79L67-F77 HydrophobicContact CB-CD1 4.31Å; L67-F77 HydrophobicContact CD2-CB 3.81Å; L67-F77 HydrophobicContact CD2-CD1 3.92Å; L67-F77 HydrophobicContact CD2-CG 4.09Å; L67-E79 HydrophobicContact CD2-CB 4.48Å
68V41.9Very low46.4Very low33 Ų3384.2 Ų84.220%0.241%0.414CS..EExtended strand (participates in β ladder)trans-104.6122.8174.6-1790000108.7E58 R66 L70 C78E58-V68 HydrophobicContact CB-CB 4.35Å; E58-V68 HydrophobicContact CB-CG1 3.94Å; E58-V68 HydrophobicContact CB-CG2 4.1Å; E58-V68 HydrophobicContact CG-CG1 3.79Å; E58-V68 WeakPolarHBondContact OE2-CG1 3.32Å; R66-V68 PolarHBondContact O-N 3.36Å; V68-L70 PolarHBondContact O-N 3.44Å; V68-C78 HydrophobicContact CB-CB 4.22Å; V68-C78 PolarHBondContact O-N 3.33Å
69L46.1Very low46.3Very low96 Ų9685.3 Ų85.350%0.50342%0.419SS..EExtended strand (participates in β ladder)trans-80.5105.6-173.9-150.4143.7000108.6L72 F77L69-L72 HydrophobicContact CD2-CB 4.45Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 3.83Å; L69-F77 HydrophobicContact CD1-CE1 3.83Å; L69-F77 HydrophobicContact CD1-CZ 4.28Å; L69-F77 HydrophobicContact CG-CE1 4.03Å; L69-F77 HydrophobicContact CG-CZ 4.5Å
70L50.8Low46.5Very low29 Ų2988 Ų8815%0.15244%0.436CS..EExtended strand (participates in β ladder)trans-83.1-26.8-173.6-75.6159.8000112.5T51 R54 C55 V68 L76 C78 I83T51-L70 WeakPolarHBondContact O-CD2 3.38Å; R54-L70 HydrophobicContact CB-CD2 4.31Å; C55-L70 HydrophobicContact CB-CD1 3.96Å; C55-L70 HydrophobicContact CB-CD2 4.03Å; V68-L70 PolarHBondContact O-N 3.44Å; L70-L76 HydrophobicContact CB-CB 4.28Å; L70-L76 WeakPolarHBondContact CB-O 3.34Å; L70-L76 PolarHBondContact N-O 3.04Å; L70-C78 HydrophobicContact CD1-CB 3.73Å; L70-C78 HydrophobicContact CG-CB 4.14Å; L70-I83 HydrophobicContact CD1-CD1 4.43Å; L70-I83 HydrophobicContact CD1-CG1 4Å; L70-I83 HydrophobicContact CD1-CG2 4.1Å
71S49.7Very low46.5Very low19 Ų1986.7 Ų86.713%0.13342%0.421CS..EExtended strand (participates in β ladder)trans-158.1125.7176.8166.90000110.7C73 S74 N75S71-C73 VanDerWaalsContact C-N 3.3Å; S71-C73 PolarHBondContact OG-N 2.88Å; S71-S74 WeakPolarHBondContact CB-OG 3.29Å; S71-S74 PolarHBondContact OG-N 3.36Å; S71-S74 VanDerWaalsContact OG-N 3.07Å; S71-S74 PolarHBondContact OG-OG 2.95Å; S71-N75 PolarHBondContact O-N 3.05Å
72L50.4Low46.2Very low43 Ų4386.1 Ų86.123%0.22542%0.42CS..THydrogen-bonded Turntrans-64-34.5175.5-88142000112.3L69 M119 Y130 L133L69-L72 HydrophobicContact CD2-CB 4.45Å; L69-L72 HydrophobicContact CD2-CD2 4.37Å; L69-L72 HydrophobicContact CD2-CG 3.83Å; L72-M119 HydrophobicContact CD2-CG 3.87Å; L72-M119 HydrophobicContact CD2-SD 4.17Å; L72-Y130 HydrophobicContact CB-CD2 4.48Å; L72-L133 HydrophobicContact CD1-CD2 3.3Å
73C49.3Very low46.9Very low11 Ų1180.8 Ų80.87%0.07440%0.399CS..THydrogen-bonded Turntrans-91.9-27.3-174-91.30000115.2S71 C102 F123 C126 C127S71-C73 VanDerWaalsContact C-N 3.3Å; S71-C73 PolarHBondContact OG-N 2.88Å; C73-C102 PolarHBondContact SG-SG 3.34Å; C73-F123 HydrophobicContact CB-CD2 4.46Å; C73-C126 WeakPolarHBondContact CA-SG 3.46Å; C73-C126 HydrophobicContact CB-CB 4.27Å; C73-C126 WeakPolarHBondContact CB-SG 3.45Å; C73-C126 WeakPolarHBondContact SG-CB 3.5Å; C73-C126 PolarHBondContact SG-O 3.43Å; C73-C126 VanDerWaalsContact SG-O 3.35Å; C73-C126 CovalentContact SG-SG 2.03Å; C73-C126 PolarHBondContact SG-SG 2.89Å; C73-C127 VanDerWaalsContact SG-CA 3.52Å; C73-C127 PolarHBondContact SG-N 2.99Å; C73-C127 VanDerWaalsContact SG-N 3.39Å
74S52.6Low47.5Very low45 Ų4577.8 Ų77.832%0.31538%0.382SS..THydrogen-bonded Turntrans-99.35.1178.3540000113.4S71 L76S71-S74 WeakPolarHBondContact CB-OG 3.29Å; S71-S74 PolarHBondContact OG-N 3.36Å; S71-S74 VanDerWaalsContact OG-N 3.07Å; S71-S74 PolarHBondContact OG-OG 2.95Å; S74-L76 PolarHBondContact O-N 2.89Å; S74-L76 VanDerWaalsContact O-N 3.08Å; S74-L76 WeakPolarHBondContact OG-CD1 3.22Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å
75N49.8Very low48.1Very low64 Ų6476.6 Ų76.634%0.34237%0.374SS..THydrogen-bonded Turntrans48.339.5178.2-85.7-57000112.2S71 F77 R86S71-N75 PolarHBondContact O-N 3.05Å; N75-F77 HydrophobicContact CB-CE2 4.35Å; N75-F77 VanDerWaalsContact O-CD2 3.27Å; N75-F77 WeakPolarHBondContact O-CD2 3.21Å; N75-F77 WeakPolarHBondContact O-CE2 3.1Å; N75-R86 HydrophobicContact CB-CB 4.2Å; N75-R86 PolarHBondContact O-N 2.9Å
76L49.9Very low48.7Very low44 Ų4473.9 Ų73.923%0.2336%0.363CS..EExtended strand (participates in β ladder)trans-92.6122.2179.7-66.2170.2000109.3L70 S74 I83 P85L70-L76 HydrophobicContact CB-CB 4.28Å; L70-L76 WeakPolarHBondContact CB-O 3.34Å; L70-L76 PolarHBondContact N-O 3.04Å; S74-L76 PolarHBondContact O-N 2.89Å; S74-L76 VanDerWaalsContact O-N 3.08Å; S74-L76 WeakPolarHBondContact OG-CD1 3.22Å; S74-L76 WeakPolarHBondContact OG-CG 3.37Å; L76-I83 HydrophobicContact CB-CG2 3.91Å; L76-I83 HydrophobicContact CD1-CG2 4.44Å; L76-I83 HydrophobicContact CD2-CG2 3.71Å; L76-I83 HydrophobicContact CG-CG2 4.22Å; L76-P85 HydrophobicContact CD2-CB 4.22Å
77F50.7Low48.6Very low31 Ų3168 Ų6814%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-112.9139179.3-65-91.2000110.2L67 L69 N75 I83 M84 R86L67-F77 HydrophobicContact CB-CD1 4.31Å; L67-F77 HydrophobicContact CD2-CB 3.81Å; L67-F77 HydrophobicContact CD2-CD1 3.92Å; L67-F77 HydrophobicContact CD2-CG 4.09Å; L69-F77 HydrophobicContact CD1-CE1 3.83Å; L69-F77 HydrophobicContact CD1-CZ 4.28Å; L69-F77 HydrophobicContact CG-CE1 4.03Å; L69-F77 HydrophobicContact CG-CZ 4.5Å; N75-F77 HydrophobicContact CB-CE2 4.35Å; N75-F77 VanDerWaalsContact O-CD2 3.27Å; N75-F77 WeakPolarHBondContact O-CD2 3.21Å; N75-F77 WeakPolarHBondContact O-CE2 3.1Å; F77-I83 CarbonylContact O-C 3.55Å; F77-I83 WeakPolarHBondContact O-CA 3.27Å; F77-M84 PolarHBondContact N-O 3.15Å; F77-M84 PolarHBondContact O-N 2.98Å; F77-R86 HydrophobicContact CD2-CB 3.96Å; F77-R86 HydrophobicContact CE2-CB 3.59Å; F77-R86 HydrophobicContact CE2-CG 4.2Å
78C42.4Very low48.1Very low2 Ų273.6 Ų73.61%0.01437%0.372CS..EExtended strand (participates in β ladder)trans-89.3111.4169.4-175.10000109.4C55 V68 L70C55-C78 VanDerWaalsContact C-SG 3.52Å; C55-C78 WeakPolarHBondContact CA-SG 3.22Å; C55-C78 HydrophobicContact CB-CB 3.77Å; C55-C78 WeakPolarHBondContact CB-SG 3.47Å; C55-C78 PolarHBondContact O-SG 3.46Å; C55-C78 VanDerWaalsContact O-SG 3.4Å; C55-C78 WeakPolarHBondContact SG-CB 3.31Å; C55-C78 CovalentContact SG-SG 2Å; C55-C78 PolarHBondContact SG-SG 3.27Å; V68-C78 HydrophobicContact CB-CB 4.22Å; V68-C78 PolarHBondContact O-N 3.33Å; L70-C78 HydrophobicContact CD1-CB 3.73Å; L70-C78 HydrophobicContact CG-CB 4.14Å
79E50.9Low47.4Very low96 Ų9677.3 Ų77.345%0.44940%0.4SS..EExtended strand (participates in β ladder)trans-130.9126.8174.2-174.5173.5-16200109.5L67 N81 H82L67-E79 HydrophobicContact CD2-CB 4.48Å; E79-N81 PolarHBondContact O-N 3.3Å; E79-H82 PolarHBondContact N-O 3.02Å; E79-H82 PolarHBondContact O-N 3.04Å; E79-H82 VanDerWaalsContact O-O 3.07Å
80N53.9Low46.7Very low116 Ų11679.5 Ų79.562%0.6241%0.41SS*.THydrogen-bonded Turntrans4451.8-179.6-59.8-31.1000115.1H82N80-H82 PolarHBondContact O-CD2 3.26Å; N80-H82 PolarHBondContact O-N 3.04Å; N80-H82 VanDerWaalsContact O-N 3.13Å
81N52.6Low45.4Very low64 Ų6487 Ų8734%0.34244%0.442SS..THydrogen-bonded Turntrans61.412-176.5-59.7-23.5000116F52 M56 Q59 E79F52-N81 WeakPolarHBondContact CE2-O 3.4Å; M56-N81 HydrophobicContact SD-CB 3.7Å; M56-N81 PolarHBondContact SD-OD1 2.82Å; Q59-N81 PolarHBondContact OE1-OD1 2.85Å; E79-N81 PolarHBondContact O-N 3.3Å
82H44.1Very low44.5Very low119 Ų11992.6 Ų92.655%0.55148%0.475SS*.EExtended strand (participates in β ladder)trans-115.4139.5174-67.9-78.8000110.5E79 N80 M84E79-H82 PolarHBondContact N-O 3.02Å; E79-H82 PolarHBondContact O-N 3.04Å; E79-H82 VanDerWaalsContact O-O 3.07Å; N80-H82 PolarHBondContact O-CD2 3.26Å; N80-H82 PolarHBondContact O-N 3.04Å; N80-H82 VanDerWaalsContact O-N 3.13Å; H82-M84 PolarHBondContact O-N 3.02Å
83I55.1Low43.5Very low44 Ų4496 Ų9623%0.22650%0.497CS..EExtended strand (participates in β ladder)trans-84.2110.6171.6-55177.5000107F52 L70 L76 F77F52-I83 HydrophobicContact CB-CD1 4.16Å; F52-I83 HydrophobicContact CD2-CD1 4.31Å; F52-I83 HydrophobicContact CD2-CG1 4.34Å; L70-I83 HydrophobicContact CD1-CD1 4.43Å; L70-I83 HydrophobicContact CD1-CG1 4Å; L70-I83 HydrophobicContact CD1-CG2 4.1Å; L76-I83 HydrophobicContact CB-CG2 3.91Å; L76-I83 HydrophobicContact CD1-CG2 4.44Å; L76-I83 HydrophobicContact CD2-CG2 3.71Å; L76-I83 HydrophobicContact CG-CG2 4.22Å; F77-I83 CarbonylContact O-C 3.55Å; F77-I83 WeakPolarHBondContact O-CA 3.27Å
84M48.8Very low42.4Very low99 Ų99104 Ų10449%0.48853%0.534SS..EExtended strand (participates in β ladder)trans-104118.1-179.9-78.1-84.8155.500109.6F77 H82F77-M84 PolarHBondContact N-O 3.15Å; F77-M84 PolarHBondContact O-N 2.98Å; H82-M84 PolarHBondContact O-N 3.02Å
85P52.2Low41.2Very low82 Ų82110.9 Ų110.953%0.53256%0.558SS.*EExtended strand (participates in β ladder)trans-72.7133.5166.328.9-30.2000109.2L76 S87L76-P85 HydrophobicContact CD2-CB 4.22Å; P85-S87 PolarHBondContact O-N 3.28Å
86R48.1Very low40.1Very low168 Ų168116.5 Ų116.563%0.63458%0.584SS**  trans-6993.4177.5-169.5179.8-174.8-160.91.6110.2N75 F77 R88N75-R86 HydrophobicContact CB-CB 4.2Å; N75-R86 PolarHBondContact O-N 2.9Å; F77-R86 HydrophobicContact CD2-CB 3.96Å; F77-R86 HydrophobicContact CE2-CB 3.59Å; F77-R86 HydrophobicContact CE2-CG 4.2Å; R86-R88 PolarHBondContact O-N 2.98Å
87S38.8Very low39.1Very low113 Ų113119.1 Ų119.179%0.7961%0.606SS**  trans-76.277.5178.1530000112.1P85P85-S87 PolarHBondContact O-N 3.28Å
88R32.9Very low38.3Very low227 Ų227127.7 Ų127.786%0.85764%0.638SS**  trans-143.1125.1154.8-75.7-164.6175.8171-1.9110.7R86R86-R88 PolarHBondContact O-N 2.98Å
89S27.1Very low38.2Very low112 Ų112132 Ų13278%0.78367%0.666SS**  trans74.496.5-171.6710000114
90I30.2Very low38Very low141 Ų141132.4 Ų132.472%0.72367%0.671SS**  71.8112.167.4-60.2168.8000112.6
91F24.8Very low38.1Very low188 Ų188130.1 Ų130.183%0.82566%0.659SS**  trans92.8138.4169.7-61.4-66000120
92V30.9Very low38.5Very low136 Ų136127.9 Ų127.982%0.82465%0.648SS**  trans98.577.8179.1-167.30000112.3
93V27.9Very low39Very low113 Ų113127.8 Ų127.869%0.68565%0.651SS**  53.7111.670-170.60000113.1
94E26.1Very low39.1Very low180 Ų180132.3 Ų132.384%0.84168%0.675SS**SBendtrans27.592.1155.5-71.1175.7111.800117.8
95K28.3Very low39.6Very low189 Ų189129.3 Ų129.382%0.82266%0.661SS**  trans-175.867.9136.6-104.6170.7-177.4176.10110S97K95-S97 PolarHBondContact O-N 2.99Å
96M27.4Very low39.7Very low183 Ų183130.2 Ų130.290%0.90166%0.661SS**THydrogen-bonded Turntrans-69.784.4158.6-10186.5-177.400108.3
97S28Very low40.2Very low99 Ų99126 Ų12669%0.69266%0.656SS**THydrogen-bonded Turntrans-151.512.316561.30000114.6K95K95-S97 PolarHBondContact O-N 2.99Å
98R33Very low41.2Very low210 Ų210128.4 Ų128.479%0.79265%0.654SS**SBendtrans-127.1133.9167.5-73.8-173.8175.4168.9-3109.6N100R98-N100 PolarHBondContact O-N 2.73Å
99P41.7Very low42.6Very low93 Ų93121.7 Ų121.760%0.60463%0.632SS**  trans-62.5128.2-175.921.1-21.6000108.3D101P99-D101 PolarHBondContact O-N 2.93Å
100N47.1Very low44.3Very low105 Ų105116.4 Ų116.456%0.56160%0.596SS**SBendtrans-70.151.5-176.3-73.7-50.8000112.7R98R98-N100 PolarHBondContact O-N 2.73Å
101D55.9Low45.8Very low68 Ų68116.6 Ų116.636%0.36459%0.593SS.*SBendtrans-131.8133.4-179.5-89.7-37.7000109.4P99 L103P99-D101 PolarHBondContact O-N 2.93Å; D101-L103 HydrophobicContact CB-CB 4.27Å; D101-L103 HydrophobicContact CB-CD1 3.46Å; D101-L103 VanDerWaalsContact CB-CD1 3.46Å; D101-L103 HydrophobicContact CB-CG 3.73Å; D101-L103 PolarHBondContact O-N 3.03Å
102C60.3Low47.5Very low17 Ų17114.2 Ų114.212%0.11559%0.585CS.*G310 helixtrans-65.125.6173.2-62.30000113.6C73 D104 I105 C127 Y130C73-C102 PolarHBondContact SG-SG 3.34Å; C102-D104 VanDerWaalsContact C-N 3.31Å; C102-I105 HydrophobicContact CB-CD1 4.26Å; C102-C127 WeakPolarHBondContact CA-SG 3.45Å; C102-C127 HydrophobicContact CB-CB 4.03Å; C102-C127 WeakPolarHBondContact CB-SG 3.45Å; C102-C127 WeakPolarHBondContact SG-CA 3.02Å; C102-C127 WeakPolarHBondContact SG-CB 3.4Å; C102-C127 CovalentContact SG-SG 2.02Å; C102-C127 PolarHBondContact SG-SG 3.25Å; C102-Y130 HydrophobicContact CB-CD1 3.75Å; C102-Y130 HydrophobicContact CB-CE1 4.41Å; C102-Y130 HydrophobicContact CB-CG 4.45Å
103L55.3Low48.9Very low117 Ų117110 Ų11061%0.61357%0.568SS**G310 helixtrans-68.9-28.4-176.1-78.1162.7000112.2D101 I105D101-L103 HydrophobicContact CB-CB 4.27Å; D101-L103 HydrophobicContact CB-CD1 3.46Å; D101-L103 VanDerWaalsContact CB-CD1 3.46Å; D101-L103 HydrophobicContact CB-CG 3.73Å; D101-L103 PolarHBondContact O-N 3.03Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 2.83Å
104D55.9Low50.6Low138 Ų138110.5 Ų110.574%0.73857%0.567SS**G310 helixtrans-82.50.1-176.3-66.9-21000114.2C102 L106C102-D104 VanDerWaalsContact C-N 3.31Å; D104-L106 PolarHBondContact O-N 3.38Å
105I59.2Low52.4Low37 Ų37105.5 Ų105.519%0.1954%0.544CS..  trans-83.7117.6-176.1-64.7-177.8000110.4C102 L103 Q109 C127 C131C102-I105 HydrophobicContact CB-CD1 4.26Å; L103-I105 VanDerWaalsContact C-N 3.29Å; L103-I105 PolarHBondContact O-N 2.83Å; I105-Q109 HydrophobicContact CG2-CB 3.71Å; I105-C127 VanDerWaalsContact CD1-C 3.45Å; I105-C127 HydrophobicContact CD1-CB 3.18Å; I105-C127 WeakPolarHBondContact CD1-SG 3.15Å; I105-C131 HydrophobicContact CG2-CB 4.36Å
106L53.9Low54.1Low101 Ų101104.3 Ų104.353%0.52954%0.542SS..  trans-67.7149.2174.5-77.5102.5000110.9D104 E108 Q109 C110D104-L106 PolarHBondContact O-N 3.38Å; L106-E108 PolarHBondContact O-N 2.85Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 3.49Å; L106-C110 PolarHBondContact O-SG 2.97Å; L106-C110 VanDerWaalsContact O-SG 3.34Å
107P60.4Low56Low80 Ų80101 Ų10152%0.51952%0.524SS..G310 helixtrans-53.6-27.3-177.8-25.332.6000115.2C110P107-C110 WeakPolarHBondContact O-CB 3.17Å; P107-C110 PolarHBondContact O-N 3.4Å
108E59.5Low57.5Low163 Ų16397.3 Ų97.376%0.76250%0.496SS*.G310 helixtrans-72.9-27.5179.4-60.1176.9-169.500112.6L106 C110L106-E108 PolarHBondContact O-N 2.85Å; E108-C110 PolarHBondContact O-N 3.45Å
109Q60.8Low58.8Low85 Ų8590.9 Ų90.940%0.39748%0.476SS..G310 helixtrans-81.8-5.3178.4-65.7170.6-6.900112.2I105 L106 P128I105-Q109 HydrophobicContact CG2-CB 3.71Å; L106-Q109 WeakPolarHBondContact O-CB 3.46Å; L106-Q109 PolarHBondContact O-N 3.49Å; Q109-P128 WeakPolarHBondContact O-CB 3.47Å
110C63.9Low59.5Low2 Ų295 Ų951%0.01448%0.481CS..G310 helixtrans-82.8-15.7-175.3-51.10000113.9L106 P107 E108 C131 N132L106-C110 PolarHBondContact O-SG 2.97Å; L106-C110 VanDerWaalsContact O-SG 3.34Å; P107-C110 WeakPolarHBondContact O-CB 3.17Å; P107-C110 PolarHBondContact O-N 3.4Å; E108-C110 PolarHBondContact O-N 3.45Å; C110-C131 HydrophobicContact CB-CB 3.64Å; C110-C131 WeakPolarHBondContact CB-SG 3.33Å; C110-C131 WeakPolarHBondContact SG-CB 3.26Å; C110-C131 CovalentContact SG-SG 2.01Å; C110-C131 PolarHBondContact SG-SG 2.89Å; C110-N132 PolarHBondContact O-ND2 3.39Å
111E62.3Low60.1Low144 Ų14493.3 Ų93.367%0.67347%0.468SS*.G310 helixtrans-93.5-0.1178.1-75.8-178.8166.700113.5G113E111-G113 PolarHBondContact O-N 3.24Å
112Q59.7Low60Low139 Ų13994.4 Ų94.465%0.6548%0.479SS*.  trans-84.3102.9-178.4-75.7178.8-4.800111.5L118Q112-L118 WeakPolarHBondContact O-CD2 3.5Å
113G59.7Low59.6Low46 Ų4698 Ų9847%0.47449%0.493SS..SBendtrans115.7151.9163.200000114.8E111 E115E111-G113 PolarHBondContact O-N 3.24Å; G113-E115 PolarHBondContact O-N 2.84Å
114D63.8Low59.9Low124 Ų12496.1 Ų96.166%0.66349%0.488SS*.  trans-64.1122.8176.1-71.5-35.6000110.2E116 E117 L118D114-E116 PolarHBondContact O-N 2.94Å; D114-E116 VanDerWaalsContact O-N 3.13Å; D114-E117 PolarHBondContact O-N 3.42Å; D114-L118 PolarHBondContact O-N 3.46Å
115E65.2Low60.5Low75 Ų7593.7 Ų93.735%0.3548%0.475SS..Hα-helixtrans-55.6-34.8-173.1-63.5-171136.900112G113 M119 R136G113-E115 PolarHBondContact O-N 2.84Å; E115-M119 WeakPolarHBondContact O-CB 3.33Å; E115-M119 PolarHBondContact O-N 2Å; E115-R136 IonicContact OE1-CZ 3.87Å; E115-R136 IonicContact OE1-NH1 3.9Å; E115-R136 PolarHBondContact OE1-NH1 3.4Å; E115-R136 IonicContact OE2-CZ 3.29Å; E115-R136 IonicContact OE2-NH1 3.03Å; E115-R136 PolarHBondContact OE2-NH1 2.96Å; E115-R136 IonicContact OE2-NH2 3.95Å
116E64.3Low60.9Low165 Ų16592 Ų9277%0.77147%0.467SS*.Hα-helixtrans-69.2-35.1179.5-100.7-178.5149.700113.6D114 Y120D114-E116 PolarHBondContact O-N 2.94Å; D114-E116 VanDerWaalsContact O-N 3.13Å; E116-Y120 VanDerWaalsContact O-CD2 3.32Å; E116-Y120 WeakPolarHBondContact O-CD2 3.21Å
117E65.5Low61.6Low113 Ų11387.4 Ų87.453%0.52844%0.442SS..Hα-helixtrans-81-40.5-177.7-162.1-167.5139.400111.2D114 M119 K121D114-E117 PolarHBondContact O-N 3.42Å; E117-M119 VanDerWaalsContact C-N 3.33Å; E117-M119 PolarHBondContact O-N 2.79Å; E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 2.73Å; E117-K121 PolarHBondContact OE1-NZ 3.04Å
118L60.2Low62.1Low21 Ų2184.6 Ų84.611%0.1142%0.424CS..Hα-helixtrans-72.4-25.9-178.9-97.370000113Q112 D114 Y120 K121 D125 C126 P128 V129Q112-L118 WeakPolarHBondContact O-CD2 3.5Å; D114-L118 PolarHBondContact O-N 3.46Å; L118-Y120 PolarHBondContact O-N 2.96Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.16Å; L118-D125 WeakPolarHBondContact CD2-O 3.34Å; L118-D125 VanDerWaalsContact CG-O 3.3Å; L118-D125 WeakPolarHBondContact CG-O 3.35Å; L118-C126 WeakPolarHBondContact O-CA 3.05Å; L118-P128 HydrophobicContact CD2-CB 3.84Å; L118-P128 HydrophobicContact CD2-CG 3.88Å; L118-V129 HydrophobicContact CB-CG2 3.36Å; L118-V129 HydrophobicContact CD2-CG2 4.09Å; L118-V129 HydrophobicContact CG-CG2 4.39Å
119M59.6Low62.6Low76 Ų7677.6 Ų77.637%0.37439%0.393SS..THydrogen-bonded Turntrans-62.9-26.7-176.3-169.8177.86700113.3L72 E115 E117L72-M119 HydrophobicContact CD2-CG 3.87Å; L72-M119 HydrophobicContact CD2-SD 4.17Å; E115-M119 WeakPolarHBondContact O-CB 3.33Å; E115-M119 PolarHBondContact O-N 2Å; E117-M119 VanDerWaalsContact C-N 3.33Å; E117-M119 PolarHBondContact O-N 2.79Å
120Y57.6Low62.8Low178 Ų17877.4 Ų77.470%0.69839%0.389SS*.THydrogen-bonded Turntrans-96.7-3.7179.8-61.2-76.1000113.8E116 L118E116-Y120 VanDerWaalsContact O-CD2 3.32Å; E116-Y120 WeakPolarHBondContact O-CD2 3.21Å; L118-Y120 PolarHBondContact O-N 2.96Å
121K58.8Low63.1Low70 Ų7078.4 Ų78.430%0.30440%0.396SS..SBendtrans-81.1146.3-179.5-68.6-176.8-178.6171.30111E117 L118 D125 C126E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 2.73Å; E117-K121 PolarHBondContact OE1-NZ 3.04Å; L118-K121 PolarHBondContact O-N 3.38Å; L118-K121 VanDerWaalsContact O-N 3.16Å; K121-D125 HydrophobicContact CB-CB 3.67Å; K121-D125 HydrophobicContact CD-CB 4.04Å; K121-D125 HydrophobicContact CG-CB 4.47Å; K121-C126 WeakPolarHBondContact O-CB 3.33Å
122P54.7Low63.5Low91 Ų9173.2 Ų73.259%0.59137%0.373SS*.PPolyproline II helixtrans-67.5162.7175.728.7-33.7000111.3D125P122-D125 PolarHBondContact O-N 3.02Å
123F52.2Low63.9Low93 Ų9370.2 Ų70.241%0.40836%0.361SS..THydrogen-bonded Turntrans-56.4135.5170.6-178.8-88.3000110.2C73 C127C73-F123 HydrophobicContact CB-CD2 4.46Å; F123-C127 WeakPolarHBondContact CE2-SG 3.37Å
124P61.7Low64.2Low77 Ų7773 Ų7350%0.536%0.36SS..THydrogen-bonded Turncis-96.31010.338-36000115.3C127P124-C127 WeakPolarHBondContact O-CB 3.45Å; P124-C127 PolarHBondContact O-N 3.39Å
125D67.7Low64.3Low87 Ų8771.8 Ų71.847%0.46535%0.346SS..THydrogen-bonded Turntrans-79-24.4-169.2-65.8-23.1000113.5L118 K121 P122 C127 P128L118-D125 WeakPolarHBondContact CD2-O 3.34Å; L118-D125 VanDerWaalsContact CG-O 3.3Å; L118-D125 WeakPolarHBondContact CG-O 3.35Å; K121-D125 HydrophobicContact CB-CB 3.67Å; K121-D125 HydrophobicContact CD-CB 4.04Å; K121-D125 HydrophobicContact CG-CB 4.47Å; P122-D125 PolarHBondContact O-N 3.02Å; D125-C127 PolarHBondContact O-N 3.39Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å
126C67.1Low64.2Low3 Ų374.5 Ų74.52%0.0235%0.353CS..THydrogen-bonded Turntrans-74.3-7.9175.456.80000114.5C73 L118 K121 V129 Y130C73-C126 WeakPolarHBondContact CA-SG 3.46Å; C73-C126 HydrophobicContact CB-CB 4.27Å; C73-C126 WeakPolarHBondContact CB-SG 3.45Å; C73-C126 WeakPolarHBondContact SG-CB 3.5Å; C73-C126 PolarHBondContact SG-O 3.43Å; C73-C126 VanDerWaalsContact SG-O 3.35Å; C73-C126 CovalentContact SG-SG 2.03Å; C73-C126 PolarHBondContact SG-SG 2.89Å; L118-C126 WeakPolarHBondContact O-CA 3.05Å; K121-C126 WeakPolarHBondContact O-CB 3.33Å; C126-V129 WeakPolarHBondContact O-CB 3.33Å; C126-V129 PolarHBondContact O-N 3.16Å; C126-Y130 PolarHBondContact O-N 3.28Å
127C69.5Low64Low3 Ų372.1 Ų72.12%0.0234%0.343CS..Hα-helixtrans-78-31.8-159.4-134.90000112.1C73 C102 I105 F123 P124 D125 V129 Y130 C131C73-C127 VanDerWaalsContact SG-CA 3.52Å; C73-C127 PolarHBondContact SG-N 2.99Å; C73-C127 VanDerWaalsContact SG-N 3.39Å; C102-C127 WeakPolarHBondContact CA-SG 3.45Å; C102-C127 HydrophobicContact CB-CB 4.03Å; C102-C127 WeakPolarHBondContact CB-SG 3.45Å; C102-C127 WeakPolarHBondContact SG-CA 3.02Å; C102-C127 WeakPolarHBondContact SG-CB 3.4Å; C102-C127 CovalentContact SG-SG 2.02Å; C102-C127 PolarHBondContact SG-SG 3.25Å; I105-C127 VanDerWaalsContact CD1-C 3.45Å; I105-C127 HydrophobicContact CD1-CB 3.18Å; I105-C127 WeakPolarHBondContact CD1-SG 3.15Å; F123-C127 WeakPolarHBondContact CE2-SG 3.37Å; P124-C127 WeakPolarHBondContact O-CB 3.45Å; P124-C127 PolarHBondContact O-N 3.39Å; D125-C127 PolarHBondContact O-N 3.39Å; C127-V129 PolarHBondContact O-N 3.14Å; C127-Y130 PolarHBondContact O-N 3.02Å; C127-C131 PolarHBondContact O-N 2.84Å
128P71.4Confident63.8Low21 Ų2172.8 Ų72.814%0.13635%0.346CS..Hα-helixtrans-57.1-41.7163.5-27.737.3000114.1Q109 L118 D125 C131 N132Q109-P128 WeakPolarHBondContact O-CB 3.47Å; L118-P128 HydrophobicContact CD2-CB 3.84Å; L118-P128 HydrophobicContact CD2-CG 3.88Å; D125-P128 WeakPolarHBondContact O-CD 3.42Å; P128-C131 WeakPolarHBondContact O-CB 3.45Å; P128-C131 PolarHBondContact O-N 3.03Å; P128-N132 PolarHBondContact O-N 3.01Å
129V69.3Low64Low17 Ų1779.1 Ų79.110%0.10337%0.369CS..Hα-helixtrans-65.4-42.7178.4176.40000110.8L118 C126 C127 C131 N132 L133L118-V129 HydrophobicContact CB-CG2 3.36Å; L118-V129 HydrophobicContact CD2-CG2 4.09Å; L118-V129 HydrophobicContact CG-CG2 4.39Å; C126-V129 WeakPolarHBondContact O-CB 3.33Å; C126-V129 PolarHBondContact O-N 3.16Å; C127-V129 PolarHBondContact O-N 3.14Å; V129-C131 VanDerWaalsContact C-N 3.32Å; V129-C131 PolarHBondContact O-N 3.42Å; V129-N132 PolarHBondContact O-N 3.09Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 2.66Å
130Y65.7Low64Low80 Ų8080.3 Ų80.331%0.31438%0.376SS..Hα-helixtrans-59.6-43.4174.1-178.8-96.3000111.7L72 C102 C126 C127 L133 K134L72-Y130 HydrophobicContact CB-CD2 4.48Å; C102-Y130 HydrophobicContact CB-CD1 3.75Å; C102-Y130 HydrophobicContact CB-CE1 4.41Å; C102-Y130 HydrophobicContact CB-CG 4.45Å; C126-Y130 PolarHBondContact O-N 3.28Å; C127-Y130 PolarHBondContact O-N 3.02Å; Y130-L133 PolarHBondContact O-N 3.25Å; Y130-K134 HydrophobicContact CE1-CD 4.32Å; Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 3.42Å
131C69.9Low64.3Low23 Ų2379 Ų7916%0.15537%0.37CS..Hα-helixtrans-60.8-45.8175.6177.40000112.1I105 C110 C127 P128 V129 L133 K134 R135I105-C131 HydrophobicContact CG2-CB 4.36Å; C110-C131 HydrophobicContact CB-CB 3.64Å; C110-C131 WeakPolarHBondContact CB-SG 3.33Å; C110-C131 WeakPolarHBondContact SG-CB 3.26Å; C110-C131 CovalentContact SG-SG 2.01Å; C110-C131 PolarHBondContact SG-SG 2.89Å; C127-C131 PolarHBondContact O-N 2.84Å; P128-C131 WeakPolarHBondContact O-CB 3.45Å; P128-C131 PolarHBondContact O-N 3.03Å; V129-C131 VanDerWaalsContact C-N 3.32Å; V129-C131 PolarHBondContact O-N 3.42Å; C131-L133 PolarHBondContact O-N 3.43Å; C131-K134 WeakPolarHBondContact O-CB 3.45Å; C131-K134 PolarHBondContact O-N 3.47Å; C131-R135 PolarHBondContact O-N 3.45Å
132N69.4Low64.8Low36 Ų3679.4 Ų79.419%0.19338%0.378CS..Hα-helixtrans-65.3-40.8-178.5-131.6-13.9000111.8C110 P128 V129 R135 R136C110-N132 PolarHBondContact O-ND2 3.39Å; P128-N132 PolarHBondContact O-N 3.01Å; V129-N132 PolarHBondContact O-N 3.09Å; N132-R135 WeakPolarHBondContact O-CB 3.44Å; N132-R135 PolarHBondContact O-N 3.13Å; N132-R136 PolarHBondContact O-N 2.88Å
133L68.2Low65.2Low75 Ų7580.4 Ų80.439%0.39338%0.376SS..Hα-helixtrans-63.1-43.9173.4-171.270.7000111.8L72 V129 Y130 C131 R135 R136 M137L72-L133 HydrophobicContact CD1-CD2 3.3Å; V129-L133 WeakPolarHBondContact O-CB 3.44Å; V129-L133 PolarHBondContact O-N 2.66Å; Y130-L133 PolarHBondContact O-N 3.25Å; C131-L133 PolarHBondContact O-N 3.43Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.26Å; L133-R136 PolarHBondContact O-N 3.24Å; L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.36Å; L133-M137 PolarHBondContact O-N 3.4Å
134K66.3Low65.9Low106 Ų10682.1 Ų82.146%0.46139%0.385SS..Hα-helixtrans-58.6-43175.3-172.8177.5179.5-176.60110.8Y130 C131 M137 Q138Y130-K134 HydrophobicContact CE1-CD 4.32Å; Y130-K134 WeakPolarHBondContact O-CB 3.49Å; Y130-K134 PolarHBondContact O-N 3.42Å; C131-K134 WeakPolarHBondContact O-CB 3.45Å; C131-K134 PolarHBondContact O-N 3.47Å; K134-M137 PolarHBondContact O-N 3.17Å; K134-Q138 WeakPolarHBondContact O-CB 3.3Å; K134-Q138 PolarHBondContact O-N 3.42Å
135R67Low66.1Low97 Ų9781.3 Ų81.337%0.36637%0.374SS..Hα-helixtrans-62.7-45.1176.2-159.6178.4-166-173.64.8111.9C131 N132 L133 Q138 R139C131-R135 PolarHBondContact O-N 3.45Å; N132-R135 WeakPolarHBondContact O-CB 3.44Å; N132-R135 PolarHBondContact O-N 3.13Å; L133-R135 VanDerWaalsContact C-N 3.29Å; L133-R135 PolarHBondContact O-N 3.26Å; R135-Q138 PolarHBondContact O-N 3.16Å; R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.13Å
136R63.1Low66.3Low133 Ų13385.7 Ų85.750%0.50238%0.384SS..Hα-helixtrans-60-46.8173.6-89.3-176.8179.1148.80.9111.7E115 N132 L133 Q138 R139 L140E115-R136 IonicContact OE1-CZ 3.87Å; E115-R136 IonicContact OE1-NH1 3.9Å; E115-R136 PolarHBondContact OE1-NH1 3.4Å; E115-R136 IonicContact OE2-CZ 3.29Å; E115-R136 IonicContact OE2-NH1 3.03Å; E115-R136 PolarHBondContact OE2-NH1 2.96Å; E115-R136 IonicContact OE2-NH2 3.95Å; N132-R136 PolarHBondContact O-N 2.88Å; L133-R136 PolarHBondContact O-N 3.24Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.49Å; R136-R139 PolarHBondContact O-N 3.43Å; R136-L140 PolarHBondContact O-N 3.02Å
137M59Low66.5Low115 Ų11590.5 Ų90.557%0.56741%0.406SS*.Hα-helixtrans-62.5-38.1179.4-76-63.8-74.200112.3L133 K134 L140 R141L133-M137 WeakPolarHBondContact O-CB 3.48Å; L133-M137 WeakPolarHBondContact O-CG 3.36Å; L133-M137 PolarHBondContact O-N 3.4Å; K134-M137 PolarHBondContact O-N 3.17Å; M137-L140 PolarHBondContact O-N 2.82Å; M137-L140 HydrophobicContact SD-CD1 4.43Å; M137-R141 WeakPolarHBondContact O-CB 3.3Å; M137-R141 PolarHBondContact O-N 2.77Å
138Q62.4Low66.7Low126 Ų12698.9 Ų98.959%0.58944%0.437SS*.Hα-helixtrans-68.9-38.8176.8-162.2164.8-0.600112K134 R135 R136 R141 T142K134-Q138 WeakPolarHBondContact O-CB 3.3Å; K134-Q138 PolarHBondContact O-N 3.42Å; R135-Q138 PolarHBondContact O-N 3.16Å; R136-Q138 VanDerWaalsContact C-N 3.32Å; R136-Q138 PolarHBondContact O-N 3.49Å; Q138-R141 PolarHBondContact O-N 2.93Å; Q138-T142 WeakPolarHBondContact O-CG2 3.37Å; Q138-T142 PolarHBondContact O-N 3.29Å; Q138-T142 PolarHBondContact O-OG1 3.47Å
139R63.1Low66.9Low155 Ų155101.1 Ų101.159%0.58545%0.447SS*.Hα-helixtrans-62-44.4171-71.2178.7-175177.93.9111.9R135 R136 T142 M143R135-R139 WeakPolarHBondContact O-CG 3.4Å; R135-R139 PolarHBondContact O-N 3.13Å; R136-R139 PolarHBondContact O-N 3.43Å; R139-T142 WeakPolarHBondContact CA-OG1 3.4Å; R139-T142 PolarHBondContact O-N 3.48Å; R139-T142 PolarHBondContact O-OG1 3.02Å; R139-M143 WeakPolarHBondContact O-CB 3.5Å; R139-M143 PolarHBondContact O-N 2.95Å
140L60.8Low67.3Low100 Ų100105.3 Ų105.352%0.52447%0.469SS..Hα-helixtrans-63-44.6175.9-79.9163000111.5R136 M137 T142 M143 H144R136-L140 PolarHBondContact O-N 3.02Å; M137-L140 PolarHBondContact O-N 2.82Å; M137-L140 HydrophobicContact SD-CD1 4.43Å; L140-T142 PolarHBondContact O-N 3.38Å; L140-M143 PolarHBondContact O-N 3.25Å; L140-H144 WeakPolarHBondContact O-CB 3.34Å; L140-H144 PolarHBondContact O-N 2.94Å
141R62.4Low67.5Low152 Ų152108.5 Ų108.557%0.57448%0.48SS*.Hα-helixtrans-61-44.3179-166.8175.8-175.6-176.5-0.9111.8M137 Q138 H144 F145M137-R141 WeakPolarHBondContact O-CB 3.3Å; M137-R141 PolarHBondContact O-N 2.77Å; Q138-R141 PolarHBondContact O-N 2.93Å; R141-H144 PolarHBondContact O-N 2.97Å; R141-F145 WeakPolarHBondContact O-CB 3.48Å; R141-F145 PolarHBondContact O-N 3.44Å
142T70.3Confident67.7Low77 Ų77111.7 Ų111.747%0.47250%0.496SS..Hα-helixtrans-65.9-38.4176.751.30000112.3Q138 R139 L140 R146Q138-T142 WeakPolarHBondContact O-CG2 3.37Å; Q138-T142 PolarHBondContact O-N 3.29Å; Q138-T142 PolarHBondContact O-OG1 3.47Å; R139-T142 WeakPolarHBondContact CA-OG1 3.4Å; R139-T142 PolarHBondContact O-N 3.48Å; R139-T142 PolarHBondContact O-OG1 3.02Å; L140-T142 PolarHBondContact O-N 3.38Å; T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.95Å
143M63.2Low68Low112 Ų112117 Ų11755%0.55252%0.517SS*.Hα-helixtrans-66.7-45.4174.9-162.3-83.6-8600111.6R139 L140 F145 R146 H147R139-M143 WeakPolarHBondContact O-CB 3.5Å; R139-M143 PolarHBondContact O-N 2.95Å; L140-M143 PolarHBondContact O-N 3.25Å; M143-F145 VanDerWaalsContact C-N 3.29Å; M143-F145 PolarHBondContact O-N 2.92Å; M143-R146 WeakPolarHBondContact O-CB 3.49Å; M143-R146 PolarHBondContact O-N 3.41Å; M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 3.04Å
144H66.4Low68.2Low130 Ų130119.6 Ų119.660%0.60253%0.527SS*.Hα-helixtrans-62.9-38.4179-144.1-16.7000111.9L140 R141 H147 R148L140-H144 WeakPolarHBondContact O-CB 3.34Å; L140-H144 PolarHBondContact O-N 2.94Å; R141-H144 PolarHBondContact O-N 2.97Å; H144-H147 PolarHBondContact O-N 3Å; H144-R148 PolarHBondContact O-N 3.02Å
145F66.3Low67.9Low59 Ų59119.3 Ų119.326%0.25953%0.531SS..Hα-helixtrans-62.9-49.9172.2-179.1-95000111.7R141 M143 H147 R148 L149 L175 F179R141-F145 WeakPolarHBondContact O-CB 3.48Å; R141-F145 PolarHBondContact O-N 3.44Å; M143-F145 VanDerWaalsContact C-N 3.29Å; M143-F145 PolarHBondContact O-N 2.92Å; F145-H147 VanDerWaalsContact C-N 3.26Å; F145-H147 PolarHBondContact O-N 3.48Å; F145-R148 PolarHBondContact O-N 3.05Å; F145-L149 HydrophobicContact CE1-CD1 4.28Å; F145-L149 HydrophobicContact CZ-CD1 4.28Å; F145-L149 PolarHBondContact O-N 3.44Å; F145-L175 HydrophobicContact CE2-CD2 3.88Å; F145-F179 HydrophobicContact CE1-CD2 4.39Å; F145-F179 HydrophobicContact CE1-CE2 4.08Å; F145-F179 HydrophobicContact CZ-CD2 4.22Å; F145-F179 HydrophobicContact CZ-CE2 4.38Å
146R71.4Confident67.4Low179 Ų179117.1 Ų117.168%0.67554%0.539SS*.Hα-helixtrans-56.1-42.4174.8-78.1179.6178.1174.70.3111.6T142 M143 L149 L150T142-R146 WeakPolarHBondContact O-CG 3.37Å; T142-R146 PolarHBondContact O-N 2.95Å; M143-R146 WeakPolarHBondContact O-CB 3.49Å; M143-R146 PolarHBondContact O-N 3.41Å; R146-L149 PolarHBondContact O-N 3.49Å; R146-L150 WeakPolarHBondContact O-CB 3.28Å; R146-L150 VanDerWaalsContact O-CG 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.46Å
147H71.9Confident67Low105 Ų105114.9 Ų114.949%0.48654%0.543SS..Hα-helixtrans-64.8-40.9178.9-162.8-76.4000112.3M143 H144 F145 L150 R151M143-H147 WeakPolarHBondContact O-CB 3.46Å; M143-H147 PolarHBondContact O-N 3.04Å; H144-H147 PolarHBondContact O-N 3Å; F145-H147 VanDerWaalsContact C-N 3.26Å; F145-H147 PolarHBondContact O-N 3.48Å; H147-L150 PolarHBondContact O-N 2.99Å; H147-R151 PolarHBondContact O-N 3.39Å
148R72.6Confident66.6Low179 Ų179113.6 Ų113.668%0.67555%0.551SS**Hα-helixtrans-63.6-43.3172.4-87.5-172.3171.5-171.3-2.3112.1H144 F145 L150 R151 N152H144-R148 PolarHBondContact O-N 3.02Å; F145-R148 PolarHBondContact O-N 3.05Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 2.95Å; R148-R151 PolarHBondContact O-N 3.07Å; R148-N152 PolarHBondContact O-N 3.28Å
149L76Confident65.8Low67 Ų67110.2 Ų110.235%0.35155%0.55SS..Hα-helixtrans-61.3-42.6178.1-160.996.4000111.5F145 R146 K153F145-L149 HydrophobicContact CE1-CD1 4.28Å; F145-L149 HydrophobicContact CZ-CD1 4.28Å; F145-L149 PolarHBondContact O-N 3.44Å; R146-L149 PolarHBondContact O-N 3.49Å; L149-K153 PolarHBondContact O-N 3.49Å; L149-K153 VanDerWaalsContact O-N 3.15Å
150L77Confident65Low105 Ų105108.2 Ų108.255%0.5556%0.56SS.*Hα-helixtrans-67-41.4176.9-71170.6000112R146 H147 R148 K153 Q154R146-L150 WeakPolarHBondContact O-CB 3.28Å; R146-L150 VanDerWaalsContact O-CG 3.29Å; R146-L150 WeakPolarHBondContact O-CG 3.48Å; R146-L150 PolarHBondContact O-N 3.46Å; H147-L150 PolarHBondContact O-N 2.99Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 2.95Å; L150-K153 PolarHBondContact O-N 3Å; L150-Q154 PolarHBondContact O-N 3.35Å
151R71.6Confident64.1Low147 Ų147108.3 Ų108.356%0.55558%0.575SS**Hα-helixtrans-59.5-48.3173.2-99.6-171.276169.84.9112.3H147 R148 K153 Q154 D155H147-R151 PolarHBondContact O-N 3.39Å; R148-R151 PolarHBondContact O-N 3.07Å; R151-K153 PolarHBondContact O-N 3.42Å; R151-Q154 PolarHBondContact O-N 3.47Å; R151-D155 PolarHBondContact O-N 2.99Å
152N73.9Confident62.6Low91 Ų91104.4 Ų104.449%0.48758%0.582SS.*Hα-helixtrans-60.5-34.7178.8-77.71.2000112.2R148 G156R148-N152 PolarHBondContact O-N 3.28Å; N152-G156 PolarHBondContact O-N 3.41Å
153K75.3Confident60.8Low146 Ų146104.7 Ų104.764%0.63560%0.6SS**Hα-helixtrans-69.3-36.9173.6-78.8-175.3173.7-178.90112.8L149 L150 R151 S157L149-K153 PolarHBondContact O-N 3.49Å; L149-K153 VanDerWaalsContact O-N 3.15Å; L150-K153 PolarHBondContact O-N 3Å; R151-K153 PolarHBondContact O-N 3.42Å; K153-S157 WeakPolarHBondContact O-CB 3.34Å; K153-S157 PolarHBondContact O-N 3.44Å
154Q71.8Confident59.4Low130 Ų130102.8 Ų102.861%0.60761%0.609SS**Hα-helixtrans-67.8-45175.8-77.6-179.6-32.600111.7L150 R151 G156 S157 A158L150-Q154 PolarHBondContact O-N 3.35Å; R151-Q154 PolarHBondContact O-N 3.47Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.01Å; Q154-S157 PolarHBondContact O-N 2.98Å; Q154-S157 PolarHBondContact O-OG 2.93Å; Q154-A158 PolarHBondContact O-N 2.93Å
155D59.8Low58Low101 Ų101102.8 Ų102.854%0.5462%0.624SS.*Hα-helixtrans-63.6-34.9177.2-66.6-30.8000111.4R151R151-D155 PolarHBondContact O-N 2.99Å
156G57.1Low56.5Low51 Ų51104.9 Ų104.953%0.52665%0.652SS.*Hα-helixtrans-71.3-27.3171.600000114.5N152 Q154N152-G156 PolarHBondContact O-N 3.41Å; Q154-G156 VanDerWaalsContact C-N 3.28Å; Q154-G156 PolarHBondContact O-N 3.01Å
157S54.6Low54.8Low86 Ų86100.5 Ų100.560%0.60166%0.662SS**Hα-helixtrans-82.8-26.717976.60000113.4K153 Q154 G159K153-S157 WeakPolarHBondContact O-CB 3.34Å; K153-S157 PolarHBondContact O-N 3.44Å; Q154-S157 PolarHBondContact O-N 2.98Å; Q154-S157 PolarHBondContact O-OG 2.93Å; S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 3.44Å
158A50.3Low53Low88 Ų8898.9 Ų98.973%0.72767%0.674SS**THydrogen-bonded Turntrans-76-11.1178.500000113.7Q154Q154-A158 PolarHBondContact O-N 2.93Å
159G45.8Very low51.4Low55 Ų5597.9 Ų97.957%0.56768%0.682SS**THydrogen-bonded Turntrans-102.4-0.4-177.700000116.5S157 A161S157-G159 VanDerWaalsContact C-N 3.26Å; S157-G159 PolarHBondContact O-N 3.44Å; G159-A161 PolarHBondContact O-N 3.31Å
160S46.8Very low49.6Very low113 Ų11396.9 Ų96.979%0.7969%0.688SS**  trans-79.321.5-176.5-73.90000115.1
161A41.3Very low48.3Very low102 Ų10296.9 Ų96.984%0.84369%0.694SS**SBendtrans-123.771.4170.800000110.3G159G159-A161 PolarHBondContact O-N 3.31Å
162G31.5Very low47.1Very low70 Ų7095.5 Ų95.572%0.72270%0.698SS**SBendtrans145.696.1162.800000116.2
163G33Very low45.8Very low82 Ų8296.9 Ų96.985%0.84571%0.705SS**  trans90106.5137.100000119.3
164G33.5Very low44.6Very low73 Ų7394.1 Ų94.175%0.75371%0.705SS**  83.694.1119.200000120.2
165S36.3Very low43.3Very low129 Ų12990.3 Ų90.390%0.90269%0.688SS**  trans63.2146.9135.9-62.90000123.1
166A34.7Very low42.7Very low103 Ų10390.8 Ų90.885%0.85169%0.69SS**  trans90.5115.4163.300000116.7
167G36.2Very low42.3Very low87 Ų8791.7 Ų91.790%0.89769%0.689SS**  trans-68.2167.6-177.400000115.3
168G33.7Very low41.8Very low71 Ų7192.2 Ų92.273%0.73268%0.681SS**  trans151.495.8176.400000109.9G170G168-G170 PolarHBondContact O-N 3.11Å
169D38.9Very low41.4Very low158 Ų15893.9 Ų93.985%0.84567%0.673SS**  trans28.387.3157.6-59.4-34.9000116.9
170G37.6Very low41.4Very low46 Ų4696.2 Ų96.247%0.47468%0.675SS.*  trans-60.9154173.500000113G168 N172G168-G170 PolarHBondContact O-N 3.11Å; G170-N172 PolarHBondContact O-N 3.39Å
171P51.4Low41.4Very low105 Ų105100.3 Ų100.368%0.68268%0.675SS**THydrogen-bonded Turntrans-66.25.9-178.228.7-35.8000114.7N173P171-N173 PolarHBondContact O-N 3.48Å
172N46.7Very low41.5Very low119 Ų119100 Ų10064%0.63666%0.659SS**THydrogen-bonded Turntrans-73-24.9-176.6-69.7-16.7000113.2G170G170-N172 PolarHBondContact O-N 3.39Å
173N45.9Very low42Very low119 Ų119102.7 Ų102.764%0.63666%0.657SS**Hα-helixtrans-77.1-25.2-177.9-77-7.1000113.7P171 L175 S177P171-N173 PolarHBondContact O-N 3.48Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.34Å; N173-S177 PolarHBondContact O-OG 3.04Å
174S50Low42.2Very low89 Ų89112.2 Ų112.262%0.62267%0.669SS**Hα-helixtrans-75-19.8179.8-171.90000113.6S177S174-S177 PolarHBondContact O-OG 2.98Å
175L44.6Very low42.6Very low49 Ų49114.2 Ų114.226%0.25767%0.665SS.*Hα-helixtrans-87.7-30.4179.3-75.5166.8000112.3F145 N173 E178F145-L175 HydrophobicContact CE2-CD2 3.88Å; N173-L175 VanDerWaalsContact C-N 3.32Å; N173-L175 PolarHBondContact O-N 3.34Å; L175-E178 PolarHBondContact O-N 3.47Å
176L46.7Very low42.9Very low112 Ų112113.4 Ų113.459%0.58665%0.653SS**Hα-helixtrans-70.3-34.5175.9-91.4152.1000112.2E178 F179 V180L176-E178 PolarHBondContact O-N 3.3Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.14Å; L176-V180 PolarHBondContact O-N 3.44Å
177S48.8Very low43.4Very low70 Ų70113.9 Ų113.949%0.4964%0.641SS.*Hα-helixtrans-64.1-27173.345.10000113.3N173 S174 F179N173-S177 PolarHBondContact O-OG 3.04Å; S174-S177 PolarHBondContact O-OG 2.98Å; S177-F179 VanDerWaalsContact C-N 3.32Å
178E44Very low43.8Very low97 Ų97115.5 Ų115.545%0.45363%0.626SS.*Hα-helixtrans-78.9-17.7176.7-142.5178.3-178.100112.7L175 L176 N182L175-E178 PolarHBondContact O-N 3.47Å; L176-E178 PolarHBondContact O-N 3.3Å; E178-N182 PolarHBondContact O-ND2 3.26Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å
179F42.2Very low44.4Very low123 Ų123118.3 Ų118.354%0.53962%0.62SS.*Hα-helixtrans-82.8-31.3179.6-137.7-88.2000112.7F145 L176 S177F145-F179 HydrophobicContact CE1-CD2 4.39Å; F145-F179 HydrophobicContact CE1-CE2 4.08Å; F145-F179 HydrophobicContact CZ-CD2 4.22Å; F145-F179 HydrophobicContact CZ-CE2 4.38Å; L176-F179 WeakPolarHBondContact O-CB 3.49Å; L176-F179 PolarHBondContact O-N 3.49Å; L176-F179 VanDerWaalsContact O-N 3.14Å; S177-F179 VanDerWaalsContact C-N 3.32Å
180V46.6Very low44.8Very low103 Ų103115.7 Ų115.762%0.62461%0.605SS**Hα-helixtrans-79-30.9179.51800000111.6L176 N182L176-V180 PolarHBondContact O-N 3.44Å; V180-N182 PolarHBondContact O-N 3.21Å
181Y46.1Very low45.3Very low200 Ų200120.6 Ų120.678%0.78461%0.614SS**THydrogen-bonded Turntrans-81-8.4-177.7-114.3-81.6000115.5
182N43.1Very low44.8Very low96 Ų96121.8 Ų121.851%0.51361%0.609SS.*THydrogen-bonded Turntrans-112.36.6-178.9-77.8-63.2000113.9E178 V180E178-N182 PolarHBondContact O-ND2 3.26Å; E178-N182 VanDerWaalsContact O-ND2 3.09Å; V180-N182 PolarHBondContact O-N 3.21Å
183N42Very low44.7Very low125 Ų125122.1 Ų122.167%0.66861%0.607SS**  trans-111.212.2-179.3-98.1-28.1000113.8
184Y36.3Very low44.6Very low282 Ų282122.4 Ų122.4100%1.10660%0.604SS**  trans-118.80168-83.8-86000109.4

Retrieved 184 of 184 residues in 28.8 ms (Link to these results)