A0A087WS15_MOUSE Loading...

Cytochrome P450, family 4, subfamily a, polypeptide 30b

AlphaFold DB , UniProt , Accession A0A087WS15, Species MOUSE (Mus musculus, Mouse), Gene Cyp4a30b, Length 508 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
1M42Very low50.8Low214 Ų214122 Ų122100%1.05463%0.633SS**  078.20-87164.1108.200107.4
2S50Low51.3Low71 Ų71117.8 Ų117.850%0.49762%0.616SS.*  68.395.1100.2-160.70000112.7F4 E5S2-F4 PolarHBondContact O-N 3.19Å; S2-E5 PolarHBondContact O-N 3.4Å
3I50.9Low51.7Low157 Ų157120.8 Ų120.881%0.80562%0.622SS**THydrogen-bonded Turntrans-57-9.8171.7-67166.9000111.8E5I3-E5 PolarHBondContact O-N 2.9Å
4F50.2Low53.2Low161 Ų161115.1 Ų115.171%0.70661%0.608SS**THydrogen-bonded Turntrans-70.9-21.9176.6-80.1-86.9000115.4S2 S7S2-F4 PolarHBondContact O-N 3.19Å; F4-S7 PolarHBondContact O-OG 3.1Å
5E50.4Low54.7Low121 Ų121113.9 Ų113.957%0.56560%0.601SS**THydrogen-bonded Turntrans-80.4-32.6-177.4-74.2-175.116400113.5S2 I3 S7 H8S2-E5 PolarHBondContact O-N 3.4Å; I3-E5 PolarHBondContact O-N 2.9Å; E5-S7 PolarHBondContact O-N 2.91Å; E5-H8 PolarHBondContact O-N 2.87Å
6L50.5Low56.1Low128 Ų128114.8 Ų114.867%0.6760%0.598SS**Hα-helixtrans-71.8-26.6-177.8-88.9151.4000113.5H8 T10L6-H8 VanDerWaalsContact C-N 3.3Å; L6-H8 PolarHBondContact O-N 3.01Å; L6-T10 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.27Å
7S50.3Low57.7Low56 Ų56110 Ų11039%0.39258%0.583SS.*Hα-helixtrans-72.1-24.2174.860.50000112.9F4 E5 T10 N11F4-S7 PolarHBondContact O-OG 3.1Å; E5-S7 PolarHBondContact O-N 2.91Å; S7-T10 PolarHBondContact O-OG1 3.34Å; S7-N11 PolarHBondContact O-ND2 3.46Å
8H50.2Low59.1Low134 Ų134110.7 Ų110.762%0.6259%0.586SS**Hα-helixtrans-77.6-40.5176.9-87.8-73000112.1E5 L6 N11 V12E5-H8 PolarHBondContact O-N 2.87Å; L6-H8 VanDerWaalsContact C-N 3.3Å; L6-H8 PolarHBondContact O-N 3.01Å; H8-N11 PolarHBondContact O-N 3.35Å; H8-V12 VanDerWaalsContact O-CG2 3.29Å; H8-V12 WeakPolarHBondContact O-CG2 3.39Å; H8-V12 PolarHBondContact O-N 2.74Å; H8-V12 VanDerWaalsContact O-N 3.16Å
9I53.6Low60.5Low99 Ų99110.3 Ų110.351%0.50858%0.584SS.*Hα-helixtrans-71.5-40.9-176.1-61.8173.3000111.9N11 V12 F13I9-N11 VanDerWaalsContact C-N 3.33Å; I9-N11 PolarHBondContact O-N 3.31Å; I9-V12 PolarHBondContact O-N 2.91Å; I9-F13 HydrophobicContact CG2-CD2 3.99Å; I9-F13 HydrophobicContact CG2-CE2 3.87Å; I9-F13 WeakPolarHBondContact O-CD2 3.34Å; I9-F13 PolarHBondContact O-N 3.46Å
10T54.4Low61.9Low96 Ų96111.5 Ų111.559%0.58959%0.586SS**Hα-helixtrans-64.3-37176.743.80000112.4L6 S7 G14L6-T10 PolarHBondContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.27Å; S7-T10 PolarHBondContact O-OG1 3.34Å; T10-G14 PolarHBondContact O-N 2.98Å
11N56.5Low63.1Low105 Ų105110.1 Ų110.156%0.56158%0.582SS**Hα-helixtrans-64.9-38.9172.6-91.4-34.3000112.8S7 H8 I9 G14 I15S7-N11 PolarHBondContact O-ND2 3.46Å; H8-N11 PolarHBondContact O-N 3.35Å; I9-N11 VanDerWaalsContact C-N 3.33Å; I9-N11 PolarHBondContact O-N 3.31Å; N11-G14 PolarHBondContact O-N 3.32Å; N11-I15 WeakPolarHBondContact O-CD1 3.32Å; N11-I15 WeakPolarHBondContact O-CG1 3.39Å; N11-I15 PolarHBondContact O-N 2.96Å
12V56.8Low65.5Low71 Ų71104.1 Ų104.143%0.4356%0.557SS.*Hα-helixtrans-64.8-45.5179.9172.80000111.4H8 I9 G14 I15 F16H8-V12 VanDerWaalsContact O-CG2 3.29Å; H8-V12 WeakPolarHBondContact O-CG2 3.39Å; H8-V12 PolarHBondContact O-N 2.74Å; H8-V12 VanDerWaalsContact O-N 3.16Å; I9-V12 PolarHBondContact O-N 2.91Å; V12-G14 VanDerWaalsContact C-N 3.32Å; V12-G14 PolarHBondContact O-N 2.72Å; V12-I15 PolarHBondContact O-N 2.99Å; V12-F16 HydrophobicContact CG1-CD2 3.7Å; V12-F16 HydrophobicContact CG1-CE2 3.7Å; V12-F16 WeakPolarHBondContact O-CD2 3.36Å; V12-F16 PolarHBondContact O-N 3.22Å
13F56Low67.4Low157 Ų157104 Ų10469%0.68956%0.556SS**Hα-helixtrans-63.8-36.8175.7-80.9-76.1000112.7I9 G17I9-F13 HydrophobicContact CG2-CD2 3.99Å; I9-F13 HydrophobicContact CG2-CE2 3.87Å; I9-F13 WeakPolarHBondContact O-CD2 3.34Å; I9-F13 PolarHBondContact O-N 3.46Å; F13-G17 PolarHBondContact O-N 3.28Å; F13-G17 VanDerWaalsContact O-N 3.12Å
14G72.5Confident69.5Low41 Ų41102.2 Ų102.242%0.42355%0.548SS..Hα-helixtrans-61.8-43.7172.700000112.8T10 N11 V12 L18T10-G14 PolarHBondContact O-N 2.98Å; N11-G14 PolarHBondContact O-N 3.32Å; V12-G14 VanDerWaalsContact C-N 3.32Å; V12-G14 PolarHBondContact O-N 2.72Å; G14-L18 WeakPolarHBondContact O-CB 3.36Å; G14-L18 PolarHBondContact O-N 3.23Å
15I76Confident71.5Confident98 Ų9899 Ų9950%0.50354%0.538SS..Hα-helixtrans-66.6-44.4179.4-68.1162.4000111.5N11 V12 L18 L19N11-I15 WeakPolarHBondContact O-CD1 3.32Å; N11-I15 WeakPolarHBondContact O-CG1 3.39Å; N11-I15 PolarHBondContact O-N 2.96Å; V12-I15 PolarHBondContact O-N 2.99Å; I15-L18 PolarHBondContact O-N 3.44Å; I15-L19 HydrophobicContact CG2-CD1 3.86Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.09Å
16F77.9Confident73.5Confident128 Ų12894.7 Ų94.756%0.56153%0.526SS*.Hα-helixtrans-63.8-42178.3-88.7-78.2000112.4V12 L18 L19 Q20V12-F16 HydrophobicContact CG1-CD2 3.7Å; V12-F16 HydrophobicContact CG1-CE2 3.7Å; V12-F16 WeakPolarHBondContact O-CD2 3.36Å; V12-F16 PolarHBondContact O-N 3.22Å; F16-L18 VanDerWaalsContact C-N 3.35Å; F16-L19 PolarHBondContact O-N 3.37Å; F16-Q20 WeakPolarHBondContact O-CG 3.47Å; F16-Q20 PolarHBondContact O-N 3.05Å; F16-Q20 VanDerWaalsContact O-N 3.09Å
17G82.3Confident75.6Confident33 Ų3393.1 Ų93.134%0.3452%0.517SS..Hα-helixtrans-61.4-42.8173.800000112.2F13 Q20 V21F13-G17 PolarHBondContact O-N 3.28Å; F13-G17 VanDerWaalsContact O-N 3.12Å; G17-Q20 PolarHBondContact O-N 2.87Å; G17-V21 WeakPolarHBondContact O-CG2 3.49Å; G17-V21 PolarHBondContact O-N 3.36Å; G17-V21 VanDerWaalsContact O-N 3.1Å
18L83.3Confident77.7Confident122 Ų12295 Ų9564%0.63952%0.522SS*.Hα-helixtrans-62.6-43.9176.6-124121.3000112.1G14 I15 F16 Q20 V21 V22G14-L18 WeakPolarHBondContact O-CB 3.36Å; G14-L18 PolarHBondContact O-N 3.23Å; I15-L18 PolarHBondContact O-N 3.44Å; F16-L18 VanDerWaalsContact C-N 3.35Å; L18-Q20 PolarHBondContact O-N 3.46Å; L18-V21 PolarHBondContact O-N 3.37Å; L18-V22 WeakPolarHBondContact O-CB 3.27Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.05Å
19L86.7Confident79.8Confident104 Ų10493.8 Ų93.855%0.54552%0.52SS..Hα-helixtrans-62.3-40.5178.4-76.1166.2000112.3I15 F16 V22 S23I15-L19 HydrophobicContact CG2-CD1 3.86Å; I15-L19 HydrophobicContact CG2-CG 4.4Å; I15-L19 WeakPolarHBondContact O-CG 3.39Å; I15-L19 PolarHBondContact O-N 3.09Å; F16-L19 PolarHBondContact O-N 3.37Å; L19-V22 PolarHBondContact O-N 3.43Å; L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 3.3Å
20Q86.9Confident81.7Confident133 Ų13394.5 Ų94.562%0.62152%0.524SS*.Hα-helixtrans-64.7-44.5176-73.6-178.7-10.800112F16 G17 L18 S23 L24F16-Q20 WeakPolarHBondContact O-CG 3.47Å; F16-Q20 PolarHBondContact O-N 3.05Å; F16-Q20 VanDerWaalsContact O-N 3.09Å; G17-Q20 PolarHBondContact O-N 2.87Å; L18-Q20 PolarHBondContact O-N 3.46Å; Q20-S23 PolarHBondContact O-N 3.36Å; Q20-L24 WeakPolarHBondContact O-CB 3.46Å; Q20-L24 WeakPolarHBondContact O-CG 3.36Å; Q20-L24 PolarHBondContact O-N 3.31Å
21V88.7Confident83.6Confident83 Ų8395.6 Ų95.650%0.50353%0.526SS..Hα-helixtrans-62.8-44.3176.9173.30000110.9G17 L18 S23 L24 L25G17-V21 WeakPolarHBondContact O-CG2 3.49Å; G17-V21 PolarHBondContact O-N 3.36Å; G17-V21 VanDerWaalsContact O-N 3.1Å; L18-V21 PolarHBondContact O-N 3.37Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.31Å; V21-L24 PolarHBondContact O-N 3.4Å; V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 WeakPolarHBondContact O-CD1 2.95Å; V21-L25 VanDerWaalsContact O-CG 3.32Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.69Å
22V91.3Very high85.4Confident88 Ų8894.9 Ų94.953%0.53352%0.521SS..Hα-helixtrans-62.1-41.7175.71710000111.4L18 L19 L25 G26L18-V22 WeakPolarHBondContact O-CB 3.27Å; L18-V22 VanDerWaalsContact O-CG2 3.25Å; L18-V22 WeakPolarHBondContact O-CG2 3.49Å; L18-V22 PolarHBondContact O-N 3.05Å; L19-V22 PolarHBondContact O-N 3.43Å; V22-L25 PolarHBondContact O-N 2.87Å; V22-G26 PolarHBondContact O-N 3.03Å
23S91Very high87.1Confident69 Ų6998 Ų9848%0.48353%0.53SS..Hα-helixtrans-64.5-44.7177-175.30000112.1L19 Q20 V21 G26 L27L19-S23 WeakPolarHBondContact O-CB 3.31Å; L19-S23 PolarHBondContact O-N 3.3Å; Q20-S23 PolarHBondContact O-N 3.36Å; V21-S23 VanDerWaalsContact C-N 3.35Å; V21-S23 PolarHBondContact O-N 3.31Å; S23-G26 PolarHBondContact O-N 3.01Å; S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.26Å
24L93Very high88.8Confident119 Ų11994 Ų9462%0.62352%0.52SS*.Hα-helixtrans-64.4-42.7177-73.6169.8000111.8Q20 V21 G26 L27 L28Q20-L24 WeakPolarHBondContact O-CB 3.46Å; Q20-L24 WeakPolarHBondContact O-CG 3.36Å; Q20-L24 PolarHBondContact O-N 3.31Å; V21-L24 PolarHBondContact O-N 3.4Å; L24-G26 VanDerWaalsContact C-N 3.33Å; L24-L27 PolarHBondContact O-N 3.09Å; L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 2.65Å
25L92.9Very high89.8Confident95 Ų9594.3 Ų94.350%0.49752%0.52SS..Hα-helixtrans-61-42.7173-77.4163.4000111.3V21 V22 L28 L29V21-L25 HydrophobicContact CG1-CD1 3.77Å; V21-L25 HydrophobicContact CG1-CG 4.47Å; V21-L25 WeakPolarHBondContact O-CB 3.37Å; V21-L25 WeakPolarHBondContact O-CD1 2.95Å; V21-L25 VanDerWaalsContact O-CG 3.32Å; V21-L25 WeakPolarHBondContact O-CG 3.32Å; V21-L25 PolarHBondContact O-N 2.69Å; V22-L25 PolarHBondContact O-N 2.87Å; L25-L28 PolarHBondContact O-N 2.91Å; L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 3.49Å
26G93.5Very high90.5Very high30 Ų3094.9 Ų94.931%0.30952%0.52SS..Hα-helixtrans-60.6-46.8175.400000112.7V22 S23 L24 L29 L30V22-G26 PolarHBondContact O-N 3.03Å; S23-G26 PolarHBondContact O-N 3.01Å; L24-G26 VanDerWaalsContact C-N 3.33Å; G26-L29 PolarHBondContact O-N 3.32Å; G26-L30 WeakPolarHBondContact O-CG 3.49Å; G26-L30 PolarHBondContact O-N 3.04Å
27L94.1Very high91.1Very high94 Ų9493.8 Ų93.849%0.49251%0.513SS..Hα-helixtrans-62.9-42.4175.7-73.4169.4000112S23 L24 L29 L30 L31S23-L27 WeakPolarHBondContact O-CG 3.49Å; S23-L27 PolarHBondContact O-N 3.26Å; L24-L27 PolarHBondContact O-N 3.09Å; L27-L29 PolarHBondContact O-N 3.4Å; L27-L30 PolarHBondContact O-N 3.38Å; L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.38Å
28L94.7Very high91.5Very high95 Ų9598.7 Ų98.750%0.49752%0.522SS..Hα-helixtrans-61.7-43.4175.8-178.363.6000111.5L24 L25 L30 L31 L32L24-L28 WeakPolarHBondContact O-CB 3.46Å; L24-L28 PolarHBondContact O-N 2.65Å; L25-L28 PolarHBondContact O-N 2.91Å; L28-L30 PolarHBondContact O-N 3.35Å; L28-L31 PolarHBondContact O-N 3.2Å; L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.99Å
29L94.2Very high92Very high110 Ų11098.4 Ų98.458%0.57652%0.52SS*.Hα-helixtrans-63.2-40.3175.5-72.6171.9000111.9L25 G26 L27 L32 K33L25-L29 WeakPolarHBondContact O-CB 3.47Å; L25-L29 VanDerWaalsContact O-CG 3.28Å; L25-L29 WeakPolarHBondContact O-CG 3.32Å; L25-L29 PolarHBondContact O-N 3.49Å; G26-L29 PolarHBondContact O-N 3.32Å; L27-L29 PolarHBondContact O-N 3.4Å; L29-L32 PolarHBondContact O-N 3.3Å; L29-K33 WeakPolarHBondContact O-CB 3.46Å; L29-K33 VanDerWaalsContact O-CG 3.25Å; L29-K33 WeakPolarHBondContact O-CG 3.5Å; L29-K33 PolarHBondContact O-N 3.14Å
30L93.9Very high92.2Very high113 Ų11397 Ų9759%0.59251%0.511SS*.Hα-helixtrans-64.1-42.9175-73.9169.5000112G26 L27 L28 K33 S34G26-L30 WeakPolarHBondContact O-CG 3.49Å; G26-L30 PolarHBondContact O-N 3.04Å; L27-L30 PolarHBondContact O-N 3.38Å; L28-L30 PolarHBondContact O-N 3.35Å; L30-K33 PolarHBondContact O-N 3.45Å; L30-S34 VanDerWaalsContact O-CB 3.31Å; L30-S34 WeakPolarHBondContact O-CB 3.42Å; L30-S34 PolarHBondContact O-N 3.25Å; L30-S34 PolarHBondContact O-OG 2.73Å
31L94.4Very high92.3Very high119 Ų11995.4 Ų95.462%0.62350%0.499SS*.Hα-helixtrans-64-45.7175.6-74.2171.6000111.5L27 L28 K33 S34 A35L27-L31 WeakPolarHBondContact O-CG 3.44Å; L27-L31 PolarHBondContact O-N 3.38Å; L28-L31 PolarHBondContact O-N 3.2Å; L31-K33 PolarHBondContact O-N 3.48Å; L31-S34 PolarHBondContact O-N 3.42Å; L31-A35 WeakPolarHBondContact O-CB 3.47Å; L31-A35 PolarHBondContact O-N 3.19Å
32L94.2Very high92.4Very high90 Ų9095 Ų9547%0.47149%0.492SS..Hα-helixtrans-60.8-43.2176-73.5171.4000111.6L28 L29 A35 Q36L28-L32 HydrophobicContact CD1-CG 4.48Å; L28-L32 HydrophobicContact CG-CD1 4.17Å; L28-L32 WeakPolarHBondContact O-CB 3.42Å; L28-L32 VanDerWaalsContact O-CG 3.28Å; L28-L32 WeakPolarHBondContact O-CG 3.47Å; L28-L32 PolarHBondContact O-N 2.99Å; L29-L32 PolarHBondContact O-N 3.3Å; L32-A35 PolarHBondContact O-N 3.09Å; L32-Q36 WeakPolarHBondContact O-CB 3.18Å; L32-Q36 VanDerWaalsContact O-CG 3.26Å; L32-Q36 WeakPolarHBondContact O-CG 3.43Å; L32-Q36 PolarHBondContact O-N 2.9Å
33K91.7Very high92.5Very high138 Ų13895.3 Ų95.360%0.648%0.484SS*.Hα-helixtrans-65.2-39.3175.3-74-69.4177.3-166.60112.2L29 L30 L31 Q36 Y37L29-K33 WeakPolarHBondContact O-CB 3.46Å; L29-K33 VanDerWaalsContact O-CG 3.25Å; L29-K33 WeakPolarHBondContact O-CG 3.5Å; L29-K33 PolarHBondContact O-N 3.14Å; L30-K33 PolarHBondContact O-N 3.45Å; L31-K33 PolarHBondContact O-N 3.48Å; K33-Q36 PolarHBondContact O-N 2.79Å; K33-Y37 VanDerWaalsContact O-CB 3.25Å; K33-Y37 WeakPolarHBondContact O-CB 3.27Å; K33-Y37 PolarHBondContact O-N 2.95Å
34S91.2Very high92.5Very high71 Ų7192.3 Ų92.350%0.49746%0.462SS..Hα-helixtrans-65.8-41.9176.3-59.10000111.6L30 L31 Y37 Y38L30-S34 VanDerWaalsContact O-CB 3.31Å; L30-S34 WeakPolarHBondContact O-CB 3.42Å; L30-S34 PolarHBondContact O-N 3.25Å; L30-S34 PolarHBondContact O-OG 2.73Å; L31-S34 PolarHBondContact O-N 3.42Å; S34-Y37 PolarHBondContact O-N 3.44Å; S34-Y38 WeakPolarHBondContact O-CB 3.28Å; S34-Y38 PolarHBondContact O-N 2.82Å
35A93.2Very high92.4Very high49 Ų4989.2 Ų89.241%0.40545%0.446SS..Hα-helixtrans-65-46174.500000111.7L31 L32 Y37 Y38 L39L31-A35 WeakPolarHBondContact O-CB 3.47Å; L31-A35 PolarHBondContact O-N 3.19Å; L32-A35 PolarHBondContact O-N 3.09Å; A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 PolarHBondContact O-N 3.13Å; A35-Y38 PolarHBondContact O-N 3.27Å; A35-L39 WeakPolarHBondContact O-CB 3.43Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 3.13Å
36Q91.7Very high92.3Very high109 Ų10992 Ų9251%0.50945%0.454SS..Hα-helixtrans-57.7-44.5173.9-76.2175.9-5.500111.7L32 K33 H40L32-Q36 WeakPolarHBondContact O-CB 3.18Å; L32-Q36 VanDerWaalsContact O-CG 3.26Å; L32-Q36 WeakPolarHBondContact O-CG 3.43Å; L32-Q36 PolarHBondContact O-N 2.9Å; K33-Q36 PolarHBondContact O-N 2.79Å; Q36-H40 VanDerWaalsContact O-CB 3.29Å; Q36-H40 WeakPolarHBondContact O-CB 3.3Å; Q36-H40 PolarHBondContact O-N 3.14Å
37Y89.4Confident92.3Very high105 Ų10591.5 Ų91.541%0.41245%0.446SS..Hα-helixtrans-61.3-47.1176.6178.5-88.5000111.6K33 S34 A35 H40 R41 G90 N91K33-Y37 VanDerWaalsContact O-CB 3.25Å; K33-Y37 WeakPolarHBondContact O-CB 3.27Å; K33-Y37 PolarHBondContact O-N 2.95Å; S34-Y37 PolarHBondContact O-N 3.44Å; A35-Y37 VanDerWaalsContact C-N 3.31Å; A35-Y37 PolarHBondContact O-N 3.13Å; Y37-H40 PolarHBondContact O-N 3.09Å; Y37-R41 WeakPolarHBondContact O-CB 3.45Å; Y37-R41 PolarHBondContact O-N 3.45Å; Y37-G90 WeakPolarHBondContact OH-CA 3.39Å; Y37-N91 HydrophobicContact CD2-CB 3.85Å; Y37-N91 HydrophobicContact CE2-CB 3.35Å
38Y91Very high92.2Very high136 Ų13687.5 Ų87.553%0.53343%0.425SS..Hα-helixtrans-61.8-49.4177.8177.6-99000111.9S34 A35 H40 R41 Q42S34-Y38 WeakPolarHBondContact O-CB 3.28Å; S34-Y38 PolarHBondContact O-N 2.82Å; A35-Y38 PolarHBondContact O-N 3.27Å; Y38-H40 PolarHBondContact O-N 3.12Å; Y38-R41 PolarHBondContact O-N 2.94Å; Y38-Q42 HydrophobicContact CD1-CG 4.18Å; Y38-Q42 HydrophobicContact CE1-CG 3.75Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 WeakPolarHBondContact O-CG 3.36Å; Y38-Q42 PolarHBondContact O-N 3.34Å; Y38-Q42 PolarHBondContact OH-NE2 2.94Å; Y38-Q42 VanDerWaalsContact OH-NE2 3.08Å
39L93.2Very high92Very high116 Ų11690.1 Ų90.161%0.60743%0.434SS*.Hα-helixtrans-61.3-43.3179.1-70.6173.6000111.8A35 R41 Q42 W43A35-L39 WeakPolarHBondContact O-CB 3.43Å; A35-L39 VanDerWaalsContact O-CG 3.28Å; A35-L39 WeakPolarHBondContact O-CG 3.41Å; A35-L39 PolarHBondContact O-N 3.13Å; L39-R41 PolarHBondContact O-N 3.44Å; L39-Q42 PolarHBondContact O-N 3.35Å; L39-W43 WeakPolarHBondContact O-CB 3.28Å; L39-W43 PolarHBondContact O-N 3.14Å
40H90.9Very high91.8Very high75 Ų7589.1 Ų89.135%0.34743%0.427SS..Hα-helixtrans-62.8-42.8175.7-17667.7000111.8Q36 Y37 Y38 W43 L44 N91Q36-H40 VanDerWaalsContact O-CB 3.29Å; Q36-H40 WeakPolarHBondContact O-CB 3.3Å; Q36-H40 PolarHBondContact O-N 3.14Å; Y37-H40 PolarHBondContact O-N 3.09Å; Y38-H40 PolarHBondContact O-N 3.12Å; H40-W43 AromaticContact CE1-CE3 3.8Å; H40-W43 AromaticContact CE1-CZ3 3.74Å; H40-W43 AromaticContact ND1-CE3 3.86Å; H40-W43 WeakPolarHBondContact O-CB 3.42Å; H40-W43 PolarHBondContact O-N 3.09Å; H40-L44 WeakPolarHBondContact O-CG 3.09Å; H40-L44 PolarHBondContact O-N 2.91Å; H40-N91 PolarHBondContact CD2-O 3.42Å; H40-N91 PolarHBondContact NE2-O 3.23Å
41R90.1Very high91.8Very high99 Ų9984.2 Ų84.237%0.37440%0.401SS..Hα-helixtrans-63.6-41.5176.4-173.3174.2-177.5-84.4-1.7112Y37 Y38 L39 L44 I45Y37-R41 WeakPolarHBondContact O-CB 3.45Å; Y37-R41 PolarHBondContact O-N 3.45Å; Y38-R41 PolarHBondContact O-N 2.94Å; L39-R41 PolarHBondContact O-N 3.44Å; R41-L44 PolarHBondContact O-N 2.88Å; R41-I45 HydrophobicContact CG-CD1 4.17Å; R41-I45 WeakPolarHBondContact O-CG1 3.48Å; R41-I45 PolarHBondContact O-N 2.92Å
42Q91.2Very high91.4Very high75 Ų7580.5 Ų80.535%0.3538%0.383SS..Hα-helixtrans-63.3-41.7175.2-72.3-62.6-11.300111.9Y38 L39 I45 K46Y38-Q42 HydrophobicContact CD1-CG 4.18Å; Y38-Q42 HydrophobicContact CE1-CG 3.75Å; Y38-Q42 HydrophobicContact CE2-CG 4.1Å; Y38-Q42 WeakPolarHBondContact O-CG 3.36Å; Y38-Q42 PolarHBondContact O-N 3.34Å; Y38-Q42 PolarHBondContact OH-NE2 2.94Å; Y38-Q42 VanDerWaalsContact OH-NE2 3.08Å; L39-Q42 PolarHBondContact O-N 3.35Å; Q42-I45 PolarHBondContact O-N 3.26Å; Q42-K46 WeakPolarHBondContact O-CB 3.39Å; Q42-K46 PolarHBondContact O-N 3.27Å
43W92.2Very high90.8Very high94 Ų9480.5 Ų80.536%0.35639%0.389SS..Hα-helixtrans-58.3-47.7173173.279.8000111.8L39 H40 I45 K46 S47 P404 F407L39-W43 WeakPolarHBondContact O-CB 3.28Å; L39-W43 PolarHBondContact O-N 3.14Å; H40-W43 AromaticContact CE1-CE3 3.8Å; H40-W43 AromaticContact CE1-CZ3 3.74Å; H40-W43 AromaticContact ND1-CE3 3.86Å; H40-W43 WeakPolarHBondContact O-CB 3.42Å; H40-W43 PolarHBondContact O-N 3.09Å; W43-I45 PolarHBondContact O-N 3Å; W43-K46 PolarHBondContact O-N 2.89Å; W43-S47 WeakPolarHBondContact O-CB 3.48Å; W43-S47 PolarHBondContact O-N 2.82Å; W43-S47 PolarHBondContact O-OG 2.86Å; W43-S47 VanDerWaalsContact O-OG 3.13Å; W43-P404 HydrophobicContact CH2-CG 4.17Å; W43-P404 HydrophobicContact CZ2-CB 4.06Å; W43-P404 HydrophobicContact CZ2-CG 3.4Å; W43-F407 AromaticContact CH2-CD2 3.94Å; W43-F407 HydrophobicContact CH2-CD2 3.94Å; W43-F407 HydrophobicContact CZ3-CD2 4.3Å
44L91.8Very high89.9Confident6 Ų674.4 Ų74.43%0.03137%0.365CS..Hα-helixtrans-58-50175.8-72.8174.4000111.9H40 R41 K46 S47 L48 W87 N91 A93 F407H40-L44 WeakPolarHBondContact O-CG 3.09Å; H40-L44 PolarHBondContact O-N 2.91Å; R41-L44 PolarHBondContact O-N 2.88Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.57Å; L44-S47 PolarHBondContact O-N 3.26Å; L44-L48 HydrophobicContact CB-CD1 4.36Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CD1 3.25Å; L44-L48 WeakPolarHBondContact O-CD1 3.46Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 2.87Å; L44-W87 HydrophobicContact CB-CH2 3.82Å; L44-W87 HydrophobicContact CB-CZ3 4.3Å; L44-W87 HydrophobicContact CD1-CH2 4.4Å; L44-W87 HydrophobicContact CD1-CZ3 4.04Å; L44-N91 WeakPolarHBondContact CD1-O 3.43Å; L44-A93 HydrophobicContact CD2-CB 4.49Å; L44-F407 HydrophobicContact CD2-CD2 4.33Å; L44-F407 HydrophobicContact CD2-CE2 3.56Å; L44-F407 HydrophobicContact CD2-CZ 4.01Å
45I90.1Very high88.7Confident55 Ų5573.1 Ų73.128%0.28235%0.354SS..Hα-helixtrans-56.5-49.4179.7-70.6168.4000110.2R41 Q42 W43 S47 L48 Q49 W87R41-I45 HydrophobicContact CG-CD1 4.17Å; R41-I45 WeakPolarHBondContact O-CG1 3.48Å; R41-I45 PolarHBondContact O-N 2.92Å; Q42-I45 PolarHBondContact O-N 3.26Å; W43-I45 PolarHBondContact O-N 3Å; I45-S47 PolarHBondContact O-N 3.37Å; I45-L48 PolarHBondContact O-N 3.29Å; I45-L48 VanDerWaalsContact O-N 3.15Å; I45-Q49 WeakPolarHBondContact O-CG 3.4Å; I45-Q49 PolarHBondContact O-N 3.16Å; I45-W87 HydrophobicContact CG1-CH2 3.86Å; I45-W87 HydrophobicContact CG1-CZ2 4.02Å
46K92Very high86.8Confident154 Ų15476.5 Ų76.567%0.6737%0.372SS*.Hα-helixtrans-60.4-45.5179.8-172.9177.6-179.1178.30112.1Q42 W43 L44 L48 Q49Q42-K46 WeakPolarHBondContact O-CB 3.39Å; Q42-K46 PolarHBondContact O-N 3.27Å; W43-K46 PolarHBondContact O-N 2.89Å; L44-K46 VanDerWaalsContact C-N 3.32Å; L44-K46 PolarHBondContact O-N 2.57Å; K46-L48 PolarHBondContact O-N 3.12Å; K46-Q49 PolarHBondContact O-N 3.42Å
47S92.1Very high84.9Confident19 Ų1973.9 Ų73.913%0.13337%0.365CS..Hα-helixtrans-65.7-24.1178.1-62.90000113.5W43 L44 I45W43-S47 WeakPolarHBondContact O-CB 3.48Å; W43-S47 PolarHBondContact O-N 2.82Å; W43-S47 PolarHBondContact O-OG 2.86Å; W43-S47 VanDerWaalsContact O-OG 3.13Å; L44-S47 PolarHBondContact O-N 3.26Å; I45-S47 PolarHBondContact O-N 3.37Å
48L92.5Very high83.2Confident10 Ų1074.7 Ų74.75%0.05237%0.372CS..Hα-helixtrans-94.9-5.6-175.7-70.4166.1000114.2L44 I45 K46 Q50 F51 V85 W87 A93 V95 F407L44-L48 HydrophobicContact CB-CD1 4.36Å; L44-L48 VanDerWaalsContact O-CB 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.31Å; L44-L48 VanDerWaalsContact O-CD1 3.25Å; L44-L48 WeakPolarHBondContact O-CD1 3.46Å; L44-L48 WeakPolarHBondContact O-CG 3.49Å; L44-L48 PolarHBondContact O-N 2.87Å; I45-L48 PolarHBondContact O-N 3.29Å; I45-L48 VanDerWaalsContact O-N 3.15Å; K46-L48 PolarHBondContact O-N 3.12Å; L48-Q50 PolarHBondContact O-N 3.04Å; L48-Q50 VanDerWaalsContact O-N 3.1Å; L48-F51 HydrophobicContact CD2-CD2 4.45Å; L48-F51 PolarHBondContact O-N 3.26Å; L48-V85 HydrophobicContact CB-CG1 4.44Å; L48-V85 HydrophobicContact CB-CG2 4.28Å; L48-V85 HydrophobicContact CD1-CG1 3.7Å; L48-V85 HydrophobicContact CD2-CB 4.41Å; L48-V85 HydrophobicContact CD2-CG1 3.82Å; L48-V85 HydrophobicContact CD2-CG2 3.72Å; L48-V85 HydrophobicContact CG-CG1 4.18Å; L48-V85 HydrophobicContact CG-CG2 4.47Å; L48-W87 HydrophobicContact CD1-CH2 4.17Å; L48-W87 HydrophobicContact CD1-CZ2 3.7Å; L48-A93 HydrophobicContact CD1-CB 3.45Å; L48-A93 VanDerWaalsContact CD1-CB 3.45Å; L48-V95 HydrophobicContact CD2-CG2 3.66Å; L48-F407 HydrophobicContact CD1-CZ 3.91Å; L48-F407 HydrophobicContact CD2-CE1 3.81Å; L48-F407 HydrophobicContact CD2-CE2 4.16Å; L48-F407 HydrophobicContact CD2-CZ 3.3Å; L48-F407 HydrophobicContact CG-CE2 4.13Å; L48-F407 HydrophobicContact CG-CZ 3.62Å
49Q91.3Very high81.1Confident149 Ų14979 Ų7970%0.69639%0.388SS*.THydrogen-bonded Turntrans-57-27.7-177.9-75.7176.8-2600113.8I45 K46 F51I45-Q49 WeakPolarHBondContact O-CG 3.4Å; I45-Q49 PolarHBondContact O-N 3.16Å; K46-Q49 PolarHBondContact O-N 3.42Å; Q49-F51 VanDerWaalsContact C-N 3.29Å
50Q90.6Very high79.1Confident90 Ų9078 Ų7842%0.42138%0.383SS..THydrogen-bonded Turntrans-79.2-10.4179.8-66.216973.500113.2L48 C401 S402L48-Q50 PolarHBondContact O-N 3.04Å; L48-Q50 VanDerWaalsContact O-N 3.1Å; Q50-C401 HydrophobicContact CB-CB 4.47Å; Q50-S402 PolarHBondContact NE2-OG 3.2Å; Q50-S402 PolarHBondContact OE1-OG 2.94Å
51F92.7Very high77.1Confident10 Ų1078.8 Ų78.84%0.04439%0.385CS..SBendtrans-115142.6-173.4-60.8-78.2000110.9L48 Q49 V85 V95 Y102 F397 C401 L403L48-F51 HydrophobicContact CD2-CD2 4.45Å; L48-F51 PolarHBondContact O-N 3.26Å; Q49-F51 VanDerWaalsContact C-N 3.29Å; F51-V85 HydrophobicContact CB-CG2 3.43Å; F51-V85 VanDerWaalsContact CB-CG2 3.43Å; F51-V95 HydrophobicContact CD1-CG1 4.1Å; F51-V95 HydrophobicContact CD2-CG2 4.14Å; F51-V95 HydrophobicContact CE1-CG1 4.39Å; F51-V95 HydrophobicContact CE2-CG2 4.46Å; F51-V95 HydrophobicContact CG-CG1 4.47Å; F51-V95 HydrophobicContact CG-CG2 4.17Å; F51-Y102 HydrophobicContact CE1-CE1 4.01Å; F51-F397 HydrophobicContact CE1-CD2 4.24Å; F51-F397 HydrophobicContact CE1-CE2 4.18Å; F51-F397 HydrophobicContact CZ-CD2 4.13Å; F51-F397 AromaticContact CZ-CE2 3.96Å; F51-F397 HydrophobicContact CZ-CE2 3.96Å; F51-C401 HydrophobicContact CE1-CB 3.78Å; F51-C401 HydrophobicContact CZ-CB 3.77Å; F51-L403 HydrophobicContact CD2-CD2 4.09Å; F51-L403 HydrophobicContact CE2-CD1 4.42Å; F51-L403 HydrophobicContact CE2-CD2 3.38Å; F51-L403 HydrophobicContact CE2-CG 3.69Å; F51-L403 HydrophobicContact CZ-CD1 4.24Å; F51-L403 HydrophobicContact CZ-CD2 3.99Å; F51-L403 HydrophobicContact CZ-CG 3.75Å
52P87.2Confident75.4Confident40 Ų4074.4 Ų74.426%0.2637%0.371SS..PPolyproline II helixtrans-68.4135.6-176.727.9-34000110.9F80 T83 Y84 V85P52-F80 HydrophobicContact CB-CD1 3.5Å; P52-F80 HydrophobicContact CB-CE1 3.69Å; P52-F80 HydrophobicContact CB-CG 4.09Å; P52-F80 HydrophobicContact CB-CZ 4.41Å; P52-F80 HydrophobicContact CG-CB 4.18Å; P52-F80 HydrophobicContact CG-CD1 3.94Å; P52-F80 HydrophobicContact CG-CG 4.1Å; P52-T83 WeakPolarHBondContact CG-O 3.41Å; P52-Y84 WeakPolarHBondContact O-CA 3.41Å; P52-V85 PolarHBondContact O-N 3Å
53P80.6Confident73.7Confident90 Ų9072.8 Ų72.858%0.58436%0.364SS*.BIsolated β-bridgetrans-72.1137.7177.629.6-33.6000110.8F80P53-F80 WeakPolarHBondContact O-CE2 2.98Å; P53-F80 WeakPolarHBondContact O-CZ 3.32Å
54A73.7Confident71.8Confident11 Ų1168.6 Ų68.69%0.09135%0.349CS..PPolyproline II helixtrans-58.7163.1164.800000111.4Y84 V85A54-Y84 HydrophobicContact CB-CD2 3.91Å; A54-Y84 HydrophobicContact CB-CE2 4.49Å; A54-V85 WeakPolarHBondContact CB-O 3.48Å; A54-V85 PolarHBondContact N-O 3.12Å; A54-V85 VanDerWaalsContact N-O 3.16Å
55P65.2Low69.7Low43 Ų4373.5 Ų73.528%0.27938%0.375SS..SBendtrans-47.3144.7170-25.333.8000111.5N63P55-N63 PolarHBondContact O-ND2 3.3Å
56P54.2Low68Low120 Ų12077.8 Ų77.878%0.77939%0.391SS*.PPolyproline II helixtrans-55.8122.9-161.318.2-30.3000111.1
57P51Low66.2Low55 Ų5574.6 Ų74.636%0.35738%0.382SS..PPolyproline II helixtrans-64.4146.7175.223.1-29.5000110.5W59 W87P57-W59 PolarHBondContact O-N 2.65Å; P57-W87 HydrophobicContact CG-CB 4.46Å
58Q53.5Low64.6Low121 Ų12178.4 Ų78.457%0.56540%0.397SS*.BIsolated β-bridgetrans-58.8130.2156.4-69.7-178.4-13.200107.8L60 F61 G62Q58-L60 PolarHBondContact O-N 2.95Å; Q58-F61 HydrophobicContact CB-CB 4.31Å; Q58-F61 PolarHBondContact O-N 3.46Å; Q58-G62 WeakPolarHBondContact O-CA 3.5Å; Q58-G62 PolarHBondContact O-N 2.93Å
59W47.1Very low63.8Low227 Ų22779 Ų7986%0.8640%0.401SS*.THydrogen-bonded Turntrans-51.6-38.4-164.1112.3-66000114.6P57P57-W59 PolarHBondContact O-N 2.65Å
60L50.6Low63.6Low96 Ų9672.3 Ų72.350%0.50337%0.37SS..THydrogen-bonded Turntrans-94.2-45-178.7-108156.1000111.7Q58Q58-L60 PolarHBondContact O-N 2.95Å
61F49.7Very low63.5Low91 Ų9173.4 Ų73.440%0.39938%0.375SS..THydrogen-bonded Turntrans-91.3-9.8-168.2-59.5-71.1000113.8Q58 T64 L65 W89Q58-F61 HydrophobicContact CB-CB 4.31Å; Q58-F61 PolarHBondContact O-N 3.46Å; F61-T64 WeakPolarHBondContact O-CB 3.41Å; F61-T64 WeakPolarHBondContact O-CG2 3.44Å; F61-T64 PolarHBondContact O-N 3.28Å; F61-T64 PolarHBondContact O-OG1 3.04Å; F61-L65 HydrophobicContact CB-CD1 3.74Å; F61-L65 HydrophobicContact CB-CG 4.42Å; F61-L65 HydrophobicContact CD1-CD1 4.11Å; F61-L65 HydrophobicContact CD2-CD1 4.46Å; F61-L65 HydrophobicContact CG-CD1 3.85Å; F61-W89 AromaticContact CD1-CH2 3.87Å; F61-W89 HydrophobicContact CD1-CH2 3.87Å; F61-W89 AromaticContact CD1-CZ3 3.53Å; F61-W89 HydrophobicContact CD1-CZ3 3.53Å; F61-W89 HydrophobicContact CE1-CZ3 4.09Å
62G55.1Low63.1Low7 Ų775.8 Ų75.87%0.07239%0.386CS..BIsolated β-bridgetrans59.5-148.2-174.800000112.2Q58Q58-G62 WeakPolarHBondContact O-CA 3.5Å; Q58-G62 PolarHBondContact O-N 2.93Å
63N54.4Low63.3Low40 Ų4074.5 Ų74.521%0.21438%0.377CS..THydrogen-bonded Turntrans-99.639.2173-66.3-21.1000111.5P55 R86P55-N63 PolarHBondContact O-ND2 3.3Å; N63-R86 PolarHBondContact O-NH2 3.35Å
64T53.1Low63.8Low6 Ų673 Ų734%0.03736%0.363CS..  trans-99.3-8.1-166.662.80000116F61 L88 R231F61-T64 WeakPolarHBondContact O-CB 3.41Å; F61-T64 WeakPolarHBondContact O-CG2 3.44Å; F61-T64 PolarHBondContact O-N 3.28Å; F61-T64 PolarHBondContact O-OG1 3.04Å; T64-L88 HydrophobicContact CG2-CD2 3.64Å; T64-R231 PolarHBondContact O-NE 3.24Å; T64-R231 VanDerWaalsContact O-NE 3.16Å; T64-R231 PolarHBondContact O-NH2 3.36Å
65L47Very low64.6Low109 Ų10977.1 Ų77.157%0.57138%0.383SS*.SBendtrans-98.2-11.5-164.6-74.6168.4000116.6F61F61-L65 HydrophobicContact CB-CD1 3.74Å; F61-L65 HydrophobicContact CB-CG 4.42Å; F61-L65 HydrophobicContact CD1-CD1 4.11Å; F61-L65 HydrophobicContact CD2-CD1 4.46Å; F61-L65 HydrophobicContact CG-CD1 3.85Å
66K54.5Low65.8Low145 Ų14575.1 Ų75.163%0.6337%0.371SS*.  trans-104.4135.7-175.6-63.7-172.6177.8-176.40113.8Q68 R231K66-Q68 HydrophobicContact CB-CB 4.28Å; K66-Q68 PolarHBondContact O-N 2.61Å; K66-R231 VanDerWaalsContact C-NH2 3.25Å; K66-R231 PolarHBondContact O-NH2 2.92Å
67D54.4Low67.6Low87 Ų8769.6 Ų69.647%0.46534%0.335SS..SBendtrans-56.8-10.1169.3-84.5-6.6000112.9D69 K497D67-D69 PolarHBondContact O-N 2.71Å; D67-K497 IonicContact OD2-NZ 3.44Å; D67-K497 PolarHBondContact OD2-NZ 3.1Å
68Q58.2Low69.5Low99 Ų9973.9 Ų73.946%0.46335%0.35SS..  trans-78.732.3178.4-63.6178.1-36.600113.9K66 L70 Q71 Q72K66-Q68 HydrophobicContact CB-CB 4.28Å; K66-Q68 PolarHBondContact O-N 2.61Å; Q68-L70 VanDerWaalsContact C-N 3.3Å; Q68-L70 PolarHBondContact O-N 3.32Å; Q68-Q71 HydrophobicContact CB-CB 4.37Å; Q68-Q71 PolarHBondContact O-N 3.23Å; Q68-Q72 WeakPolarHBondContact O-CB 3.48Å; Q68-Q72 PolarHBondContact O-N 3.33Å
69D76.4Confident71.3Confident23 Ų2374.8 Ų74.812%0.12335%0.352CS..Hα-helixtrans-61.8-37.3-173.1-158.837.8000112.3D67 I73 R86D67-D69 PolarHBondContact O-N 2.71Å; D69-I73 WeakPolarHBondContact O-CD1 3.49Å; D69-I73 VanDerWaalsContact O-CG1 3.24Å; D69-I73 WeakPolarHBondContact O-CG1 3.43Å; D69-I73 PolarHBondContact O-N 2.87Å; D69-R86 IonicContact OD1-CZ 2.71Å; D69-R86 IonicContact OD1-NH1 2.87Å; D69-R86 PolarHBondContact OD1-NH1 3.08Å; D69-R86 IonicContact OD1-NH2 3.68Å; D69-R86 PolarHBondContact OD1-NH2 2.93Å; D69-R86 IonicContact OD2-NH1 2.82Å
70L87.8Confident73.4Confident9 Ų965.3 Ų65.35%0.04732%0.317CS..Hα-helixtrans-70.8-45.6177.6-67.7173.8000112.3Q68 Q72 I73 L74 Y414 L488 L494Q68-L70 VanDerWaalsContact C-N 3.3Å; Q68-L70 PolarHBondContact O-N 3.32Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.13Å; L70-I73 HydrophobicContact CD2-CD1 4.42Å; L70-I73 WeakPolarHBondContact O-CA 3.48Å; L70-I73 WeakPolarHBondContact O-CB 3.47Å; L70-I73 PolarHBondContact O-N 3.38Å; L70-I73 VanDerWaalsContact O-N 3.08Å; L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.82Å; L70-Y414 HydrophobicContact CB-CE1 4Å; L70-Y414 HydrophobicContact CD2-CD1 3.54Å; L70-Y414 HydrophobicContact CD2-CD2 4.08Å; L70-Y414 HydrophobicContact CD2-CE1 3.73Å; L70-Y414 HydrophobicContact CD2-CE2 4.28Å; L70-Y414 HydrophobicContact CD2-CG 3.72Å; L70-Y414 HydrophobicContact CG-CE1 4.37Å; L70-L488 HydrophobicContact CD1-CB 3.79Å; L70-L488 HydrophobicContact CD1-CD2 4.42Å; L70-L494 HydrophobicContact CD1-CD1 3.67Å
71Q87.2Confident75Confident113 Ų11364.3 Ų64.353%0.52832%0.316SS..Hα-helixtrans-59.4-41.8175.3-71.1178.2-25.900111Q68 I73 L74 L75Q68-Q71 HydrophobicContact CB-CB 4.37Å; Q68-Q71 PolarHBondContact O-N 3.23Å; Q71-I73 VanDerWaalsContact C-N 3.32Å; Q71-I73 PolarHBondContact O-N 2.94Å; Q71-L74 PolarHBondContact O-N 2.79Å; Q71-L75 WeakPolarHBondContact O-CG 3.24Å; Q71-L75 PolarHBondContact O-N 3.49Å
72Q85.4Confident77Confident59 Ų5961 Ų6128%0.27630%0.304SS..Hα-helixtrans-63.9-37.4175.6-171.461.951.400112.3Q68 L70 C76Q68-Q72 WeakPolarHBondContact O-CB 3.48Å; Q68-Q72 PolarHBondContact O-N 3.33Å; L70-Q72 VanDerWaalsContact C-N 3.27Å; L70-Q72 PolarHBondContact O-N 3.13Å; Q72-C76 PolarHBondContact O-N 2.92Å; Q72-C76 VanDerWaalsContact O-N 3.1Å; Q72-C76 PolarHBondContact O-SG 3.31Å; Q72-C76 VanDerWaalsContact O-SG 3.32Å
73I90Very high79Confident14 Ų1460.9 Ų60.97%0.07230%0.302CS..Hα-helixtrans-61.3-47.9172.6-72.6162.2000109.9D69 L70 Q71 C76 V77 Y414D69-I73 WeakPolarHBondContact O-CD1 3.49Å; D69-I73 VanDerWaalsContact O-CG1 3.24Å; D69-I73 WeakPolarHBondContact O-CG1 3.43Å; D69-I73 PolarHBondContact O-N 2.87Å; L70-I73 HydrophobicContact CD2-CD1 4.42Å; L70-I73 WeakPolarHBondContact O-CA 3.48Å; L70-I73 WeakPolarHBondContact O-CB 3.47Å; L70-I73 PolarHBondContact O-N 3.38Å; L70-I73 VanDerWaalsContact O-N 3.08Å; Q71-I73 VanDerWaalsContact C-N 3.32Å; Q71-I73 PolarHBondContact O-N 2.94Å; I73-C76 PolarHBondContact O-N 3.2Å; I73-V77 HydrophobicContact CG2-CG2 4.02Å; I73-V77 WeakPolarHBondContact O-CB 3.45Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.15Å; I73-Y414 HydrophobicContact CG2-CD1 4.25Å
74L91.3Very high80.8Confident57 Ų5759.1 Ų59.130%0.29829%0.293SS..Hα-helixtrans-60.7-46.9180-64.8178.5000112.1L70 Q71 C76 V77 E78 Y414 H418L70-L74 WeakPolarHBondContact O-CG 3.41Å; L70-L74 PolarHBondContact O-N 2.82Å; Q71-L74 PolarHBondContact O-N 2.79Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.37Å; L74-V77 PolarHBondContact O-N 2.95Å; L74-V77 VanDerWaalsContact O-N 3.09Å; L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 PolarHBondContact O-N 3.47Å; L74-Y414 HydrophobicContact CD1-CE1 4.19Å; L74-Y414 HydrophobicContact CD2-CD1 4.31Å; L74-Y414 HydrophobicContact CD2-CE1 3.65Å; L74-Y414 HydrophobicContact CG-CE1 3.84Å; L74-H418 HydrophobicContact CD2-CB 3.39Å
75L90.3Very high82.7Confident98 Ų9859 Ų5951%0.51329%0.292SS..Hα-helixtrans-58.3-39.6176.1-70172.5000112.3Q71 K79Q71-L75 WeakPolarHBondContact O-CG 3.24Å; Q71-L75 PolarHBondContact O-N 3.49Å; L75-K79 WeakPolarHBondContact O-CB 3.48Å; L75-K79 PolarHBondContact O-N 3.23Å; L75-K79 VanDerWaalsContact O-N 3.14Å
76C91.2Very high84.6Confident2 Ų254.3 Ų54.31%0.01427%0.266CS..Hα-helixtrans-71.3-37.3175.9-71.60000112.5Q72 I73 L74 K79 F80 Y84 Y98Q72-C76 PolarHBondContact O-N 2.92Å; Q72-C76 VanDerWaalsContact O-N 3.1Å; Q72-C76 PolarHBondContact O-SG 3.31Å; Q72-C76 VanDerWaalsContact O-SG 3.32Å; I73-C76 PolarHBondContact O-N 3.2Å; L74-C76 VanDerWaalsContact C-N 3.27Å; L74-C76 PolarHBondContact O-N 3.37Å; C76-K79 PolarHBondContact O-N 3.28Å; C76-F80 HydrophobicContact CB-CD2 4.49Å; C76-F80 WeakPolarHBondContact O-CB 3.48Å; C76-F80 WeakPolarHBondContact O-CD2 3.35Å; C76-F80 PolarHBondContact O-N 3.44Å; C76-Y84 HydrophobicContact CB-CD1 3.43Å; C76-Y84 VanDerWaalsContact CB-CD1 3.43Å; C76-Y84 HydrophobicContact CB-CE1 3.42Å; C76-Y84 VanDerWaalsContact CB-CE1 3.42Å; C76-Y84 HydrophobicContact CB-CE2 4.45Å; C76-Y84 HydrophobicContact CB-CG 4.03Å; C76-Y98 PolarHBondContact O-OH 3.48Å
77V92.4Very high86Confident3 Ų349.8 Ų49.82%0.01825%0.245CC..Hα-helixtrans-67.1-38.6178.3167.90000111.2I73 L74 F80 Y98 N419I73-V77 HydrophobicContact CG2-CG2 4.02Å; I73-V77 WeakPolarHBondContact O-CB 3.45Å; I73-V77 WeakPolarHBondContact O-CG2 3.42Å; I73-V77 PolarHBondContact O-N 3.15Å; L74-V77 PolarHBondContact O-N 2.95Å; L74-V77 VanDerWaalsContact O-N 3.09Å; V77-F80 VanDerWaalsContact O-O 3.05Å; V77-Y98 HydrophobicContact CB-CD2 4.36Å; V77-Y98 HydrophobicContact CB-CE2 4.08Å; V77-Y98 HydrophobicContact CG1-CD2 4.13Å; V77-Y98 HydrophobicContact CG1-CE2 4.12Å; V77-Y98 HydrophobicContact CG2-CD1 4.06Å; V77-Y98 HydrophobicContact CG2-CD2 3.76Å; V77-Y98 HydrophobicContact CG2-CE1 4.11Å; V77-Y98 HydrophobicContact CG2-CE2 3.76Å; V77-Y98 HydrophobicContact CG2-CG 3.89Å; V77-N419 HydrophobicContact CG1-CB 3.85Å
78E90.5Very high86.9Confident146 Ų14647 Ų4768%0.68223%0.231SC*.Hα-helixtrans-66.5-42.2174.7-173.3178.9-17300111.3L74L74-E78 WeakPolarHBondContact O-CB 3.45Å; L74-E78 PolarHBondContact O-N 3.47Å
79K90.5Very high87.3Confident139 Ų13945 Ų4560%0.60422%0.219SC*.Hα-helixtrans-76.1-37.2-178.6-174.3172.9-179.9174.90114.1L75 C76L75-K79 WeakPolarHBondContact O-CB 3.48Å; L75-K79 PolarHBondContact O-N 3.23Å; L75-K79 VanDerWaalsContact O-N 3.14Å; C76-K79 PolarHBondContact O-N 3.28Å
80F91.4Very high86.9Confident28 Ų2844.8 Ų44.812%0.12322%0.222CC..SBendtrans-123.2123.7-174-54.6-66.5000110P52 P53 C76 V77 S82 T83 Y98P52-F80 HydrophobicContact CB-CD1 3.5Å; P52-F80 HydrophobicContact CB-CE1 3.69Å; P52-F80 HydrophobicContact CB-CG 4.09Å; P52-F80 HydrophobicContact CB-CZ 4.41Å; P52-F80 HydrophobicContact CG-CB 4.18Å; P52-F80 HydrophobicContact CG-CD1 3.94Å; P52-F80 HydrophobicContact CG-CG 4.1Å; P53-F80 WeakPolarHBondContact O-CE2 2.98Å; P53-F80 WeakPolarHBondContact O-CZ 3.32Å; C76-F80 HydrophobicContact CB-CD2 4.49Å; C76-F80 WeakPolarHBondContact O-CB 3.48Å; C76-F80 WeakPolarHBondContact O-CD2 3.35Å; C76-F80 PolarHBondContact O-N 3.44Å; V77-F80 VanDerWaalsContact O-O 3.05Å; F80-S82 PolarHBondContact O-N 3.26Å; F80-T83 WeakPolarHBondContact CB-O 3.42Å; F80-Y98 WeakPolarHBondContact CB-OH 3.35Å; F80-Y98 WeakPolarHBondContact O-CE2 3.32Å; F80-Y98 PolarHBondContact O-OH 2.97Å
81P83.9Confident86.5Confident75 Ų7546.1 Ų46.149%0.48723%0.229SC..SBendtrans-71.6-25.4-163.824.9-34.9000115.5N419 R421P81-N419 PolarHBondContact O-ND2 3.45Å; P81-N419 VanDerWaalsContact O-ND2 3.1Å; P81-R421 PolarHBondContact O-NH2 3.19Å
82S92.8Very high86.2Confident21 Ų2143 Ų4315%0.14722%0.215CC..SBendtrans-130.8-48.5-166-57.30000114.5F80 Y98 D99 R421F80-S82 PolarHBondContact O-N 3.26Å; S82-Y98 PolarHBondContact O-N 3.02Å; S82-Y98 VanDerWaalsContact O-N 3.11Å; S82-D99 PolarHBondContact O-N 2.9Å; S82-D99 PolarHBondContact OG-OD2 3.41Å; S82-R421 PolarHBondContact OG-NH2 2.88Å
83T95.4Very high86.3Confident5 Ų540.5 Ų40.53%0.03120%0.204CC..EExtended strand (participates in β ladder)trans-147.3164.9-177.169.50000110.2P52 F80 V95 V96 I97 Y98 Y102P52-T83 WeakPolarHBondContact CG-O 3.41Å; F80-T83 WeakPolarHBondContact CB-O 3.42Å; T83-V95 HydrophobicContact CG2-CG1 4.2Å; T83-V96 CarbonylContact C-O 3.56Å; T83-V96 WeakPolarHBondContact CA-O 3.01Å; T83-V96 VanDerWaalsContact CB-O 3.31Å; T83-V96 WeakPolarHBondContact CB-O 3.21Å; T83-I97 HydrophobicContact CG2-CB 4.46Å; T83-I97 HydrophobicContact CG2-CG1 4.01Å; T83-Y98 PolarHBondContact O-OH 3.22Å; T83-Y102 HydrophobicContact CG2-CD1 3.54Å; T83-Y102 HydrophobicContact CG2-CE1 3.5Å; T83-Y102 VanDerWaalsContact CG2-CE1 3.5Å; T83-Y102 HydrophobicContact CG2-CG 4.23Å
84Y93.7Very high86.4Confident4 Ų442.2 Ų42.22%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-148.1157.2161.966.4-96.2000111.2P52 A54 C76 R86 V96 Y98P52-Y84 WeakPolarHBondContact O-CA 3.41Å; A54-Y84 HydrophobicContact CB-CD2 3.91Å; A54-Y84 HydrophobicContact CB-CE2 4.49Å; C76-Y84 HydrophobicContact CB-CD1 3.43Å; C76-Y84 VanDerWaalsContact CB-CD1 3.43Å; C76-Y84 HydrophobicContact CB-CE1 3.42Å; C76-Y84 VanDerWaalsContact CB-CE1 3.42Å; C76-Y84 HydrophobicContact CB-CE2 4.45Å; C76-Y84 HydrophobicContact CB-CG 4.03Å; Y84-R86 HydrophobicContact CD2-CB 4.36Å; Y84-R86 HydrophobicContact CE2-CB 3.95Å; Y84-V96 HydrophobicContact CD1-CB 4.24Å; Y84-V96 HydrophobicContact CD2-CB 4.22Å; Y84-V96 HydrophobicContact CD2-CG2 4.25Å; Y84-V96 HydrophobicContact CE1-CB 3.82Å; Y84-V96 HydrophobicContact CE1-CG1 3.79Å; Y84-V96 HydrophobicContact CE1-CG2 4.42Å; Y84-V96 HydrophobicContact CE2-CB 3.85Å; Y84-V96 HydrophobicContact CE2-CG1 4.46Å; Y84-V96 HydrophobicContact CE2-CG2 3.62Å; Y84-V96 HydrophobicContact CG-CB 4.41Å; Y84-V96 PolarHBondContact N-O 3.41Å; Y84-V96 PolarHBondContact O-N 3.38Å; Y84-Y98 HydrophobicContact CD1-CD1 4.48Å; Y84-Y98 AromaticContact CD1-CE1 3.39Å; Y84-Y98 HydrophobicContact CD1-CE1 3.39Å; Y84-Y98 AromaticContact CD1-CZ 3.9Å; Y84-Y98 HydrophobicContact CE1-CD1 4.37Å; Y84-Y98 AromaticContact CE1-CE1 3.62Å; Y84-Y98 HydrophobicContact CE1-CE1 3.62Å
85V91.7Very high86.5Confident3 Ų339.5 Ų39.52%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-87122.4176.1-179.20000110.3L48 F51 P52 A54 A93L48-V85 HydrophobicContact CB-CG1 4.44Å; L48-V85 HydrophobicContact CB-CG2 4.28Å; L48-V85 HydrophobicContact CD1-CG1 3.7Å; L48-V85 HydrophobicContact CD2-CB 4.41Å; L48-V85 HydrophobicContact CD2-CG1 3.82Å; L48-V85 HydrophobicContact CD2-CG2 3.72Å; L48-V85 HydrophobicContact CG-CG1 4.18Å; L48-V85 HydrophobicContact CG-CG2 4.47Å; F51-V85 HydrophobicContact CB-CG2 3.43Å; F51-V85 VanDerWaalsContact CB-CG2 3.43Å; P52-V85 PolarHBondContact O-N 3Å; A54-V85 WeakPolarHBondContact CB-O 3.48Å; A54-V85 PolarHBondContact N-O 3.12Å; A54-V85 VanDerWaalsContact N-O 3.16Å; V85-A93 HydrophobicContact CG1-CB 4.5Å
86R87.3Confident86.8Confident11 Ų1135 Ų354%0.04217%0.171CC..EExtended strand (participates in β ladder)trans-108.9117.6172-168.6170.9178176.34.9110.9N63 D69 Y84 A93 R94 V96N63-R86 PolarHBondContact O-NH2 3.35Å; D69-R86 IonicContact OD1-CZ 2.71Å; D69-R86 IonicContact OD1-NH1 2.87Å; D69-R86 PolarHBondContact OD1-NH1 3.08Å; D69-R86 IonicContact OD1-NH2 3.68Å; D69-R86 PolarHBondContact OD1-NH2 2.93Å; D69-R86 IonicContact OD2-NH1 2.82Å; Y84-R86 HydrophobicContact CD2-CB 4.36Å; Y84-R86 HydrophobicContact CE2-CB 3.95Å; R86-A93 WeakPolarHBondContact O-CA 3.48Å; R86-R94 HydrophobicContact CB-CG 4.09Å; R86-R94 PolarHBondContact N-O 3.49Å; R86-R94 PolarHBondContact O-N 3.4Å; R86-V96 HydrophobicContact CB-CG2 3.95Å
87W83.3Confident87.1Confident49 Ų4934.9 Ų34.919%0.18617%0.171CC..EExtended strand (participates in β ladder)trans-82.4135.3169.6-6988.3000110.9L44 I45 L48 P57 G90 H92 A93L44-W87 HydrophobicContact CB-CH2 3.82Å; L44-W87 HydrophobicContact CB-CZ3 4.3Å; L44-W87 HydrophobicContact CD1-CH2 4.4Å; L44-W87 HydrophobicContact CD1-CZ3 4.04Å; I45-W87 HydrophobicContact CG1-CH2 3.86Å; I45-W87 HydrophobicContact CG1-CZ2 4.02Å; L48-W87 HydrophobicContact CD1-CH2 4.17Å; L48-W87 HydrophobicContact CD1-CZ2 3.7Å; P57-W87 HydrophobicContact CG-CB 4.46Å; W87-G90 WeakPolarHBondContact CZ3-O 3.41Å; W87-H92 WeakPolarHBondContact CA-O 3.49Å; W87-A93 HydrophobicContact CD2-CB 3.92Å; W87-A93 HydrophobicContact CE3-CB 3.84Å; W87-A93 HydrophobicContact CH2-CB 4.24Å; W87-A93 HydrophobicContact CZ2-CB 4.32Å; W87-A93 HydrophobicContact CZ3-CB 4.01Å
88L73.3Confident87.2Confident30 Ų3034.7 Ų34.716%0.15717%0.17CC..EExtended strand (participates in β ladder)trans-124.5116.4174.2-62.4171.6000106.5T64 H92T64-L88 HydrophobicContact CG2-CD2 3.64Å; L88-H92 HydrophobicContact CB-CB 4.28Å; L88-H92 PolarHBondContact N-O 3.31Å; L88-H92 CarbonylContact O-C 3.57Å; L88-H92 WeakPolarHBondContact O-CA 3.24Å; L88-H92 WeakPolarHBondContact O-CB 3.38Å; L88-H92 PolarHBondContact O-N 2.91Å
89W66.6Low87.5Confident56 Ų5628.1 Ų28.121%0.21214%0.139CC..THydrogen-bonded Turntrans47.879.3171.8-53.4105.2000114.7F61 N91 H92 R231F61-W89 AromaticContact CD1-CH2 3.87Å; F61-W89 HydrophobicContact CD1-CH2 3.87Å; F61-W89 AromaticContact CD1-CZ3 3.53Å; F61-W89 HydrophobicContact CD1-CZ3 3.53Å; F61-W89 HydrophobicContact CE1-CZ3 4.09Å; W89-N91 VanDerWaalsContact C-N 3.33Å; W89-N91 PolarHBondContact O-N 2.9Å; W89-N91 PolarHBondContact O-OD1 2.93Å; W89-H92 PolarHBondContact O-ND1 3.11Å; W89-R231 VanDerWaalsContact CZ2-O 3.24Å; W89-R231 WeakPolarHBondContact CZ2-O 3.39Å
90G70Confident87.8Confident19 Ų1921.5 Ų21.520%0.19611%0.111CC..THydrogen-bonded Turntrans62.7-75.5167.600000116.9Y37 W87Y37-G90 WeakPolarHBondContact OH-CA 3.39Å; W87-G90 WeakPolarHBondContact CZ3-O 3.41Å
91N78.2Confident88.1Confident36 Ų3624 Ų2419%0.19313%0.125CC..THydrogen-bonded Turntrans-108.518.4-173.169.4-40000114.3Y37 H40 L44 W89Y37-N91 HydrophobicContact CD2-CB 3.85Å; Y37-N91 HydrophobicContact CE2-CB 3.35Å; H40-N91 PolarHBondContact CD2-O 3.42Å; H40-N91 PolarHBondContact NE2-O 3.23Å; L44-N91 WeakPolarHBondContact CD1-O 3.43Å; W89-N91 VanDerWaalsContact C-N 3.33Å; W89-N91 PolarHBondContact O-N 2.9Å; W89-N91 PolarHBondContact O-OD1 2.93Å
92H81.1Confident88.7Confident49 Ų4920.7 Ų20.723%0.22710%0.103CC..EExtended strand (participates in β ladder)trans-121.6135.5169.9-47.584.5000110.2W87 L88 W89 R116W87-H92 WeakPolarHBondContact CA-O 3.49Å; L88-H92 HydrophobicContact CB-CB 4.28Å; L88-H92 PolarHBondContact N-O 3.31Å; L88-H92 CarbonylContact O-C 3.57Å; L88-H92 WeakPolarHBondContact O-CA 3.24Å; L88-H92 WeakPolarHBondContact O-CB 3.38Å; L88-H92 PolarHBondContact O-N 2.91Å; W89-H92 PolarHBondContact O-ND1 3.11Å; H92-R116 PolarHBondContact CD2-NH1 3.37Å; H92-R116 PolarHBondContact CE1-NH1 3.44Å; H92-R116 VanDerWaalsContact CG-NH1 3.33Å; H92-R116 PolarHBondContact ND1-NH1 3.29Å; H92-R116 PolarHBondContact NE2-NH1 3.47Å
93A88.2Confident88.9Confident5 Ų519.7 Ų19.74%0.04110%0.096CC..EExtended strand (participates in β ladder)trans-137.8153.1174.500000108.8L44 L48 V85 R86 W87 F407L44-A93 HydrophobicContact CD2-CB 4.49Å; L48-A93 HydrophobicContact CD1-CB 3.45Å; L48-A93 VanDerWaalsContact CD1-CB 3.45Å; V85-A93 HydrophobicContact CG1-CB 4.5Å; R86-A93 WeakPolarHBondContact O-CA 3.48Å; W87-A93 HydrophobicContact CD2-CB 3.92Å; W87-A93 HydrophobicContact CE3-CB 3.84Å; W87-A93 HydrophobicContact CH2-CB 4.24Å; W87-A93 HydrophobicContact CZ2-CB 4.32Å; W87-A93 HydrophobicContact CZ3-CB 4.01Å; A93-F407 HydrophobicContact CB-CZ 4.48Å
94R91Very high89Confident50 Ų5025.2 Ų25.219%0.18912%0.12CC..EExtended strand (participates in β ladder)trans-138.8145.517264.9-165.9-172.7170.6-7.2109.4R86 V96 L408 T410R86-R94 HydrophobicContact CB-CG 4.09Å; R86-R94 PolarHBondContact N-O 3.49Å; R86-R94 PolarHBondContact O-N 3.4Å; R94-V96 HydrophobicContact CG-CG2 4.33Å; R94-L408 VanDerWaalsContact CA-O 3.24Å; R94-L408 WeakPolarHBondContact CA-O 3.22Å; R94-L408 HydrophobicContact CB-CB 4.18Å; R94-L408 WeakPolarHBondContact CB-O 3.43Å; R94-T410 VanDerWaalsContact CD-OG1 3.29Å; R94-T410 WeakPolarHBondContact CD-OG1 3.44Å; R94-T410 PolarHBondContact NH1-OG1 2.78Å
95V94.6Very high89.2Confident0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-86120.1167.5179.90000107.7L48 F51 T83 I97 L403 F407 L408 V409 T410L48-V95 HydrophobicContact CD2-CG2 3.66Å; F51-V95 HydrophobicContact CD1-CG1 4.1Å; F51-V95 HydrophobicContact CD2-CG2 4.14Å; F51-V95 HydrophobicContact CE1-CG1 4.39Å; F51-V95 HydrophobicContact CE2-CG2 4.46Å; F51-V95 HydrophobicContact CG-CG1 4.47Å; F51-V95 HydrophobicContact CG-CG2 4.17Å; T83-V95 HydrophobicContact CG2-CG1 4.2Å; V95-I97 HydrophobicContact CG1-CG1 3.99Å; V95-L403 HydrophobicContact CB-CD1 4.14Å; V95-L403 HydrophobicContact CG2-CD1 3.85Å; V95-L403 HydrophobicContact CG2-CD2 3.96Å; V95-L403 HydrophobicContact CG2-CG 4.5Å; V95-F407 HydrophobicContact CG2-CD1 4.48Å; V95-F407 HydrophobicContact CG2-CE1 3.91Å; V95-L408 PolarHBondContact N-O 2.97Å; V95-V409 CarbonylContact O-C 3.59Å; V95-V409 WeakPolarHBondContact O-CA 3.48Å; V95-T410 PolarHBondContact O-N 3.02Å
96V95.5Very high89.4Confident3 Ų327.1 Ų27.12%0.01813%0.131CC..EExtended strand (participates in β ladder)trans-89.3122.6172.6-174.90000107.5T83 Y84 R86 R94 Y98 T410T83-V96 CarbonylContact C-O 3.56Å; T83-V96 WeakPolarHBondContact CA-O 3.01Å; T83-V96 VanDerWaalsContact CB-O 3.31Å; T83-V96 WeakPolarHBondContact CB-O 3.21Å; Y84-V96 HydrophobicContact CD1-CB 4.24Å; Y84-V96 HydrophobicContact CD2-CB 4.22Å; Y84-V96 HydrophobicContact CD2-CG2 4.25Å; Y84-V96 HydrophobicContact CE1-CB 3.82Å; Y84-V96 HydrophobicContact CE1-CG1 3.79Å; Y84-V96 HydrophobicContact CE1-CG2 4.42Å; Y84-V96 HydrophobicContact CE2-CB 3.85Å; Y84-V96 HydrophobicContact CE2-CG1 4.46Å; Y84-V96 HydrophobicContact CE2-CG2 3.62Å; Y84-V96 HydrophobicContact CG-CB 4.41Å; Y84-V96 PolarHBondContact N-O 3.41Å; Y84-V96 PolarHBondContact O-N 3.38Å; R86-V96 HydrophobicContact CB-CG2 3.95Å; R94-V96 HydrophobicContact CG-CG2 4.33Å; V96-Y98 HydrophobicContact CG1-CD1 4.26Å; V96-T410 CarbonylContact C-O 3.34Å; V96-T410 WeakPolarHBondContact CA-O 3.5Å
97I97.2Very high89.9Confident0 Ų027 Ų270%013%0.131CC..EExtended strand (participates in β ladder)trans-111.7134.6-174.1-62.6174.7000108.7T83 V95 Y102 M103 I106 F397 V409 T410 L411 S412T83-I97 HydrophobicContact CG2-CB 4.46Å; T83-I97 HydrophobicContact CG2-CG1 4.01Å; V95-I97 HydrophobicContact CG1-CG1 3.99Å; I97-Y102 HydrophobicContact CD1-CD1 4.27Å; I97-Y102 HydrophobicContact CG1-CD1 4.32Å; I97-Y102 HydrophobicContact CG2-CD1 4.34Å; I97-Y102 HydrophobicContact CG2-CG 4.29Å; I97-M103 HydrophobicContact CG2-CE 4.26Å; I97-M103 HydrophobicContact CG2-CG 4.24Å; I97-M103 HydrophobicContact CG2-SD 4.41Å; I97-M103 WeakPolarHBondContact O-CE 3.45Å; I97-I106 HydrophobicContact CD1-CG1 3.88Å; I97-F397 HydrophobicContact CD1-CE1 4.25Å; I97-F397 HydrophobicContact CD1-CZ 4.01Å; I97-V409 HydrophobicContact CD1-CB 4.09Å; I97-V409 HydrophobicContact CD1-CG1 4.26Å; I97-T410 PolarHBondContact N-O 3.03Å; I97-L411 HydrophobicContact CB-CD2 4.31Å; I97-L411 HydrophobicContact CD1-CD2 4.4Å; I97-L411 HydrophobicContact CG2-CD2 4.47Å; I97-S412 PolarHBondContact O-N 2.89Å
98Y96.2Very high90.5Very high0 Ų027.5 Ų27.50%015%0.152CC..  trans-150.627.4174.446.8-88.1000111.4C76 V77 F80 S82 T83 Y84 V96 L416C76-Y98 PolarHBondContact O-OH 3.48Å; V77-Y98 HydrophobicContact CB-CD2 4.36Å; V77-Y98 HydrophobicContact CB-CE2 4.08Å; V77-Y98 HydrophobicContact CG1-CD2 4.13Å; V77-Y98 HydrophobicContact CG1-CE2 4.12Å; V77-Y98 HydrophobicContact CG2-CD1 4.06Å; V77-Y98 HydrophobicContact CG2-CD2 3.76Å; V77-Y98 HydrophobicContact CG2-CE1 4.11Å; V77-Y98 HydrophobicContact CG2-CE2 3.76Å; V77-Y98 HydrophobicContact CG2-CG 3.89Å; F80-Y98 WeakPolarHBondContact CB-OH 3.35Å; F80-Y98 WeakPolarHBondContact O-CE2 3.32Å; F80-Y98 PolarHBondContact O-OH 2.97Å; S82-Y98 PolarHBondContact O-N 3.02Å; S82-Y98 VanDerWaalsContact O-N 3.11Å; T83-Y98 PolarHBondContact O-OH 3.22Å; Y84-Y98 HydrophobicContact CD1-CD1 4.48Å; Y84-Y98 AromaticContact CD1-CE1 3.39Å; Y84-Y98 HydrophobicContact CD1-CE1 3.39Å; Y84-Y98 AromaticContact CD1-CZ 3.9Å; Y84-Y98 HydrophobicContact CE1-CD1 4.37Å; Y84-Y98 AromaticContact CE1-CE1 3.62Å; Y84-Y98 HydrophobicContact CE1-CE1 3.62Å; V96-Y98 HydrophobicContact CG1-CD1 4.26Å; Y98-L416 VanDerWaalsContact O-CD1 3.29Å; Y98-L416 WeakPolarHBondContact O-CD1 3.42Å
99D96.5Very high91.5Very high7 Ų728.8 Ų28.84%0.03716%0.155CC..  trans-103133.3171.5177.5-88.7000110.2S82 D101 Y102 M103 R421S82-D99 PolarHBondContact O-N 2.9Å; S82-D99 PolarHBondContact OG-OD2 3.41Å; D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 3.46Å; D99-D101 WeakPolarHBondContact OD1-CA 3.34Å; D99-D101 WeakPolarHBondContact OD1-CB 3.48Å; D99-D101 PolarHBondContact OD1-N 3.46Å; D99-Y102 HydrophobicContact CB-CD2 4.09Å; D99-Y102 HydrophobicContact CB-CG 4.3Å; D99-Y102 PolarHBondContact O-N 2.97Å; D99-Y102 WeakPolarHBondContact OD1-CD2 3.35Å; D99-Y102 PolarHBondContact OD1-N 3.39Å; D99-M103 WeakPolarHBondContact O-CB 3.37Å; D99-M103 WeakPolarHBondContact O-CG 3.4Å; D99-M103 PolarHBondContact O-N 3.44Å; D99-R421 IonicContact OD2-CZ 2.77Å; D99-R421 IonicContact OD2-NH1 3.26Å; D99-R421 IonicContact OD2-NH2 2.89Å; D99-R421 PolarHBondContact OD2-NH2 2.9Å
100P96.9Very high92.8Very high1 Ų128.5 Ų28.51%0.00616%0.162CC..Hα-helixtrans-60.8-34.6-177-23.433.6000114.4M103 K104 L416 L422 Q441 T442 H443 A444P100-M103 WeakPolarHBondContact O-CB 3.32Å; P100-M103 PolarHBondContact O-N 3.04Å; P100-K104 WeakPolarHBondContact O-CB 3.36Å; P100-K104 PolarHBondContact O-N 3.31Å; P100-L416 HydrophobicContact CG-CD1 3.98Å; P100-L422 HydrophobicContact CG-CD1 3.61Å; P100-L422 HydrophobicContact CG-CD2 3.87Å; P100-L422 HydrophobicContact CG-CG 4.41Å; P100-Q441 HydrophobicContact CB-CG 4.38Å; P100-Q441 HydrophobicContact CG-CG 4.47Å; P100-T442 WeakPolarHBondContact CB-O 3.34Å; P100-H443 HydrophobicContact CB-CB 4.49Å; P100-A444 HydrophobicContact CG-CB 4.07Å
101D96.4Very high94Very high79 Ų7927.7 Ų27.742%0.42215%0.153SC..Hα-helixtrans-74.7-41.1-177.8-65.6-38.4000110.6D99 K104 V105 P398D99-D101 VanDerWaalsContact C-N 3.31Å; D99-D101 PolarHBondContact O-N 3.46Å; D99-D101 WeakPolarHBondContact OD1-CA 3.34Å; D99-D101 WeakPolarHBondContact OD1-CB 3.48Å; D99-D101 PolarHBondContact OD1-N 3.46Å; D101-K104 WeakPolarHBondContact O-CB 3.38Å; D101-K104 PolarHBondContact O-N 3.41Å; D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.93Å; D101-P398 HydrophobicContact CB-CG 4.18Å
102Y97.1Very high94.8Very high7 Ų727.6 Ų27.63%0.02715%0.154CC..Hα-helixtrans-62.4-43.8169.5-81.7-120.6000112.2F51 T83 I97 D99 K104 V105 I106 F397 D399 C401F51-Y102 HydrophobicContact CE1-CE1 4.01Å; T83-Y102 HydrophobicContact CG2-CD1 3.54Å; T83-Y102 HydrophobicContact CG2-CE1 3.5Å; T83-Y102 VanDerWaalsContact CG2-CE1 3.5Å; T83-Y102 HydrophobicContact CG2-CG 4.23Å; I97-Y102 HydrophobicContact CD1-CD1 4.27Å; I97-Y102 HydrophobicContact CG1-CD1 4.32Å; I97-Y102 HydrophobicContact CG2-CD1 4.34Å; I97-Y102 HydrophobicContact CG2-CG 4.29Å; D99-Y102 HydrophobicContact CB-CD2 4.09Å; D99-Y102 HydrophobicContact CB-CG 4.3Å; D99-Y102 PolarHBondContact O-N 2.97Å; D99-Y102 WeakPolarHBondContact OD1-CD2 3.35Å; D99-Y102 PolarHBondContact OD1-N 3.39Å; Y102-K104 VanDerWaalsContact C-N 3.31Å; Y102-K104 PolarHBondContact O-N 3.38Å; Y102-V105 PolarHBondContact O-N 3.24Å; Y102-I106 PolarHBondContact O-N 2.95Å; Y102-I106 VanDerWaalsContact O-N 3.08Å; Y102-F397 HydrophobicContact CD1-CB 4.14Å; Y102-F397 AromaticContact CD1-CD1 3.24Å; Y102-F397 HydrophobicContact CD1-CD1 3.24Å; Y102-F397 AromaticContact CD1-CD2 3.76Å; Y102-F397 HydrophobicContact CD1-CD2 3.76Å; Y102-F397 AromaticContact CD1-CE1 3.38Å; Y102-F397 HydrophobicContact CD1-CE1 3.38Å; Y102-F397 AromaticContact CD1-CE2 3.89Å; Y102-F397 HydrophobicContact CD1-CE2 3.89Å; Y102-F397 AromaticContact CD1-CG 3.44Å; Y102-F397 HydrophobicContact CD1-CG 3.44Å; Y102-F397 VanDerWaalsContact CD1-CG 3.44Å; Y102-F397 AromaticContact CD1-CZ 3.71Å; Y102-F397 HydrophobicContact CD1-CZ 3.71Å; Y102-F397 HydrophobicContact CD2-CB 4.18Å; Y102-F397 HydrophobicContact CD2-CD1 4.21Å; Y102-F397 HydrophobicContact CD2-CG 4.31Å; Y102-F397 HydrophobicContact CE1-CB 3.72Å; Y102-F397 AromaticContact CE1-CD1 3.61Å; Y102-F397 HydrophobicContact CE1-CD1 3.61Å; Y102-F397 AromaticContact CE1-CD2 3.26Å; Y102-F397 HydrophobicContact CE1-CD2 3.26Å; Y102-F397 AromaticContact CE1-CE1 3.97Å; Y102-F397 HydrophobicContact CE1-CE1 3.97Å; Y102-F397 AromaticContact CE1-CE2 3.66Å; Y102-F397 HydrophobicContact CE1-CE2 3.66Å; Y102-F397 AromaticContact CE1-CG 3.22Å; Y102-F397 HydrophobicContact CE1-CG 3.22Å; Y102-F397 AromaticContact CE1-CZ 3.99Å; Y102-F397 HydrophobicContact CE1-CZ 3.99Å; Y102-F397 HydrophobicContact CE2-CB 3.75Å; Y102-F397 HydrophobicContact CE2-CD1 4.49Å; Y102-F397 HydrophobicContact CE2-CG 4.13Å; Y102-F397 HydrophobicContact CG-CB 4.36Å; Y102-F397 AromaticContact CG-CD1 3.58Å; Y102-F397 HydrophobicContact CG-CD1 3.58Å; Y102-F397 AromaticContact CG-CE1 3.98Å; Y102-F397 HydrophobicContact CG-CE1 3.98Å; Y102-F397 AromaticContact CG-CG 3.99Å; Y102-F397 HydrophobicContact CG-CG 3.99Å; Y102-F397 AromaticContact CZ-CD2 3.86Å; Y102-F397 AromaticContact CZ-CG 3.61Å; Y102-D399 WeakPolarHBondContact CE2-OD2 3.4Å; Y102-D399 PolarHBondContact OH-OD1 3.14Å; Y102-D399 PolarHBondContact OH-OD2 3.2Å; Y102-C401 WeakPolarHBondContact OH-CB 3.29Å
103M97.5Very high95.4Very high0 Ų026 Ų260%015%0.146CC..Hα-helixtrans-57-46.1176.4-74.2-77.4-177.900110.8I97 D99 P100 V105 I106 L107 L411 F413 L416 H443 L446I97-M103 HydrophobicContact CG2-CE 4.26Å; I97-M103 HydrophobicContact CG2-CG 4.24Å; I97-M103 HydrophobicContact CG2-SD 4.41Å; I97-M103 WeakPolarHBondContact O-CE 3.45Å; D99-M103 WeakPolarHBondContact O-CB 3.37Å; D99-M103 WeakPolarHBondContact O-CG 3.4Å; D99-M103 PolarHBondContact O-N 3.44Å; P100-M103 WeakPolarHBondContact O-CB 3.32Å; P100-M103 PolarHBondContact O-N 3.04Å; M103-V105 VanDerWaalsContact C-N 3.32Å; M103-V105 PolarHBondContact O-N 3.17Å; M103-I106 PolarHBondContact O-N 3.49Å; M103-L107 HydrophobicContact CB-CD1 4.2Å; M103-L107 WeakPolarHBondContact O-CB 3.45Å; M103-L107 WeakPolarHBondContact O-CG 3.5Å; M103-L107 PolarHBondContact O-N 3.18Å; M103-L107 HydrophobicContact SD-CD1 4.49Å; M103-L411 HydrophobicContact CE-CB 4.06Å; M103-L411 HydrophobicContact SD-CB 3.82Å; M103-L411 HydrophobicContact SD-CD1 4.46Å; M103-L411 HydrophobicContact SD-CD2 3.74Å; M103-L411 HydrophobicContact SD-CG 4.2Å; M103-F413 HydrophobicContact CE-CD1 4.49Å; M103-F413 HydrophobicContact SD-CE1 4.48Å; M103-L416 HydrophobicContact CE-CB 4.2Å; M103-L416 HydrophobicContact CE-CD2 4.28Å; M103-L416 HydrophobicContact CG-CD1 4.44Å; M103-L416 HydrophobicContact CG-CD2 4.42Å; M103-H443 HydrophobicContact CB-CB 4.2Å; M103-L446 HydrophobicContact CB-CD1 4.35Å; M103-L446 HydrophobicContact CG-CD1 4.31Å; M103-L446 HydrophobicContact SD-CD1 4.02Å
104K96.9Very high95.6Very high121 Ų12126.1 Ų26.153%0.52615%0.147SC..Hα-helixtrans-56.3-45.4177.3-179.7179.2177.7-1730111.6P100 D101 Y102 G108P100-K104 WeakPolarHBondContact O-CB 3.36Å; P100-K104 PolarHBondContact O-N 3.31Å; D101-K104 WeakPolarHBondContact O-CB 3.38Å; D101-K104 PolarHBondContact O-N 3.41Å; Y102-K104 VanDerWaalsContact C-N 3.31Å; Y102-K104 PolarHBondContact O-N 3.38Å; K104-G108 PolarHBondContact O-N 2.89Å
105V97.1Very high95.4Very high42 Ų4227.7 Ų27.726%0.25516%0.162SC..Hα-helixtrans-62.7-49.4179.2174.30000111.2D101 Y102 M103 R109 V395 F397 P398D101-V105 WeakPolarHBondContact O-CG2 3.48Å; D101-V105 PolarHBondContact O-N 2.93Å; Y102-V105 PolarHBondContact O-N 3.24Å; M103-V105 VanDerWaalsContact C-N 3.32Å; M103-V105 PolarHBondContact O-N 3.17Å; V105-R109 WeakPolarHBondContact O-CD 3.18Å; V105-R109 WeakPolarHBondContact O-CG 3.28Å; V105-V395 HydrophobicContact CG1-CG2 3.38Å; V105-F397 HydrophobicContact CB-CD1 4.31Å; V105-F397 HydrophobicContact CG1-CD1 4.33Å; V105-F397 HydrophobicContact CG1-CE1 4.43Å; V105-P398 HydrophobicContact CG2-CG 4.46Å
106I97.5Very high95Very high4 Ų431.3 Ų31.32%0.02118%0.175CC..Hα-helixtrans-70.5-40.1-178.1-58.1-56.3000112I97 Y102 M103 G108 R109 R389 L391 V395 F397 V409 L411I97-I106 HydrophobicContact CD1-CG1 3.88Å; Y102-I106 PolarHBondContact O-N 2.95Å; Y102-I106 VanDerWaalsContact O-N 3.08Å; M103-I106 PolarHBondContact O-N 3.49Å; I106-G108 VanDerWaalsContact C-N 3.33Å; I106-R109 WeakPolarHBondContact O-CB 3.33Å; I106-R109 PolarHBondContact O-N 3.4Å; I106-R389 HydrophobicContact CG2-CG 4.25Å; I106-L391 HydrophobicContact CD1-CD2 3.9Å; I106-V395 HydrophobicContact CD1-CG1 4.45Å; I106-V395 HydrophobicContact CD1-CG2 4.31Å; I106-F397 HydrophobicContact CD1-CE1 3.83Å; I106-F397 HydrophobicContact CD1-CZ 4Å; I106-F397 HydrophobicContact CG1-CE1 4Å; I106-F397 HydrophobicContact CG1-CZ 4.43Å; I106-V409 HydrophobicContact CD1-CG2 4.46Å; I106-V409 HydrophobicContact CG2-CG2 4.05Å; I106-L411 HydrophobicContact CB-CD2 3.96Å; I106-L411 HydrophobicContact CG1-CD2 4.34Å; I106-L411 HydrophobicContact CG2-CD1 4.21Å; I106-L411 HydrophobicContact CG2-CD2 3.84Å; I106-L411 HydrophobicContact CG2-CG 4.41Å
107L96.8Very high94.7Very high8 Ų832.7 Ų32.74%0.04219%0.185CC..Hα-helixtrans-74.2-23.8-179-67.2169.1000112.9M103 R109 L411 L446 S449 A450 G451M103-L107 HydrophobicContact CB-CD1 4.2Å; M103-L107 WeakPolarHBondContact O-CB 3.45Å; M103-L107 WeakPolarHBondContact O-CG 3.5Å; M103-L107 PolarHBondContact O-N 3.18Å; M103-L107 HydrophobicContact SD-CD1 4.49Å; L107-R109 PolarHBondContact O-N 3.46Å; L107-L411 HydrophobicContact CD2-CD1 3.46Å; L107-L411 VanDerWaalsContact CD2-CD1 3.46Å; L107-L411 HydrophobicContact CG-CD1 3.95Å; L107-L446 HydrophobicContact CD1-CD1 3.61Å; L107-L446 HydrophobicContact CD1-CD2 4.21Å; L107-S449 WeakPolarHBondContact CD2-OG 3.46Å; L107-A450 HydrophobicContact CD1-CB 4.1Å; L107-G451 WeakPolarHBondContact O-CA 3.46Å
108G95.4Very high94.5Very high61 Ų6134.5 Ų34.563%0.62919%0.192SC*.THydrogen-bonded Turntrans-69.5-14.2170.500000113.6K104 I106K104-G108 PolarHBondContact O-N 2.89Å; I106-G108 VanDerWaalsContact C-N 3.33Å
109R94.6Very high94.4Very high56 Ų5636.3 Ų36.321%0.21121%0.205CC..SBendtrans-95.2160.9179.7-62.916657.79412.4111.1V105 I106 L107 D111 S393 P394V105-R109 WeakPolarHBondContact O-CD 3.18Å; V105-R109 WeakPolarHBondContact O-CG 3.28Å; I106-R109 WeakPolarHBondContact O-CB 3.33Å; I106-R109 PolarHBondContact O-N 3.4Å; L107-R109 PolarHBondContact O-N 3.46Å; R109-D111 VanDerWaalsContact CB-OD2 3.31Å; R109-D111 WeakPolarHBondContact CB-OD2 3.37Å; R109-D111 IonicContact CZ-OD1 3.73Å; R109-D111 IonicContact CZ-OD2 3.6Å; R109-D111 IonicContact NE-OD1 3.89Å; R109-D111 IonicContact NE-OD2 3.53Å; R109-D111 PolarHBondContact NE-OD2 3.12Å; R109-D111 IonicContact NH2-OD1 2.71Å; R109-D111 PolarHBondContact NH2-OD1 3.37Å; R109-D111 IonicContact NH2-OD2 2.8Å; R109-D111 PolarHBondContact NH2-OD2 2.91Å; R109-S393 PolarHBondContact NH1-OG 3.49Å; R109-S393 VanDerWaalsContact NH1-OG 3.15Å; R109-S393 PolarHBondContact NH2-O 3.26Å; R109-S393 PolarHBondContact NH2-OG 2.88Å; R109-P394 PolarHBondContact NH1-O 3.44Å
110S93.4Very high94.4Very high51 Ų5136.2 Ų36.236%0.35720%0.204SC..  trans-106.530.7176.1-63.60000112.5T452S110-T452 PolarHBondContact OG-OG1 3.31Å
111D95.4Very high94.4Very high2 Ų236.8 Ų36.81%0.01121%0.207CC..PPolyproline II helixtrans-54143.7178.9-68.1-52.1000111.6R109 R389 E390 S392R109-D111 VanDerWaalsContact CB-OD2 3.31Å; R109-D111 WeakPolarHBondContact CB-OD2 3.37Å; R109-D111 IonicContact CZ-OD1 3.73Å; R109-D111 IonicContact CZ-OD2 3.6Å; R109-D111 IonicContact NE-OD1 3.89Å; R109-D111 IonicContact NE-OD2 3.53Å; R109-D111 PolarHBondContact NE-OD2 3.12Å; R109-D111 IonicContact NH2-OD1 2.71Å; R109-D111 PolarHBondContact NH2-OD1 3.37Å; R109-D111 IonicContact NH2-OD2 2.8Å; R109-D111 PolarHBondContact NH2-OD2 2.91Å; D111-R389 HydrophobicContact CB-CB 4.27Å; D111-R389 WeakPolarHBondContact O-CD 3.48Å; D111-E390 WeakPolarHBondContact CB-O 3.47Å; D111-S392 PolarHBondContact OD1-N 3.19Å; D111-S392 PolarHBondContact OD1-OG 3.45Å
112P95.3Very high94.4Very high33 Ų3334.1 Ų34.121%0.21420%0.195CC..PPolyproline II helixtrans-65.8158.1177.628.3-36000112.4N133 R389 E390P112-N133 VanDerWaalsContact CA-OD1 3.29Å; P112-N133 WeakPolarHBondContact CA-OD1 3.39Å; P112-N133 HydrophobicContact CB-CB 4.04Å; P112-N133 WeakPolarHBondContact CB-OD1 3.4Å; P112-R389 WeakPolarHBondContact O-CA 3.37Å; P112-R389 WeakPolarHBondContact O-CD 3.21Å; P112-E390 VanDerWaalsContact CD-O 3.27Å; P112-E390 WeakPolarHBondContact CD-O 3.48Å; P112-E390 HydrophobicContact CG-CB 4.44Å; P112-E390 PolarHBondContact O-N 3.08Å
113K94.1Very high94.4Very high15 Ų1535.9 Ų35.97%0.06521%0.208CC..BIsolated β-bridgetrans-70.7151.4167-55.3-160.5-176.977.40109.8V115 Y118 L130 N133 R453K113-V115 PolarHBondContact O-N 3.25Å; K113-Y118 HydrophobicContact CB-CD1 4.31Å; K113-Y118 HydrophobicContact CB-CD2 3.87Å; K113-Y118 HydrophobicContact CB-CE1 4.36Å; K113-Y118 HydrophobicContact CB-CE2 3.9Å; K113-Y118 HydrophobicContact CB-CG 4.07Å; K113-Y118 HydrophobicContact CD-CD1 3.81Å; K113-Y118 HydrophobicContact CD-CE1 3.36Å; K113-Y118 HydrophobicContact CD-CE2 4.21Å; K113-Y118 HydrophobicContact CD-CG 4.41Å; K113-Y118 HydrophobicContact CG-CE1 4.46Å; K113-L130 HydrophobicContact CD-CD1 4.39Å; K113-L130 VanDerWaalsContact CD-O 3.26Å; K113-L130 WeakPolarHBondContact CD-O 3.45Å; K113-L130 VanDerWaalsContact CE-O 3.24Å; K113-L130 WeakPolarHBondContact CE-O 3.45Å; K113-L130 PolarHBondContact NZ-O 3.43Å; K113-N133 PolarHBondContact N-OD1 3.16Å; K113-N133 VanDerWaalsContact N-OD1 3.08Å; K113-R453 VanDerWaalsContact NZ-NH1 3.13Å
114V91.6Very high94.5Very high8 Ų835.9 Ų35.95%0.04821%0.208CC..  trans-62.6106.2-179.2178.70000110.5R116 S117 Y118 R389 E390 L408V114-R116 PolarHBondContact O-N 3.14Å; V114-R116 VanDerWaalsContact O-N 3.15Å; V114-S117 PolarHBondContact O-N 2.84Å; V114-Y118 VanDerWaalsContact O-CD2 3.26Å; V114-Y118 WeakPolarHBondContact O-CD2 3.41Å; V114-Y118 PolarHBondContact O-N 3.27Å; V114-R389 WeakPolarHBondContact CG2-O 3.18Å; V114-E390 HydrophobicContact CG2-CB 4.47Å; V114-L408 HydrophobicContact CG1-CD1 4.11Å; V114-L408 HydrophobicContact CG1-CD2 4Å; V114-L408 HydrophobicContact CG2-CD2 3.96Å
115V88Confident94.5Very high83 Ų8330.1 Ų30.150%0.50318%0.183SC..Hα-helixtrans-55.1-41.9-171.21780000111.6K113 S117 Y118 S119K113-V115 PolarHBondContact O-N 3.25Å; V115-S117 PolarHBondContact O-N 2.53Å; V115-Y118 PolarHBondContact O-N 3.09Å; V115-S119 WeakPolarHBondContact O-CB 3.28Å; V115-S119 PolarHBondContact O-N 3.06Å; V115-S119 PolarHBondContact O-OG 3.41Å
116R86.7Confident94.5Very high77 Ų7728.6 Ų28.629%0.29118%0.175SC..Hα-helixtrans-58.7-49.7-175.2-174.3176.871.5175.7-1.3114.5H92 V114 S119 F120H92-R116 PolarHBondContact CD2-NH1 3.37Å; H92-R116 PolarHBondContact CE1-NH1 3.44Å; H92-R116 VanDerWaalsContact CG-NH1 3.33Å; H92-R116 PolarHBondContact ND1-NH1 3.29Å; H92-R116 PolarHBondContact NE2-NH1 3.47Å; V114-R116 PolarHBondContact O-N 3.14Å; V114-R116 VanDerWaalsContact O-N 3.15Å; R116-S119 PolarHBondContact O-OG 3.15Å; R116-F120 WeakPolarHBondContact O-CZ 3.39Å
117S87.6Confident94.4Very high31 Ų3134.5 Ų34.522%0.21720%0.198CC..Hα-helixtrans-81.3-31.4-176.856.10000112V114 V115 F120V114-S117 PolarHBondContact O-N 2.84Å; V115-S117 PolarHBondContact O-N 2.53Å; S117-F120 WeakPolarHBondContact O-CD2 3.17Å
118Y93.2Very high94.3Very high38 Ų3834.1 Ų34.115%0.14920%0.196CC..Hα-helixtrans-75.7-29.4178.7-79.8-96.3000112.2K113 V114 V115 F120 F121 L130 L131K113-Y118 HydrophobicContact CB-CD1 4.31Å; K113-Y118 HydrophobicContact CB-CD2 3.87Å; K113-Y118 HydrophobicContact CB-CE1 4.36Å; K113-Y118 HydrophobicContact CB-CE2 3.9Å; K113-Y118 HydrophobicContact CB-CG 4.07Å; K113-Y118 HydrophobicContact CD-CD1 3.81Å; K113-Y118 HydrophobicContact CD-CE1 3.36Å; K113-Y118 HydrophobicContact CD-CE2 4.21Å; K113-Y118 HydrophobicContact CD-CG 4.41Å; K113-Y118 HydrophobicContact CG-CE1 4.46Å; V114-Y118 VanDerWaalsContact O-CD2 3.26Å; V114-Y118 WeakPolarHBondContact O-CD2 3.41Å; V114-Y118 PolarHBondContact O-N 3.27Å; V115-Y118 PolarHBondContact O-N 3.09Å; Y118-F120 PolarHBondContact O-N 2.8Å; Y118-F120 VanDerWaalsContact O-N 3.11Å; Y118-F121 WeakPolarHBondContact O-CB 3.46Å; Y118-F121 PolarHBondContact O-N 2.71Å; Y118-L130 HydrophobicContact CE1-CD1 4.02Å; Y118-L130 HydrophobicContact CE1-CG 4.4Å; Y118-L131 WeakPolarHBondContact O-CD2 3.13Å
119S94.9Very high94.3Very high38 Ų3831.7 Ų31.727%0.26617%0.169SC..G310 helixtrans-62.1-20.8179660000113.7V115 R116 F121 A122V115-S119 WeakPolarHBondContact O-CB 3.28Å; V115-S119 PolarHBondContact O-N 3.06Å; V115-S119 PolarHBondContact O-OG 3.41Å; R116-S119 PolarHBondContact O-OG 3.15Å; S119-F121 PolarHBondContact O-N 3.47Å; S119-A122 VanDerWaalsContact O-CB 3.26Å; S119-A122 WeakPolarHBondContact O-CB 3.2Å; S119-A122 PolarHBondContact O-N 2.93Å
120F95.6Very high94.4Very high5 Ų530.2 Ų30.22%0.02217%0.165CC..G310 helixtrans-65-21.4174.8-56-30000113.4R116 S117 Y118 I226 R229 V230 Q236 F250R116-F120 WeakPolarHBondContact O-CZ 3.39Å; S117-F120 WeakPolarHBondContact O-CD2 3.17Å; Y118-F120 PolarHBondContact O-N 2.8Å; Y118-F120 VanDerWaalsContact O-N 3.11Å; F120-I226 HydrophobicContact CB-CG2 4.27Å; F120-R229 VanDerWaalsContact CD1-CZ 3.49Å; F120-R229 HydrophobicContact CD2-CG 4.28Å; F120-R229 HydrophobicContact CE2-CG 4.44Å; F120-R229 HydrophobicContact CG-CG 4.37Å; F120-V230 HydrophobicContact CD2-CG2 3.71Å; F120-V230 HydrophobicContact CE2-CG2 3.94Å; F120-Q236 HydrophobicContact CE1-CB 4.46Å; F120-Q236 HydrophobicContact CE2-CG 4.29Å; F120-Q236 HydrophobicContact CZ-CB 3.88Å; F120-Q236 HydrophobicContact CZ-CG 3.78Å; F120-F250 WeakPolarHBondContact O-CZ 3.28Å
121F96.9Very high94.5Very high14 Ų1428.2 Ų28.26%0.06115%0.15CC..G310 helixtrans-82.2-19.2173.6-69.6-98.2000112.8Y118 S119 W124 I125 L131 I226 F318 I492Y118-F121 WeakPolarHBondContact O-CB 3.46Å; Y118-F121 PolarHBondContact O-N 2.71Å; S119-F121 PolarHBondContact O-N 3.47Å; F121-W124 HydrophobicContact CD1-CE3 4.03Å; F121-W124 HydrophobicContact CD1-CZ3 4.05Å; F121-W124 HydrophobicContact CE1-CZ3 4.18Å; F121-W124 WeakPolarHBondContact O-CA 3.27Å; F121-W124 PolarHBondContact O-N 2.9Å; F121-I125 HydrophobicContact CB-CD1 4.02Å; F121-I125 HydrophobicContact CB-CG1 3.97Å; F121-I125 HydrophobicContact CD1-CD1 4.18Å; F121-I125 HydrophobicContact CG-CD1 4.46Å; F121-I125 PolarHBondContact O-N 3.4Å; F121-L131 HydrophobicContact CB-CD1 3.97Å; F121-L131 HydrophobicContact CB-CD2 4.01Å; F121-I226 HydrophobicContact CD1-CD1 3.56Å; F121-I226 HydrophobicContact CD2-CD1 4.31Å; F121-I226 HydrophobicContact CD2-CG2 4.18Å; F121-I226 HydrophobicContact CE1-CD1 3.7Å; F121-I226 HydrophobicContact CE1-CG2 4.42Å; F121-I226 HydrophobicContact CE2-CD1 4.44Å; F121-I226 HydrophobicContact CE2-CG2 3.65Å; F121-I226 HydrophobicContact CG-CD1 3.88Å; F121-I226 HydrophobicContact CZ-CD1 4.15Å; F121-I226 HydrophobicContact CZ-CG2 3.8Å; F121-F318 HydrophobicContact CE1-CE1 4.29Å; F121-I492 HydrophobicContact CE1-CG1 4.45Å; F121-I492 HydrophobicContact CE1-CG2 4.08Å; F121-I492 HydrophobicContact CE2-CD1 4.42Å; F121-I492 HydrophobicContact CZ-CD1 3.74Å; F121-I492 HydrophobicContact CZ-CG1 3.95Å; F121-I492 HydrophobicContact CZ-CG2 3.84Å
122A97.1Very high94.5Very high23 Ų2328.6 Ų28.619%0.1915%0.152CC..Hα-helixtrans-58.9-38.4-171.100000114.1S119 W124 G126 Y127 L131S119-A122 VanDerWaalsContact O-CB 3.26Å; S119-A122 WeakPolarHBondContact O-CB 3.2Å; S119-A122 PolarHBondContact O-N 2.93Å; A122-W124 PolarHBondContact O-N 2.91Å; A122-G126 WeakPolarHBondContact O-CA 3.49Å; A122-G126 PolarHBondContact O-N 3.46Å; A122-Y127 HydrophobicContact CB-CE2 4.27Å; A122-L131 HydrophobicContact CB-CD2 3.86Å
123P97.3Very high94.5Very high44 Ų4429.2 Ų29.229%0.28615%0.154SC..Hα-helixtrans-67.1-17174.9-2133.7000114.3F250 Y251 H258P123-F250 HydrophobicContact CB-CE1 3.98Å; P123-F250 HydrophobicContact CB-CZ 4.46Å; P123-F250 HydrophobicContact CG-CE1 4.19Å; P123-Y251 HydrophobicContact CB-CE1 3.91Å; P123-Y251 HydrophobicContact CG-CE1 4.29Å; P123-H258 PolarHBondContact O-CE1 3.27Å; P123-H258 PolarHBondContact O-NE2 3.23Å
124W98Very high94.4Very high0 Ų030.4 Ų30.40%017%0.171CC..Hα-helixtrans-97.1-69177.8170.326.7000110.6F121 A122 V219 L222 T223 I226 H258 F318F121-W124 HydrophobicContact CD1-CE3 4.03Å; F121-W124 HydrophobicContact CD1-CZ3 4.05Å; F121-W124 HydrophobicContact CE1-CZ3 4.18Å; F121-W124 WeakPolarHBondContact O-CA 3.27Å; F121-W124 PolarHBondContact O-N 2.9Å; A122-W124 PolarHBondContact O-N 2.91Å; W124-V219 HydrophobicContact CH2-CG1 3.98Å; W124-V219 HydrophobicContact CZ2-CB 4.38Å; W124-V219 HydrophobicContact CZ2-CG1 4.05Å; W124-V219 HydrophobicContact CZ2-CG2 3.94Å; W124-L222 HydrophobicContact CB-CD2 4.46Å; W124-L222 HydrophobicContact CD2-CB 4.19Å; W124-L222 HydrophobicContact CD2-CD1 3.68Å; W124-L222 HydrophobicContact CD2-CG 4.35Å; W124-L222 HydrophobicContact CE3-CB 3.98Å; W124-L222 HydrophobicContact CE3-CD1 4.35Å; W124-L222 HydrophobicContact CG-CD1 3.8Å; W124-L222 HydrophobicContact CG-CD2 4.4Å; W124-L222 HydrophobicContact CH2-CB 4.34Å; W124-L222 HydrophobicContact CZ2-CD1 4.15Å; W124-L222 HydrophobicContact CZ3-CB 4.06Å; W124-T223 HydrophobicContact CH2-CG2 3.98Å; W124-T223 HydrophobicContact CZ3-CG2 4.12Å; W124-I226 HydrophobicContact CE3-CD1 3.92Å; W124-I226 HydrophobicContact CZ3-CD1 4.22Å; W124-H258 PolarHBondContact O-NE2 3.42Å; W124-F318 HydrophobicContact CH2-CB 3.98Å; W124-F318 AromaticContact CH2-CD1 3.7Å; W124-F318 HydrophobicContact CH2-CD1 3.7Å; W124-F318 AromaticContact CH2-CD2 3.34Å; W124-F318 HydrophobicContact CH2-CD2 3.34Å; W124-F318 AromaticContact CH2-CE1 3.99Å; W124-F318 HydrophobicContact CH2-CE1 3.99Å; W124-F318 AromaticContact CH2-CE2 3.65Å; W124-F318 HydrophobicContact CH2-CE2 3.65Å; W124-F318 AromaticContact CH2-CG 3.36Å; W124-F318 HydrophobicContact CH2-CG 3.36Å; W124-F318 AromaticContact CH2-CZ 3.96Å; W124-F318 HydrophobicContact CH2-CZ 3.96Å; W124-F318 HydrophobicContact CZ2-CB 3.72Å; W124-F318 HydrophobicContact CZ2-CD1 4.28Å; W124-F318 AromaticContact CZ2-CD2 3.82Å; W124-F318 HydrophobicContact CZ2-CD2 3.82Å; W124-F318 AromaticContact CZ2-CG 3.66Å; W124-F318 HydrophobicContact CZ2-CG 3.66Å; W124-F318 HydrophobicContact CZ3-CD1 4.13Å; W124-F318 HydrophobicContact CZ3-CD2 4.38Å; W124-F318 HydrophobicContact CZ3-CE1 4.16Å; W124-F318 HydrophobicContact CZ3-CE2 4.41Å; W124-F318 HydrophobicContact CZ3-CG 4.24Å; W124-F318 HydrophobicContact CZ3-CZ 4.29Å
125I97.6Very high94.5Very high0 Ų036.7 Ų36.70%020%0.197CC..Hα-helixtrans-955.4-172.563.4177.3000114F121 L130 L131 A311 D314 T315 F318F121-I125 HydrophobicContact CB-CD1 4.02Å; F121-I125 HydrophobicContact CB-CG1 3.97Å; F121-I125 HydrophobicContact CD1-CD1 4.18Å; F121-I125 HydrophobicContact CG-CD1 4.46Å; F121-I125 PolarHBondContact O-N 3.4Å; I125-L130 HydrophobicContact CD1-CB 4.34Å; I125-L130 HydrophobicContact CD1-CD2 3.76Å; I125-L131 HydrophobicContact CD1-CD1 3.51Å; I125-L131 HydrophobicContact CG1-CD1 3.93Å; I125-A311 CarbonylContact O-C 3.48Å; I125-A311 WeakPolarHBondContact O-CA 3.47Å; I125-A311 WeakPolarHBondContact O-CB 3.47Å; I125-D314 HydrophobicContact CB-CB 4.12Å; I125-D314 HydrophobicContact CG2-CB 4.11Å; I125-T315 PolarHBondContact O-OG1 2.93Å; I125-F318 HydrophobicContact CG2-CB 4.45Å
126G96.6Very high94.7Very high10 Ų1036.4 Ų36.410%0.10319%0.189CC..THydrogen-bonded Turntrans58.6-160.3-177.700000113.1A122 G128 L131A122-G126 WeakPolarHBondContact O-CA 3.49Å; A122-G126 PolarHBondContact O-N 3.46Å; G126-G128 VanDerWaalsContact C-N 3.33Å; G126-G128 PolarHBondContact O-N 3.21Å; G126-L131 VanDerWaalsContact O-CD2 3.26Å; G126-L131 WeakPolarHBondContact O-CD2 3.34Å
127Y95.8Very high95.1Very high128 Ų12833 Ų3350%0.50218%0.177SC..THydrogen-bonded Turntrans-94.461.8173.1-71.2-85.5000110.6A122 L131 L132A122-Y127 HydrophobicContact CB-CE2 4.27Å; Y127-L131 HydrophobicContact CD1-CB 4.01Å; Y127-L132 WeakPolarHBondContact O-CD1 3.33Å; Y127-L132 WeakPolarHBondContact O-CD2 3.28Å; Y127-L132 WeakPolarHBondContact O-CG 3.48Å
128G95.4Very high95.5Very high0 Ų036.1 Ų36.10%019%0.186CC..SBendtrans-81.1-172.9167.200000112.7G126 L130 L131 L132 E312 T315G126-G128 VanDerWaalsContact C-N 3.33Å; G126-G128 PolarHBondContact O-N 3.21Å; G128-L130 PolarHBondContact O-N 2.94Å; G128-L131 PolarHBondContact O-N 3.47Å; G128-L132 WeakPolarHBondContact O-CG 3.49Å; G128-L132 PolarHBondContact O-N 3.39Å; G128-E312 WeakPolarHBondContact CA-OE1 3.48Å; G128-T315 WeakPolarHBondContact CA-OG1 3.38Å
129L95.8Very high95.5Very high9 Ų936.7 Ų36.75%0.04719%0.19CC..THydrogen-bonded Turntrans-52.5-31.4-171.7-168.766.4000114.4W137 H140 R141 L144 E312 F316 I456L129-W137 VanDerWaalsContact O-CD1 3.28Å; L129-W137 PolarHBondContact O-NE1 3.3Å; L129-H140 HydrophobicContact CD1-CB 4.26Å; L129-R141 HydrophobicContact CD1-CB 3.87Å; L129-L144 HydrophobicContact CB-CD1 4.5Å; L129-L144 HydrophobicContact CD2-CD1 4.3Å; L129-E312 WeakPolarHBondContact CB-OE2 3.4Å; L129-E312 VanDerWaalsContact N-CD 3.3Å; L129-E312 PolarHBondContact N-OE1 3.29Å; L129-E312 VanDerWaalsContact N-OE1 3.07Å; L129-E312 PolarHBondContact N-OE2 2.87Å; L129-F316 HydrophobicContact CB-CE2 3.97Å; L129-F316 HydrophobicContact CD2-CE2 3.91Å; L129-F316 HydrophobicContact CD2-CZ 3.68Å; L129-I456 HydrophobicContact CD2-CD1 4.23Å; L129-I456 HydrophobicContact CD2-CG2 4.34Å
130L95.9Very high95.5Very high26 Ų2635.2 Ų35.214%0.13618%0.179CC..THydrogen-bonded Turntrans-67.5-39.9175.2-176.454.6000112.6K113 Y118 I125 G128 T315 E319K113-L130 HydrophobicContact CD-CD1 4.39Å; K113-L130 VanDerWaalsContact CD-O 3.26Å; K113-L130 WeakPolarHBondContact CD-O 3.45Å; K113-L130 VanDerWaalsContact CE-O 3.24Å; K113-L130 WeakPolarHBondContact CE-O 3.45Å; K113-L130 PolarHBondContact NZ-O 3.43Å; Y118-L130 HydrophobicContact CE1-CD1 4.02Å; Y118-L130 HydrophobicContact CE1-CG 4.4Å; I125-L130 HydrophobicContact CD1-CB 4.34Å; I125-L130 HydrophobicContact CD1-CD2 3.76Å; G128-L130 PolarHBondContact O-N 2.94Å; L130-T315 HydrophobicContact CB-CG2 3.79Å; L130-E319 VanDerWaalsContact CB-OE1 3.27Å; L130-E319 WeakPolarHBondContact CB-OE1 3.42Å; L130-E319 WeakPolarHBondContact CD1-OE1 3.5Å; L130-E319 VanDerWaalsContact CD2-OE1 3.28Å; L130-E319 WeakPolarHBondContact CD2-OE1 3.37Å; L130-E319 WeakPolarHBondContact CG-OE1 3.41Å
131L96.1Very high95.4Very high8 Ų836.7 Ų36.74%0.04219%0.185CC..THydrogen-bonded Turntrans-96.8-24.1-173.4-87.768.8000113Y118 F121 A122 I125 G126 Y127 G128 N133Y118-L131 WeakPolarHBondContact O-CD2 3.13Å; F121-L131 HydrophobicContact CB-CD1 3.97Å; F121-L131 HydrophobicContact CB-CD2 4.01Å; A122-L131 HydrophobicContact CB-CD2 3.86Å; I125-L131 HydrophobicContact CD1-CD1 3.51Å; I125-L131 HydrophobicContact CG1-CD1 3.93Å; G126-L131 VanDerWaalsContact O-CD2 3.26Å; G126-L131 WeakPolarHBondContact O-CD2 3.34Å; Y127-L131 HydrophobicContact CD1-CB 4.01Å; G128-L131 PolarHBondContact O-N 3.47Å; L131-N133 PolarHBondContact O-ND2 3.11Å
132L95.5Very high95.3Very high10 Ų1043.9 Ų43.95%0.05221%0.211CC..  trans-60.3148.9-180-72.5170.5000112.8Y127 G128 K136 W137 H140 R453Y127-L132 WeakPolarHBondContact O-CD1 3.33Å; Y127-L132 WeakPolarHBondContact O-CD2 3.28Å; Y127-L132 WeakPolarHBondContact O-CG 3.48Å; G128-L132 WeakPolarHBondContact O-CG 3.49Å; G128-L132 PolarHBondContact O-N 3.39Å; L132-K136 HydrophobicContact CD1-CG 4.27Å; L132-K136 HydrophobicContact CD2-CB 4.25Å; L132-K136 HydrophobicContact CD2-CD 3.62Å; L132-K136 HydrophobicContact CD2-CG 3.78Å; L132-W137 HydrophobicContact CB-CB 3.75Å; L132-W137 HydrophobicContact CB-CG 4.31Å; L132-H140 HydrophobicContact CD1-CB 3.96Å; L132-H140 VanDerWaalsContact CD1-ND1 3.33Å; L132-H140 WeakPolarHBondContact CD1-ND1 3.48Å; L132-R453 PolarHBondContact O-NH1 3.15Å
133N94.6Very high95.1Very high46 Ų4644.6 Ų44.625%0.24621%0.211CC..  trans-136.2168.2173-67-59000111.2P112 K113 L131 W137 R453P112-N133 VanDerWaalsContact CA-OD1 3.29Å; P112-N133 WeakPolarHBondContact CA-OD1 3.39Å; P112-N133 HydrophobicContact CB-CB 4.04Å; P112-N133 WeakPolarHBondContact CB-OD1 3.4Å; K113-N133 PolarHBondContact N-OD1 3.16Å; K113-N133 VanDerWaalsContact N-OD1 3.08Å; L131-N133 PolarHBondContact O-ND2 3.11Å; N133-W137 PolarHBondContact O-N 2.7Å; N133-R453 PolarHBondContact OD1-NH2 3.44Å
134G93.1Very high95Very high41 Ų4142.6 Ų42.642%0.42320%0.198SC..Hα-helixtrans61.9-149.3174.200000114.1K136 W137 F138G134-K136 VanDerWaalsContact C-N 3.35Å; G134-K136 PolarHBondContact O-N 3.09Å; G134-W137 WeakPolarHBondContact O-CB 3.42Å; G134-W137 PolarHBondContact O-N 3.41Å; G134-W137 VanDerWaalsContact O-N 3.17Å; G134-F138 VanDerWaalsContact O-CD2 3.26Å; G134-F138 WeakPolarHBondContact O-CD2 3.14Å; G134-F138 PolarHBondContact O-N 3.32Å
135K93.4Very high94.8Very high140 Ų14045.7 Ų45.761%0.60922%0.217SC*.Hα-helixtrans-55.5-45.2-175.3-167-173.5-179.6-158.10112.4W137 F138 Q139 E299K135-W137 VanDerWaalsContact C-N 3.32Å; K135-W137 PolarHBondContact O-N 2.81Å; K135-F138 PolarHBondContact O-N 2.91Å; K135-F138 VanDerWaalsContact O-N 3.13Å; K135-Q139 VanDerWaalsContact CE-NE2 3.28Å; K135-Q139 HydrophobicContact CG-CG 4.49Å; K135-Q139 WeakPolarHBondContact O-CG 3.43Å; K135-Q139 PolarHBondContact O-N 2.96Å; K135-E299 WeakPolarHBondContact CE-OE2 3.25Å; K135-E299 IonicContact NZ-OE2 3.62Å; K135-E299 PolarHBondContact NZ-OE2 2.79Å
136K92.3Very high94.5Very high77 Ų7748.7 Ų48.734%0.33524%0.236SC..Hα-helixtrans-60.2-41.4179.8-168.8171.2179177.30111.7L132 G134 F138 Q139 H140 D308L132-K136 HydrophobicContact CD1-CG 4.27Å; L132-K136 HydrophobicContact CD2-CB 4.25Å; L132-K136 HydrophobicContact CD2-CD 3.62Å; L132-K136 HydrophobicContact CD2-CG 3.78Å; G134-K136 VanDerWaalsContact C-N 3.35Å; G134-K136 PolarHBondContact O-N 3.09Å; K136-F138 PolarHBondContact O-N 3.41Å; K136-Q139 PolarHBondContact O-N 2.82Å; K136-H140 WeakPolarHBondContact CE-NE2 3.25Å; K136-H140 PolarHBondContact O-CD2 3.41Å; K136-H140 PolarHBondContact O-N 3.37Å; K136-D308 IonicContact NZ-OD1 3.27Å; K136-D308 PolarHBondContact NZ-OD1 3.21Å; K136-D308 IonicContact NZ-OD2 3.21Å; K136-D308 PolarHBondContact NZ-OD2 3.44Å
137W95Very high94.4Very high6 Ų648.3 Ų48.32%0.02323%0.232CC..Hα-helixtrans-61.5-44.5174.3177.479.1000112.7L129 L132 N133 G134 K135 Q139 H140 R141 T452 R453L129-W137 VanDerWaalsContact O-CD1 3.28Å; L129-W137 PolarHBondContact O-NE1 3.3Å; L132-W137 HydrophobicContact CB-CB 3.75Å; L132-W137 HydrophobicContact CB-CG 4.31Å; N133-W137 PolarHBondContact O-N 2.7Å; G134-W137 WeakPolarHBondContact O-CB 3.42Å; G134-W137 PolarHBondContact O-N 3.41Å; G134-W137 VanDerWaalsContact O-N 3.17Å; K135-W137 VanDerWaalsContact C-N 3.32Å; K135-W137 PolarHBondContact O-N 2.81Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 3.42Å; W137-H140 PolarHBondContact O-N 2.85Å; W137-R141 HydrophobicContact CH2-CB 4.38Å; W137-R141 HydrophobicContact CH2-CG 4.17Å; W137-R141 HydrophobicContact CZ2-CB 4.06Å; W137-R141 HydrophobicContact CZ2-CG 3.93Å; W137-R141 VanDerWaalsContact O-CB 3.24Å; W137-R141 WeakPolarHBondContact O-CB 3.26Å; W137-R141 PolarHBondContact O-N 3.07Å; W137-T452 WeakPolarHBondContact CH2-O 3.37Å; W137-R453 VanDerWaalsContact CE2-CD 3.44Å; W137-R453 HydrophobicContact CH2-CG 4.09Å; W137-R453 HydrophobicContact CZ2-CG 4.02Å
138F94.8Very high94.2Very high95 Ų9543.9 Ų43.942%0.41722%0.216SC..Hα-helixtrans-62.3-42177.5-79.2-77.4000111.9G134 K135 K136 R141 R142G134-F138 VanDerWaalsContact O-CD2 3.26Å; G134-F138 WeakPolarHBondContact O-CD2 3.14Å; G134-F138 PolarHBondContact O-N 3.32Å; K135-F138 PolarHBondContact O-N 2.91Å; K135-F138 VanDerWaalsContact O-N 3.13Å; K136-F138 PolarHBondContact O-N 3.41Å; F138-R141 PolarHBondContact O-N 3.06Å; F138-R142 WeakPolarHBondContact O-CB 3.24Å; F138-R142 PolarHBondContact O-N 3.5Å
139Q93.5Very high93.8Very high50 Ų5047.7 Ų47.723%0.23423%0.233CC..Hα-helixtrans-60.4-51.5177.1-71.9169.1-2500111.3K135 K136 W137 R142 M143 E299K135-Q139 VanDerWaalsContact CE-NE2 3.28Å; K135-Q139 HydrophobicContact CG-CG 4.49Å; K135-Q139 WeakPolarHBondContact O-CG 3.43Å; K135-Q139 PolarHBondContact O-N 2.96Å; K136-Q139 PolarHBondContact O-N 2.82Å; W137-Q139 VanDerWaalsContact C-N 3.34Å; W137-Q139 PolarHBondContact O-N 3.42Å; Q139-R142 PolarHBondContact O-N 2.83Å; Q139-M143 WeakPolarHBondContact O-CB 3.42Å; Q139-M143 PolarHBondContact O-N 3.43Å; Q139-E299 PolarHBondContact NE2-OE1 3.38Å; Q139-E299 VanDerWaalsContact NE2-OE1 3.11Å; Q139-E299 PolarHBondContact NE2-OE2 3.15Å
140H94.4Very high93.4Very high7 Ų752.1 Ų52.13%0.03225%0.25CS..Hα-helixtrans-63.8-43.2178.6-75.3-132.5000111.3L129 L132 K136 W137 R142 M143 L144 E312L129-H140 HydrophobicContact CD1-CB 4.26Å; L132-H140 HydrophobicContact CD1-CB 3.96Å; L132-H140 VanDerWaalsContact CD1-ND1 3.33Å; L132-H140 WeakPolarHBondContact CD1-ND1 3.48Å; K136-H140 WeakPolarHBondContact CE-NE2 3.25Å; K136-H140 PolarHBondContact O-CD2 3.41Å; K136-H140 PolarHBondContact O-N 3.37Å; W137-H140 PolarHBondContact O-N 2.85Å; H140-R142 VanDerWaalsContact C-N 3.34Å; H140-R142 PolarHBondContact O-N 3.42Å; H140-M143 PolarHBondContact O-N 3.07Å; H140-L144 WeakPolarHBondContact O-CB 3.36Å; H140-L144 VanDerWaalsContact O-CG 3.26Å; H140-L144 WeakPolarHBondContact O-CG 3.27Å; H140-L144 PolarHBondContact O-N 2.91Å; H140-E312 IonicContact CE1-OE1 3.78Å; H140-E312 IonicContact CG-OE1 2.75Å; H140-E312 IonicContact ND1-OE1 3.69Å; H140-E312 PolarHBondContact ND1-OE1 3.44Å
141R95.4Very high93Very high37 Ų3753.9 Ų53.914%0.1426%0.26CS..Hα-helixtrans-59.1-45.1176.7-176.857-179.3-117-6.8111.7L129 W137 F138 T145 N454L129-R141 HydrophobicContact CD1-CB 3.87Å; W137-R141 HydrophobicContact CH2-CB 4.38Å; W137-R141 HydrophobicContact CH2-CG 4.17Å; W137-R141 HydrophobicContact CZ2-CB 4.06Å; W137-R141 HydrophobicContact CZ2-CG 3.93Å; W137-R141 VanDerWaalsContact O-CB 3.24Å; W137-R141 WeakPolarHBondContact O-CB 3.26Å; W137-R141 PolarHBondContact O-N 3.07Å; F138-R141 PolarHBondContact O-N 3.06Å; R141-T145 WeakPolarHBondContact O-CB 3.08Å; R141-T145 PolarHBondContact O-N 2.74Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.37Å; R141-N454 PolarHBondContact NH1-O 3.1Å; R141-N454 PolarHBondContact NH2-O 3.22Å; R141-N454 VanDerWaalsContact NH2-O 3.15Å; R141-N454 PolarHBondContact NH2-OD1 3.14Å
142R94.1Very high92.7Very high164 Ų16454.1 Ų54.162%0.61926%0.261SS*.Hα-helixtrans-62.8-45.9177.7-177.7176.567.2-171.7-4.2111F138 Q139 H140 L144 P146 E299F138-R142 WeakPolarHBondContact O-CB 3.24Å; F138-R142 PolarHBondContact O-N 3.5Å; Q139-R142 PolarHBondContact O-N 2.83Å; H140-R142 VanDerWaalsContact C-N 3.34Å; H140-R142 PolarHBondContact O-N 3.42Å; R142-L144 VanDerWaalsContact C-N 3.35Å; R142-L144 PolarHBondContact O-N 3.38Å; R142-P146 WeakPolarHBondContact O-CD 3.3Å; R142-E299 IonicContact NH2-OE1 2.74Å; R142-E299 PolarHBondContact NH2-OE1 3.26Å
143M93.6Very high92.5Very high39 Ų3953.8 Ų53.819%0.19226%0.259CS..Hα-helixtrans-60.5-40.8179.5179.6-167.8-68.300112.8Q139 H140 P146 I292 A296 L304Q139-M143 WeakPolarHBondContact O-CB 3.42Å; Q139-M143 PolarHBondContact O-N 3.43Å; H140-M143 PolarHBondContact O-N 3.07Å; M143-P146 VanDerWaalsContact O-CD 3.28Å; M143-P146 WeakPolarHBondContact O-CD 3.47Å; M143-I292 HydrophobicContact CG-CG2 4.02Å; M143-A296 HydrophobicContact CE-CB 3.82Å; M143-A296 HydrophobicContact CG-CB 4.12Å; M143-A296 HydrophobicContact SD-CB 3.39Å; M143-A296 WeakPolarHBondContact SD-CB 3.24Å; M143-L304 HydrophobicContact CE-CD1 4.39Å; M143-L304 HydrophobicContact CE-CD2 4.14Å; M143-L304 HydrophobicContact CE-CG 4.43Å; M143-L304 HydrophobicContact SD-CD1 3.85Å; M143-L304 HydrophobicContact SD-CG 4.49Å
144L94.3Very high92.4Very high1 Ų156.3 Ų56.31%0.00527%0.268CS..Hα-helixtrans-87.5-20-173.6-65.6172.8000114.1L129 H140 R142 P146 A147 F289 I292 L293 F316 I456L129-L144 HydrophobicContact CB-CD1 4.5Å; L129-L144 HydrophobicContact CD2-CD1 4.3Å; H140-L144 WeakPolarHBondContact O-CB 3.36Å; H140-L144 VanDerWaalsContact O-CG 3.26Å; H140-L144 WeakPolarHBondContact O-CG 3.27Å; H140-L144 PolarHBondContact O-N 2.91Å; R142-L144 VanDerWaalsContact C-N 3.35Å; R142-L144 PolarHBondContact O-N 3.38Å; L144-P146 VanDerWaalsContact C-N 3.34Å; L144-A147 WeakPolarHBondContact O-CB 3.31Å; L144-A147 PolarHBondContact O-N 3.44Å; L144-A147 VanDerWaalsContact O-N 3.15Å; L144-F289 HydrophobicContact CD1-CE2 3.86Å; L144-F289 HydrophobicContact CD2-CD2 3.71Å; L144-F289 HydrophobicContact CD2-CE2 3.38Å; L144-F289 HydrophobicContact CD2-CZ 4.16Å; L144-F289 HydrophobicContact CG-CE2 4.09Å; L144-I292 HydrophobicContact CD2-CG2 4.33Å; L144-L293 HydrophobicContact CD2-CD2 3.79Å; L144-L293 HydrophobicContact CD2-CG 4.24Å; L144-F316 HydrophobicContact CD1-CE2 3.78Å; L144-F316 HydrophobicContact CD1-CZ 4Å; L144-I456 HydrophobicContact CB-CD1 4.12Å
145T94.1Very high92.3Very high66 Ų6658.4 Ų58.441%0.40527%0.274SS..G310 helixtrans-54.8-38.9-179.1-660000114.2R141 A147 F148R141-T145 WeakPolarHBondContact O-CB 3.08Å; R141-T145 PolarHBondContact O-N 2.74Å; R141-T145 VanDerWaalsContact O-N 3.12Å; R141-T145 PolarHBondContact O-OG1 3.37Å; T145-A147 PolarHBondContact O-N 3.07Å; T145-F148 PolarHBondContact O-N 3.28Å; T145-F148 VanDerWaalsContact O-N 3.09Å
146P92Very high92.4Very high62 Ų6252.8 Ų52.840%0.40325%0.249SC..G310 helixtrans-54.6-34.1176.5-27.936.3000114.6R142 M143 L144 F148 H149 I152 I292R142-P146 WeakPolarHBondContact O-CD 3.3Å; M143-P146 VanDerWaalsContact O-CD 3.28Å; M143-P146 WeakPolarHBondContact O-CD 3.47Å; L144-P146 VanDerWaalsContact C-N 3.34Å; P146-F148 PolarHBondContact O-N 2.73Å; P146-F148 VanDerWaalsContact O-N 3.1Å; P146-H149 VanDerWaalsContact O-CB 3.3Å; P146-H149 WeakPolarHBondContact O-CB 3.46Å; P146-H149 PolarHBondContact O-N 3.27Å; P146-H149 VanDerWaalsContact O-N 3.1Å; P146-I152 WeakPolarHBondContact O-CD1 3.5Å; P146-I292 HydrophobicContact CB-CD1 4.06Å
147A92.7Very high92.5Very high2 Ų249.2 Ų49.22%0.01723%0.234CC..G310 helixtrans-61.3-18.1178.800000113.9L144 T145 F289 I292L144-A147 WeakPolarHBondContact O-CB 3.31Å; L144-A147 PolarHBondContact O-N 3.44Å; L144-A147 VanDerWaalsContact O-N 3.15Å; T145-A147 PolarHBondContact O-N 3.07Å; A147-F289 HydrophobicContact CB-CB 4.08Å; A147-I292 HydrophobicContact CB-CD1 3.77Å
148F91.9Very high92.5Very high35 Ų3550.6 Ų50.615%0.15425%0.25CS..G310 helixtrans-111.814.1-178.1-59.9-82000112.5T145 P146 F289 F316 I456 F460T145-F148 PolarHBondContact O-N 3.28Å; T145-F148 VanDerWaalsContact O-N 3.09Å; P146-F148 PolarHBondContact O-N 2.73Å; P146-F148 VanDerWaalsContact O-N 3.1Å; F148-F289 HydrophobicContact CE2-CD2 4.36Å; F148-F316 HydrophobicContact CE2-CD1 4.35Å; F148-F316 AromaticContact CE2-CE1 3.53Å; F148-F316 HydrophobicContact CE2-CE1 3.53Å; F148-F316 HydrophobicContact CE2-CZ 4.26Å; F148-F316 AromaticContact CZ-CD1 3.82Å; F148-F316 HydrophobicContact CZ-CD1 3.82Å; F148-F316 AromaticContact CZ-CE1 3.38Å; F148-F316 HydrophobicContact CZ-CE1 3.38Å; F148-F316 HydrophobicContact CZ-CZ 4.49Å; F148-I456 HydrophobicContact CD2-CD1 3.8Å; F148-I456 HydrophobicContact CD2-CG1 3.75Å; F148-I456 HydrophobicContact CD2-CG2 4.27Å; F148-I456 HydrophobicContact CE2-CD1 4.07Å; F148-I456 HydrophobicContact CE2-CG1 4.3Å; F148-I456 HydrophobicContact CE2-CG2 4.08Å; F148-I456 HydrophobicContact CG-CG1 4.29Å; F148-I456 HydrophobicContact CZ-CG2 4.41Å; F148-F460 HydrophobicContact CD1-CB 4.32Å
149H88.4Confident92.5Very high80 Ų8048.1 Ų48.137%0.3724%0.241SC..  trans-70.4143.6177.2-171.8-75.2000111.4P146 D151 I152 L153 R286P146-H149 VanDerWaalsContact O-CB 3.3Å; P146-H149 WeakPolarHBondContact O-CB 3.46Å; P146-H149 PolarHBondContact O-N 3.27Å; P146-H149 VanDerWaalsContact O-N 3.1Å; H149-D151 VanDerWaalsContact C-N 3.34Å; H149-D151 IonicContact CE1-OD2 2.73Å; H149-D151 PolarHBondContact ND1-N 3.27Å; H149-D151 IonicContact ND1-OD2 3.29Å; H149-D151 PolarHBondContact O-N 2.86Å; H149-D151 VanDerWaalsContact O-N 3.14Å; H149-I152 WeakPolarHBondContact O-CB 3.47Å; H149-I152 PolarHBondContact O-N 3.49Å; H149-L153 PolarHBondContact O-N 3.36Å; H149-R286 VanDerWaalsContact CB-NH1 3.32Å; H149-R286 PolarHBondContact CD2-NH1 3Å; H149-R286 VanDerWaalsContact CE1-CZ 3.48Å; H149-R286 PolarHBondContact CE1-NH2 2.94Å; H149-R286 VanDerWaalsContact CG-CZ 3.47Å; H149-R286 PolarHBondContact ND1-NH1 3.4Å; H149-R286 PolarHBondContact ND1-NH2 2.88Å; H149-R286 VanDerWaalsContact ND1-NH2 3.16Å; H149-R286 PolarHBondContact NE2-NH2 3.21Å
150Y87.4Confident92.7Very high102 Ų10245.7 Ų45.740%0.423%0.23SC..Hα-helixtrans-42.8-49.9-177.8-178.2-101.6000115I152 L153 K154 L361Y150-I152 VanDerWaalsContact C-N 3.28Å; Y150-I152 PolarHBondContact O-N 2.89Å; Y150-L153 WeakPolarHBondContact O-CB 3.49Å; Y150-L153 PolarHBondContact O-N 2.98Å; Y150-K154 HydrophobicContact CE1-CD 4.47Å; Y150-K154 PolarHBondContact O-N 3.25Å; Y150-L361 HydrophobicContact CD2-CD2 3.91Å; Y150-L361 HydrophobicContact CE1-CD2 4.27Å; Y150-L361 HydrophobicContact CE2-CD2 3.28Å; Y150-L361 HydrophobicContact CE2-CG 4.06Å; Y150-L361 VanDerWaalsContact CZ-CD2 3.47Å
151D87.5Confident92.8Very high64 Ų6445.9 Ų45.934%0.34223%0.231SC..Hα-helixtrans-58.6-31.9177.7-62.6-32.5000115H149 K154 R286H149-D151 VanDerWaalsContact C-N 3.34Å; H149-D151 IonicContact CE1-OD2 2.73Å; H149-D151 PolarHBondContact ND1-N 3.27Å; H149-D151 IonicContact ND1-OD2 3.29Å; H149-D151 PolarHBondContact O-N 2.86Å; H149-D151 VanDerWaalsContact O-N 3.14Å; D151-K154 IonicContact OD1-NZ 2.84Å; D151-R286 IonicContact OD2-CZ 3.99Å; D151-R286 IonicContact OD2-NE 3.58Å; D151-R286 PolarHBondContact OD2-NE 3.25Å; D151-R286 IonicContact OD2-NH2 2.74Å; D151-R286 PolarHBondContact OD2-NH2 3.22Å
152I89.3Confident92.8Very high12 Ų1248.8 Ų48.86%0.06225%0.249CC..Hα-helixtrans-73.2-34.1175.6-54.9-170.2000110.2P146 H149 Y150 K154 P155 Y156 R286 L287P146-I152 WeakPolarHBondContact O-CD1 3.5Å; H149-I152 WeakPolarHBondContact O-CB 3.47Å; H149-I152 PolarHBondContact O-N 3.49Å; Y150-I152 VanDerWaalsContact C-N 3.28Å; Y150-I152 PolarHBondContact O-N 2.89Å; I152-K154 VanDerWaalsContact C-N 3.29Å; I152-K154 PolarHBondContact O-N 3.22Å; I152-P155 VanDerWaalsContact O-CD 3.24Å; I152-P155 WeakPolarHBondContact O-CD 3.16Å; I152-P155 WeakPolarHBondContact O-CG 3.41Å; I152-Y156 HydrophobicContact CG2-CD2 4.34Å; I152-Y156 HydrophobicContact CG2-CE1 4.11Å; I152-Y156 HydrophobicContact CG2-CE2 3.52Å; I152-Y156 VanDerWaalsContact CG2-OH 3.31Å; I152-Y156 WeakPolarHBondContact CG2-OH 3.24Å; I152-R286 HydrophobicContact CD1-CB 3.55Å; I152-R286 HydrophobicContact CD1-CG 4.34Å; I152-R286 HydrophobicContact CG1-CB 3.54Å; I152-R286 HydrophobicContact CG1-CG 4.11Å; I152-L287 WeakPolarHBondContact CD1-O 3.2Å
153L91.5Very high92.9Very high3 Ų341 Ų412%0.01622%0.22CC..Hα-helixtrans-71.4-21.8-177.7-56.8-178.2000113.2H149 Y150 Y156 V157 Q459 F460H149-L153 PolarHBondContact O-N 3.36Å; Y150-L153 WeakPolarHBondContact O-CB 3.49Å; Y150-L153 PolarHBondContact O-N 2.98Å; L153-Y156 HydrophobicContact CD2-CD2 3.82Å; L153-Y156 HydrophobicContact CD2-CE2 4.26Å; L153-Y156 WeakPolarHBondContact O-CB 3.47Å; L153-Y156 PolarHBondContact O-N 3.3Å; L153-V157 PolarHBondContact O-N 3.23Å; L153-Q459 HydrophobicContact CD1-CB 3.59Å; L153-F460 HydrophobicContact CD2-CB 3.96Å; L153-F460 HydrophobicContact CD2-CD2 3.92Å; L153-F460 HydrophobicContact CD2-CG 4.46Å
154K91.6Very high93.1Very high99 Ų9939.1 Ų39.143%0.4321%0.211SC..Hα-helixtrans-56.2-58.4179.2-75.4178.8-179.2174.60113.1Y150 D151 I152 Y156 V157 L361Y150-K154 HydrophobicContact CE1-CD 4.47Å; Y150-K154 PolarHBondContact O-N 3.25Å; D151-K154 IonicContact OD1-NZ 2.84Å; I152-K154 VanDerWaalsContact C-N 3.29Å; I152-K154 PolarHBondContact O-N 3.22Å; K154-Y156 PolarHBondContact O-N 2.99Å; K154-V157 PolarHBondContact O-N 2.92Å; K154-L361 HydrophobicContact CB-CD2 4.48Å; K154-L361 HydrophobicContact CG-CD2 3.55Å
155P91.2Very high93.2Very high86 Ų8641.1 Ų41.156%0.55822%0.22SC*.Hα-helixtrans-66.2-26.4177.426.5-36.3000113I152 V157 G158I152-P155 VanDerWaalsContact O-CD 3.24Å; I152-P155 WeakPolarHBondContact O-CD 3.16Å; I152-P155 WeakPolarHBondContact O-CG 3.41Å; P155-V157 PolarHBondContact O-N 2.84Å; P155-G158 PolarHBondContact O-N 3.47Å; P155-G158 VanDerWaalsContact O-N 3.14Å
156Y94.6Very high93.3Very high21 Ų2140.5 Ų40.58%0.08222%0.216CC..Hα-helixtrans-63.1-25.7178.4-67.3-11.1000113.4I152 L153 K154 G158 I159 M160 C198 D288 F460I152-Y156 HydrophobicContact CG2-CD2 4.34Å; I152-Y156 HydrophobicContact CG2-CE1 4.11Å; I152-Y156 HydrophobicContact CG2-CE2 3.52Å; I152-Y156 VanDerWaalsContact CG2-OH 3.31Å; I152-Y156 WeakPolarHBondContact CG2-OH 3.24Å; L153-Y156 HydrophobicContact CD2-CD2 3.82Å; L153-Y156 HydrophobicContact CD2-CE2 4.26Å; L153-Y156 WeakPolarHBondContact O-CB 3.47Å; L153-Y156 PolarHBondContact O-N 3.3Å; K154-Y156 PolarHBondContact O-N 2.99Å; Y156-G158 VanDerWaalsContact C-N 3.27Å; Y156-G158 PolarHBondContact O-N 3.47Å; Y156-I159 HydrophobicContact CD1-CD1 4.17Å; Y156-I159 PolarHBondContact O-N 3.41Å; Y156-I159 VanDerWaalsContact O-N 3.16Å; Y156-M160 VanDerWaalsContact O-CG 3.3Å; Y156-M160 WeakPolarHBondContact O-CG 3.33Å; Y156-M160 PolarHBondContact O-N 3.3Å; Y156-C198 HydrophobicContact CD1-CB 3.72Å; Y156-C198 HydrophobicContact CD2-CB 3.78Å; Y156-C198 HydrophobicContact CE1-CB 3.75Å; Y156-C198 WeakPolarHBondContact CE1-O 3.4Å; Y156-C198 HydrophobicContact CE2-CB 3.82Å; Y156-C198 HydrophobicContact CG-CB 3.73Å; Y156-C198 VanDerWaalsContact CG-SG 3.55Å; Y156-C198 PolarHBondContact OH-O 3.01Å; Y156-D288 VanDerWaalsContact OH-CB 3.32Å; Y156-D288 WeakPolarHBondContact OH-CB 3.27Å; Y156-F460 AromaticContact CD2-CD2 3.93Å; Y156-F460 HydrophobicContact CD2-CD2 3.93Å; Y156-F460 AromaticContact CD2-CE2 3.9Å; Y156-F460 HydrophobicContact CD2-CE2 3.9Å; Y156-F460 HydrophobicContact CE2-CE2 4.47Å
157V95.4Very high93.5Very high2 Ų237.6 Ų37.61%0.01220%0.197CC..Hα-helixtrans-60.1-39.2174.9-178.10000111.1L153 K154 P155 I159 M160 V161 V359 L361 L364 V467L153-V157 PolarHBondContact O-N 3.23Å; K154-V157 PolarHBondContact O-N 2.92Å; P155-V157 PolarHBondContact O-N 2.84Å; V157-I159 VanDerWaalsContact C-N 3.34Å; V157-I159 PolarHBondContact O-N 3.46Å; V157-M160 WeakPolarHBondContact O-CB 3.28Å; V157-M160 PolarHBondContact O-N 3.13Å; V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.34Å; V157-V161 PolarHBondContact O-N 2.93Å; V157-V359 HydrophobicContact CG1-CB 4.36Å; V157-V359 HydrophobicContact CG1-CG1 4.23Å; V157-V359 VanDerWaalsContact CG1-O 3.25Å; V157-V359 WeakPolarHBondContact CG1-O 3.43Å; V157-L361 HydrophobicContact CG2-CB 4.15Å; V157-L361 HydrophobicContact CG2-CD1 4.09Å; V157-L364 HydrophobicContact CG1-CD1 4.28Å; V157-L364 HydrophobicContact CG2-CD1 4.17Å; V157-V467 HydrophobicContact CG1-CG2 3.99Å
158G94.4Very high93.7Very high35 Ų3537.6 Ų37.636%0.36120%0.197SC..Hα-helixtrans-62-42.3175.600000112.1P155 Y156 M160 V161 D162P155-G158 PolarHBondContact O-N 3.47Å; P155-G158 VanDerWaalsContact O-N 3.14Å; Y156-G158 VanDerWaalsContact C-N 3.27Å; Y156-G158 PolarHBondContact O-N 3.47Å; G158-M160 PolarHBondContact O-N 3.06Å; G158-V161 WeakPolarHBondContact O-CB 3.32Å; G158-V161 PolarHBondContact O-N 3.18Å; G158-D162 VanDerWaalsContact O-CG 3.31Å; G158-D162 PolarHBondContact O-N 3.19Å
159I95.1Very high93.8Very high43 Ų4339.4 Ų39.422%0.22121%0.208CC..Hα-helixtrans-64.7-39.7176.7-61.2175.1000111.6Y156 V157 V161 D162 S163 K197Y156-I159 HydrophobicContact CD1-CD1 4.17Å; Y156-I159 PolarHBondContact O-N 3.41Å; Y156-I159 VanDerWaalsContact O-N 3.16Å; V157-I159 VanDerWaalsContact C-N 3.34Å; V157-I159 PolarHBondContact O-N 3.46Å; I159-V161 VanDerWaalsContact C-N 3.35Å; I159-D162 PolarHBondContact O-N 2.94Å; I159-S163 WeakPolarHBondContact O-CB 3.31Å; I159-S163 PolarHBondContact O-N 3.27Å; I159-S163 PolarHBondContact O-OG 3.18Å; I159-K197 HydrophobicContact CG2-CB 3.45Å; I159-K197 VanDerWaalsContact CG2-CB 3.45Å; I159-K197 HydrophobicContact CG2-CD 3.83Å; I159-K197 HydrophobicContact CG2-CG 4.28Å
160M97.1Very high94.1Very high0 Ų039.9 Ų39.90%021%0.209CC..Hα-helixtrans-60.8-45.4174.1-69.4165.1-177.700110.7Y156 V157 G158 S163 V164 T194 F460 N463 E464 V467Y156-M160 VanDerWaalsContact O-CG 3.3Å; Y156-M160 WeakPolarHBondContact O-CG 3.33Å; Y156-M160 PolarHBondContact O-N 3.3Å; V157-M160 WeakPolarHBondContact O-CB 3.28Å; V157-M160 PolarHBondContact O-N 3.13Å; G158-M160 PolarHBondContact O-N 3.06Å; M160-S163 PolarHBondContact O-N 3.46Å; M160-V164 WeakPolarHBondContact O-CB 3.36Å; M160-V164 VanDerWaalsContact O-CG2 3.28Å; M160-V164 WeakPolarHBondContact O-CG2 3.41Å; M160-V164 PolarHBondContact O-N 3.3Å; M160-T194 HydrophobicContact CB-CG2 4.27Å; M160-T194 HydrophobicContact CE-CG2 4.26Å; M160-T194 HydrophobicContact CG-CG2 3.38Å; M160-F460 HydrophobicContact CE-CD1 4.3Å; M160-F460 HydrophobicContact CE-CD2 3.62Å; M160-F460 HydrophobicContact CE-CE1 4.16Å; M160-F460 HydrophobicContact CE-CE2 3.45Å; M160-F460 VanDerWaalsContact CE-CE2 3.45Å; M160-F460 HydrophobicContact CE-CG 4.05Å; M160-F460 HydrophobicContact CE-CZ 3.75Å; M160-N463 HydrophobicContact CE-CB 4.29Å; M160-N463 HydrophobicContact SD-CB 3.96Å; M160-E464 HydrophobicContact CE-CB 4.05Å; M160-E464 HydrophobicContact CG-CB 4.43Å; M160-E464 HydrophobicContact CG-CG 4.42Å; M160-E464 HydrophobicContact SD-CB 4.06Å; M160-V467 HydrophobicContact CB-CB 4.28Å; M160-V467 HydrophobicContact CB-CG1 4.02Å; M160-V467 HydrophobicContact CB-CG2 4.23Å
161V96.5Very high94.5Very high11 Ų1135 Ų357%0.06719%0.19CC..Hα-helixtrans-59.1-49.9177.8167.50000110.6V157 G158 I159 S163 V164 H165 V359 V467 L471V157-V161 HydrophobicContact CG1-CG2 4.45Å; V157-V161 VanDerWaalsContact O-CG2 3.25Å; V157-V161 WeakPolarHBondContact O-CG2 3.34Å; V157-V161 PolarHBondContact O-N 2.93Å; G158-V161 WeakPolarHBondContact O-CB 3.32Å; G158-V161 PolarHBondContact O-N 3.18Å; I159-V161 VanDerWaalsContact C-N 3.35Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 3.18Å; V161-V164 PolarHBondContact O-N 2.81Å; V161-H165 VanDerWaalsContact CG1-CD2 3.49Å; V161-H165 WeakPolarHBondContact CG1-CD2 3.21Å; V161-H165 PolarHBondContact O-CD2 2.91Å; V161-H165 PolarHBondContact O-N 3.28Å; V161-V359 HydrophobicContact CG2-CB 3.62Å; V161-V359 HydrophobicContact CG2-CG2 3.97Å; V161-V467 HydrophobicContact CB-CG1 4.5Å; V161-V467 HydrophobicContact CG2-CG1 3.79Å; V161-L471 HydrophobicContact CB-CD1 4.24Å; V161-L471 HydrophobicContact CG1-CD1 4.04Å; V161-L471 HydrophobicContact CG2-CD1 4.16Å
162D95.4Very high94.7Very high97 Ų9734.6 Ų34.652%0.51919%0.186SC..Hα-helixtrans-59.5-45.1179.2-65.2-21.8000111.7G158 I159 V164 H165 V166G158-D162 VanDerWaalsContact O-CG 3.31Å; G158-D162 PolarHBondContact O-N 3.19Å; I159-D162 PolarHBondContact O-N 2.94Å; D162-V164 VanDerWaalsContact C-N 3.35Å; D162-V164 PolarHBondContact O-N 3.07Å; D162-H165 PolarHBondContact O-N 2.93Å; D162-V166 WeakPolarHBondContact O-CG2 3.4Å; D162-V166 PolarHBondContact O-N 3.47Å; D162-V166 VanDerWaalsContact O-N 3.15Å
163S97Very high94.8Very high0 Ų041.1 Ų41.10%022%0.216CC..Hα-helixtrans-66.2-38.7-178.9-520000111.3I159 M160 V161 M167 M190 E193 T194 Q207I159-S163 WeakPolarHBondContact O-CB 3.31Å; I159-S163 PolarHBondContact O-N 3.27Å; I159-S163 PolarHBondContact O-OG 3.18Å; M160-S163 PolarHBondContact O-N 3.46Å; V161-S163 VanDerWaalsContact C-N 3.34Å; V161-S163 PolarHBondContact O-N 3.18Å; S163-M167 PolarHBondContact O-N 3.45Å; S163-M190 WeakPolarHBondContact O-CG 2.97Å; S163-E193 PolarHBondContact OG-OE1 3.49Å; S163-T194 WeakPolarHBondContact CB-OG1 3.44Å; S163-Q207 PolarHBondContact O-NE2 3.16Å
164V97.4Very high94.7Very high1 Ų143.4 Ų43.41%0.00623%0.228CC..Hα-helixtrans-67.4-39.8174.6171.10000111.2M160 V161 D162 V166 M167 L168 M190 V467 A468 L471M160-V164 WeakPolarHBondContact O-CB 3.36Å; M160-V164 VanDerWaalsContact O-CG2 3.28Å; M160-V164 WeakPolarHBondContact O-CG2 3.41Å; M160-V164 PolarHBondContact O-N 3.3Å; V161-V164 PolarHBondContact O-N 2.81Å; D162-V164 VanDerWaalsContact C-N 3.35Å; D162-V164 PolarHBondContact O-N 3.07Å; V164-V166 PolarHBondContact O-N 3.4Å; V164-M167 WeakPolarHBondContact O-CB 3.5Å; V164-M167 PolarHBondContact O-N 2.67Å; V164-L168 HydrophobicContact CG1-CD1 3.67Å; V164-L168 HydrophobicContact CG1-CG 3.98Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 3.27Å; V164-M190 HydrophobicContact CG2-CE 4.09Å; V164-M190 HydrophobicContact CG2-CG 4.18Å; V164-M190 HydrophobicContact CG2-SD 3.73Å; V164-V467 HydrophobicContact CG2-CG1 4.2Å; V164-A468 HydrophobicContact CG2-CB 4.2Å; V164-L471 HydrophobicContact CB-CD1 3.99Å; V164-L471 HydrophobicContact CG1-CB 3.77Å; V164-L471 HydrophobicContact CG1-CD1 3.76Å; V164-L471 HydrophobicContact CG1-CG 4.39Å
165H96.1Very high94.4Very high42 Ų4240 Ų4019%0.19422%0.216CC..Hα-helixtrans-59.4-45176.4-82.4-57.8000112.6V161 D162 M167 L168 D169V161-H165 VanDerWaalsContact CG1-CD2 3.49Å; V161-H165 WeakPolarHBondContact CG1-CD2 3.21Å; V161-H165 PolarHBondContact O-CD2 2.91Å; V161-H165 PolarHBondContact O-N 3.28Å; D162-H165 PolarHBondContact O-N 2.93Å; H165-M167 VanDerWaalsContact C-N 3.28Å; H165-M167 PolarHBondContact O-N 3.18Å; H165-L168 PolarHBondContact O-N 3.02Å; H165-L168 VanDerWaalsContact O-N 3.13Å; H165-D169 WeakPolarHBondContact O-CB 3.1Å; H165-D169 PolarHBondContact O-N 3.4Å
166V96.2Very high93.6Very high54 Ų5443.2 Ų43.233%0.32723%0.228SC..Hα-helixtrans-56.1-43.5176.1173.40000111.6D162 V164 K170 Q207D162-V166 WeakPolarHBondContact O-CG2 3.4Å; D162-V166 PolarHBondContact O-N 3.47Å; D162-V166 VanDerWaalsContact O-N 3.15Å; V164-V166 PolarHBondContact O-N 3.4Å; V166-K170 PolarHBondContact O-N 3.4Å; V166-Q207 HydrophobicContact CG1-CB 4.08Å; V166-Q207 HydrophobicContact CG1-CG 4.38Å
167M97.2Very high92.9Very high0 Ų048.2 Ų48.20%025%0.252CS..Hα-helixtrans-64.8-45.8176.9-174.5-17273.400111.6S163 V164 H165 K170 W171 D186 I187 M190S163-M167 PolarHBondContact O-N 3.45Å; V164-M167 WeakPolarHBondContact O-CB 3.5Å; V164-M167 PolarHBondContact O-N 2.67Å; H165-M167 VanDerWaalsContact C-N 3.28Å; H165-M167 PolarHBondContact O-N 3.18Å; M167-K170 WeakPolarHBondContact O-CB 3.39Å; M167-K170 PolarHBondContact O-N 3.26Å; M167-W171 HydrophobicContact CE-CH2 4.04Å; M167-W171 HydrophobicContact CE-CZ2 4.02Å; M167-W171 HydrophobicContact CE-CZ3 4.4Å; M167-W171 HydrophobicContact CG-CZ2 4.27Å; M167-W171 VanDerWaalsContact O-CD1 3.26Å; M167-W171 PolarHBondContact O-N 2.91Å; M167-W171 HydrophobicContact SD-CZ2 3.96Å; M167-D186 HydrophobicContact CG-CB 4.1Å; M167-D186 HydrophobicContact SD-CB 4.41Å; M167-I187 HydrophobicContact CE-CG1 4.43Å; M167-I187 HydrophobicContact SD-CB 4.4Å; M167-I187 HydrophobicContact SD-CG1 3.78Å; M167-M190 HydrophobicContact CB-CB 4.17Å; M167-M190 HydrophobicContact CB-CG 4.21Å; M167-M190 HydrophobicContact CG-CB 4.4Å; M167-M190 HydrophobicContact SD-CB 3.85Å; M167-M190 HydrophobicContact SD-CE 4.46Å; M167-M190 HydrophobicContact SD-CG 4.18Å
168L96Very high92Very high2 Ų254.7 Ų54.71%0.0129%0.287CS..Hα-helixtrans-69.6-32.2-178.5-65.4178.8000112.7V164 H165 K170 W171 E172 L471 T472 R475 F476V164-L168 HydrophobicContact CG1-CD1 3.67Å; V164-L168 HydrophobicContact CG1-CG 3.98Å; V164-L168 VanDerWaalsContact O-CG 3.28Å; V164-L168 WeakPolarHBondContact O-CG 3.29Å; V164-L168 PolarHBondContact O-N 3.27Å; H165-L168 PolarHBondContact O-N 3.02Å; H165-L168 VanDerWaalsContact O-N 3.13Å; L168-K170 VanDerWaalsContact C-N 3.33Å; L168-W171 HydrophobicContact CD2-CE3 3.96Å; L168-W171 HydrophobicContact CD2-CZ3 4.35Å; L168-W171 PolarHBondContact O-N 3.14Å; L168-E172 PolarHBondContact O-N 3.49Å; L168-L471 HydrophobicContact CD1-CB 3.88Å; L168-T472 HydrophobicContact CD2-CG2 4.14Å; L168-R475 VanDerWaalsContact CB-NH1 3.28Å; L168-R475 PolarHBondContact O-NH1 2.9Å; L168-F476 HydrophobicContact CB-CE2 4.14Å; L168-F476 HydrophobicContact CD2-CD2 3.9Å; L168-F476 HydrophobicContact CD2-CE2 3.69Å; L168-F476 HydrophobicContact CG-CE2 4.46Å
169D95.1Very high91.6Very high74 Ų7456.8 Ų56.840%0.39630%0.295SS..Hα-helixtrans-64.4-41.4174-69.3-18.1000110.6H165 E172 Q173 R475H165-D169 WeakPolarHBondContact O-CB 3.1Å; H165-D169 PolarHBondContact O-N 3.4Å; D169-E172 PolarHBondContact O-N 3.36Å; D169-Q173 WeakPolarHBondContact O-CG 3.37Å; D169-Q173 PolarHBondContact O-N 2.93Å; D169-R475 IonicContact OD1-CZ 3.75Å; D169-R475 IonicContact OD1-NH1 2.7Å; D169-R475 PolarHBondContact OD1-NH1 3.37Å; D169-R475 IonicContact OD1-NH2 2.82Å; D169-R475 PolarHBondContact OD1-NH2 2.95Å
170K94.1Very high91.5Very high89 Ų8956 Ų5639%0.38729%0.293SS..Hα-helixtrans-61.3-44.9171.9-178.1-172174.5-169.40111.4V166 M167 L168 E172 Q173 L174 D186V166-K170 PolarHBondContact O-N 3.4Å; M167-K170 WeakPolarHBondContact O-CB 3.39Å; M167-K170 PolarHBondContact O-N 3.26Å; L168-K170 VanDerWaalsContact C-N 3.33Å; K170-E172 VanDerWaalsContact C-N 3.32Å; K170-E172 PolarHBondContact O-N 3.07Å; K170-Q173 PolarHBondContact O-N 3Å; K170-L174 WeakPolarHBondContact O-CG 3.44Å; K170-D186 VanDerWaalsContact NZ-CG 3.33Å; K170-D186 IonicContact NZ-OD1 3.38Å; K170-D186 PolarHBondContact NZ-OD1 3.47Å; K170-D186 IonicContact NZ-OD2 3.26Å; K170-D186 PolarHBondContact NZ-OD2 3.24Å
171W95.2Very high91.3Very high0 Ų057.2 Ų57.20%030%0.299CS..Hα-helixtrans-63.4-39.3179.4-69.36.7000111.8M167 L168 Q173 L174 V175 L181 I183 D186 I187 F332 T472 F476 T504M167-W171 HydrophobicContact CE-CH2 4.04Å; M167-W171 HydrophobicContact CE-CZ2 4.02Å; M167-W171 HydrophobicContact CE-CZ3 4.4Å; M167-W171 HydrophobicContact CG-CZ2 4.27Å; M167-W171 VanDerWaalsContact O-CD1 3.26Å; M167-W171 PolarHBondContact O-N 2.91Å; M167-W171 HydrophobicContact SD-CZ2 3.96Å; L168-W171 HydrophobicContact CD2-CE3 3.96Å; L168-W171 HydrophobicContact CD2-CZ3 4.35Å; L168-W171 PolarHBondContact O-N 3.14Å; W171-Q173 VanDerWaalsContact C-N 3.27Å; W171-Q173 PolarHBondContact O-N 3.37Å; W171-L174 WeakPolarHBondContact O-CA 3.47Å; W171-L174 WeakPolarHBondContact O-CB 3.29Å; W171-L174 PolarHBondContact O-N 3.35Å; W171-V175 WeakPolarHBondContact O-CG2 3.46Å; W171-V175 PolarHBondContact O-N 3.44Å; W171-V175 VanDerWaalsContact O-N 3.12Å; W171-L181 HydrophobicContact CB-CD2 4.48Å; W171-L181 HydrophobicContact CD2-CD2 3.56Å; W171-L181 VanDerWaalsContact CE2-CD2 3.46Å; W171-L181 HydrophobicContact CE3-CD2 4.2Å; W171-L181 HydrophobicContact CG-CD2 3.68Å; W171-L181 HydrophobicContact CZ2-CD2 4.01Å; W171-I183 HydrophobicContact CH2-CB 4.13Å; W171-I183 HydrophobicContact CH2-CG2 3.96Å; W171-I183 HydrophobicContact CZ2-CB 4.07Å; W171-I183 HydrophobicContact CZ2-CG2 4.09Å; W171-D186 HydrophobicContact CZ2-CB 4.3Å; W171-D186 PolarHBondContact NE1-OD2 3.43Å; W171-I187 HydrophobicContact CH2-CD1 4.44Å; W171-I187 HydrophobicContact CH2-CG1 4.43Å; W171-I187 HydrophobicContact CZ2-CG1 4.25Å; W171-F332 AromaticContact CH2-CD2 4Å; W171-F332 HydrophobicContact CH2-CD2 4Å; W171-F332 AromaticContact CH2-CE2 3.81Å; W171-F332 HydrophobicContact CH2-CE2 3.81Å; W171-F332 HydrophobicContact CZ3-CD2 4.42Å; W171-F332 HydrophobicContact CZ3-CE2 4.16Å; W171-T472 HydrophobicContact CZ3-CG2 4.13Å; W171-F476 HydrophobicContact CB-CE2 3.97Å; W171-F476 HydrophobicContact CB-CZ 3.98Å; W171-F476 HydrophobicContact CE3-CD2 4.32Å; W171-F476 HydrophobicContact CE3-CE2 4.3Å; W171-T504 HydrophobicContact CE3-CG2 4.35Å
172E92.7Very high91.3Very high55 Ų5558.9 Ų58.926%0.25731%0.306SS..Hα-helixtrans-59.4-37.3178-173.1166.7-117.700112.7L168 D169 K170 L174 V175 R475 F476 K506L168-E172 PolarHBondContact O-N 3.49Å; D169-E172 PolarHBondContact O-N 3.36Å; K170-E172 VanDerWaalsContact C-N 3.32Å; K170-E172 PolarHBondContact O-N 3.07Å; E172-L174 PolarHBondContact O-N 2.74Å; E172-V175 PolarHBondContact O-N 3.35Å; E172-R475 VanDerWaalsContact CD-NH2 3.28Å; E172-R475 IonicContact OE1-NE 2.86Å; E172-R475 IonicContact OE1-NH2 2.94Å; E172-R475 IonicContact OE2-CZ 3.92Å; E172-R475 IonicContact OE2-NE 2.78Å; E172-R475 IonicContact OE2-NH2 2.83Å; E172-R475 PolarHBondContact OE2-NH2 3.28Å; E172-F476 HydrophobicContact CB-CE1 4.48Å; E172-F476 HydrophobicContact CB-CZ 4.03Å; E172-K506 HydrophobicContact CG-CD 4.29Å; E172-K506 WeakPolarHBondContact OE1-CD 3.37Å; E172-K506 WeakPolarHBondContact OE1-CE 3.44Å; E172-K506 IonicContact OE1-NZ 3.28Å; E172-K506 PolarHBondContact OE1-NZ 3.44Å
173Q91.3Very high91.4Very high149 Ų14954.2 Ų54.270%0.69628%0.281SS*.Hα-helixtrans-68.2-18.1175.3-65175.1-2.600113.6D169 K170 W171D169-Q173 WeakPolarHBondContact O-CG 3.37Å; D169-Q173 PolarHBondContact O-N 2.93Å; K170-Q173 PolarHBondContact O-N 3Å; W171-Q173 VanDerWaalsContact C-N 3.27Å; W171-Q173 PolarHBondContact O-N 3.37Å
174L88.8Confident91.3Very high52 Ų5255.1 Ų55.127%0.27229%0.285SS..Hα-helixtrans-98.6-16.5-179.3-61.3175.3000112.9K170 W171 E172 D176 Q177 L181K170-L174 WeakPolarHBondContact O-CG 3.44Å; W171-L174 WeakPolarHBondContact O-CA 3.47Å; W171-L174 WeakPolarHBondContact O-CB 3.29Å; W171-L174 PolarHBondContact O-N 3.35Å; E172-L174 PolarHBondContact O-N 2.74Å; L174-D176 PolarHBondContact O-N 3.06Å; L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 2.79Å; L174-Q177 VanDerWaalsContact O-N 3.12Å; L174-L181 HydrophobicContact CD1-CD1 3.95Å
175V85Confident91.2Very high27 Ų2760.2 Ų60.216%0.16431%0.309CS..Hα-helixtrans-56.3-39.2-178.3171.10000112.1W171 E172 Q177 D178 F476 K506W171-V175 WeakPolarHBondContact O-CG2 3.46Å; W171-V175 PolarHBondContact O-N 3.44Å; W171-V175 VanDerWaalsContact O-N 3.12Å; E172-V175 PolarHBondContact O-N 3.35Å; V175-Q177 PolarHBondContact O-N 3.31Å; V175-D178 PolarHBondContact O-N 3.28Å; V175-F476 HydrophobicContact CG2-CD1 4.19Å; V175-F476 HydrophobicContact CG2-CE1 3.62Å; V175-F476 HydrophobicContact CG2-CZ 4.45Å; V175-K506 HydrophobicContact CG1-CB 4.28Å
176D75.9Confident91.1Very high153 Ų15358.6 Ų58.682%0.81830%0.301SS*.THydrogen-bonded Turntrans-66.9-8.9-176.5-64.9-27.5000113.6L174L174-D176 PolarHBondContact O-N 3.06Å
177Q78.1Confident91.2Very high126 Ų12656 Ų5659%0.58929%0.286SS*.THydrogen-bonded Turntrans-86.8-8.1-179.1-57.717816.400113.3L174 V175 C179L174-Q177 WeakPolarHBondContact O-CB 3.32Å; L174-Q177 PolarHBondContact O-N 2.79Å; L174-Q177 VanDerWaalsContact O-N 3.12Å; V175-Q177 PolarHBondContact O-N 3.31Å; Q177-C179 HydrophobicContact CB-CB 4.21Å; Q177-C179 PolarHBondContact O-N 2.95Å
178D77.9Confident91.2Very high139 Ų13956 Ų5674%0.74329%0.286SS*.THydrogen-bonded Turntrans4721.7-171.9-160.127.5000114V175V175-D178 PolarHBondContact O-N 3.28Å
179C86.2Confident91.3Very high78 Ų7856.3 Ų56.353%0.52729%0.287SS..PPolyproline II helixtrans-95.1130.6-176-170.30000109.3Q177 L181Q177-C179 HydrophobicContact CB-CB 4.21Å; Q177-C179 PolarHBondContact O-N 2.95Å; C179-L181 PolarHBondContact O-N 3.37Å
180P91.5Very high91.4Very high28 Ų2852.8 Ų52.818%0.18227%0.269CS..PPolyproline II helixtrans-59.8127.4174.322.6-34.3000111.8D481P180-D481 HydrophobicContact CB-CB 4.28Å
181L94Very high91.6Very high25 Ų2548.6 Ų48.613%0.13125%0.25CS..EExtended strand (participates in β ladder)trans-89.8129.2-175.117867.6000111.3W171 L174 C179 I183 Y501 L502 T504W171-L181 HydrophobicContact CB-CD2 4.48Å; W171-L181 HydrophobicContact CD2-CD2 3.56Å; W171-L181 VanDerWaalsContact CE2-CD2 3.46Å; W171-L181 HydrophobicContact CE3-CD2 4.2Å; W171-L181 HydrophobicContact CG-CD2 3.68Å; W171-L181 HydrophobicContact CZ2-CD2 4.01Å; L174-L181 HydrophobicContact CD1-CD1 3.95Å; C179-L181 PolarHBondContact O-N 3.37Å; L181-I183 HydrophobicContact CD2-CG2 4.23Å; L181-I183 HydrophobicContact CG-CG2 4.25Å; L181-I183 PolarHBondContact O-N 3.02Å; L181-Y501 VanDerWaalsContact O-CA 3.28Å; L181-Y501 WeakPolarHBondContact O-CA 3.43Å; L181-L502 PolarHBondContact N-O 3.32Å; L181-L502 PolarHBondContact O-N 3.38Å; L181-T504 HydrophobicContact CD2-CG2 4.39Å
182E95.5Very high91.6Very high45 Ų4548.6 Ų48.621%0.2125%0.25CS..EExtended strand (participates in β ladder)trans-76.1110.6165.5-153.2-64.6130.100108.7Y184 Q185 I500 Y501E182-Y184 VanDerWaalsContact OE1-CB 3.3Å; E182-Y184 WeakPolarHBondContact OE1-CB 3.3Å; E182-Y184 PolarHBondContact OE1-N 2.81Å; E182-Y184 PolarHBondContact OE2-N 3.31Å; E182-Y184 VanDerWaalsContact OE2-N 3.07Å; E182-Q185 PolarHBondContact OE2-N 3.4Å; E182-Q185 VanDerWaalsContact OE2-N 3.07Å; E182-I500 WeakPolarHBondContact CA-O 3.2Å; E182-I500 PolarHBondContact OE1-N 3.13Å; E182-Y501 HydrophobicContact CB-CD1 3.91Å; E182-Y501 HydrophobicContact CB-CE1 3.46Å; E182-Y501 VanDerWaalsContact CB-CE1 3.46Å; E182-Y501 HydrophobicContact CG-CD1 4.31Å; E182-Y501 HydrophobicContact CG-CD2 4.48Å; E182-Y501 HydrophobicContact CG-CE1 3.8Å; E182-Y501 HydrophobicContact CG-CE2 3.96Å
183I97.2Very high91.9Very high0 Ų046 Ų460%024%0.238CC..Hα-helixtrans-85.5-23.7-168.766.5175.7000113.4W171 L181 Q185 D186 I187 F332 I500 L502W171-I183 HydrophobicContact CH2-CB 4.13Å; W171-I183 HydrophobicContact CH2-CG2 3.96Å; W171-I183 HydrophobicContact CZ2-CB 4.07Å; W171-I183 HydrophobicContact CZ2-CG2 4.09Å; L181-I183 HydrophobicContact CD2-CG2 4.23Å; L181-I183 HydrophobicContact CG-CG2 4.25Å; L181-I183 PolarHBondContact O-N 3.02Å; I183-Q185 PolarHBondContact O-N 2.97Å; I183-D186 PolarHBondContact O-N 2.75Å; I183-I187 HydrophobicContact CB-CD1 3.85Å; I183-I187 HydrophobicContact CD1-CD1 3.94Å; I183-I187 HydrophobicContact CG1-CD1 3.89Å; I183-I187 WeakPolarHBondContact O-CB 3.28Å; I183-I187 WeakPolarHBondContact O-CD1 3.34Å; I183-I187 WeakPolarHBondContact O-CG1 3.25Å; I183-I187 PolarHBondContact O-N 2.87Å; I183-F332 HydrophobicContact CD1-CB 3.91Å; I183-F332 HydrophobicContact CD1-CD2 4.25Å; I183-I500 HydrophobicContact CD1-CB 4.34Å; I183-I500 HydrophobicContact CD1-CG2 3.67Å; I183-I500 HydrophobicContact CG1-CB 4.06Å; I183-I500 HydrophobicContact CG1-CG2 3.91Å; I183-I500 PolarHBondContact N-O 2.94Å; I183-L502 HydrophobicContact CD1-CD1 3.75Å; I183-L502 HydrophobicContact CD1-CG 4.26Å; I183-L502 HydrophobicContact CG2-CB 4.29Å; I183-L502 HydrophobicContact CG2-CD1 4.28Å; I183-L502 HydrophobicContact CG2-CG 4.32Å
184Y96.1Very high92.1Very high19 Ų1939 Ų398%0.07521%0.205CC..Hα-helixtrans-66-40-168.3178.5-94000111.9E182 S188 N322 A325 K495E182-Y184 VanDerWaalsContact OE1-CB 3.3Å; E182-Y184 WeakPolarHBondContact OE1-CB 3.3Å; E182-Y184 PolarHBondContact OE1-N 2.81Å; E182-Y184 PolarHBondContact OE2-N 3.31Å; E182-Y184 VanDerWaalsContact OE2-N 3.07Å; Y184-S188 WeakPolarHBondContact CE1-OG 3.18Å; Y184-S188 VanDerWaalsContact CZ-OG 3.3Å; Y184-S188 VanDerWaalsContact O-CB 3.27Å; Y184-S188 WeakPolarHBondContact O-CB 3.27Å; Y184-S188 PolarHBondContact O-N 2.94Å; Y184-S188 PolarHBondContact O-OG 3.03Å; Y184-N322 PolarHBondContact OH-OD1 3.46Å; Y184-A325 HydrophobicContact CE2-CB 4.08Å; Y184-K495 VanDerWaalsContact CZ-NZ 3.27Å; Y184-K495 WeakPolarHBondContact OH-CE 3.29Å; Y184-K495 PolarHBondContact OH-NZ 3.01Å
185Q94.3Very high92.5Very high107 Ų10736.8 Ų36.850%0.519%0.194SC..Hα-helixtrans-63.4-45.1-179.5-173.8172.85.100112.2E182 I183 S188 L189E182-Q185 PolarHBondContact OE2-N 3.4Å; E182-Q185 VanDerWaalsContact OE2-N 3.07Å; I183-Q185 PolarHBondContact O-N 2.97Å; Q185-S188 WeakPolarHBondContact O-CB 3.43Å; Q185-S188 PolarHBondContact O-N 2.87Å; Q185-L189 PolarHBondContact O-N 2.82Å
186D95.8Very high93Very high8 Ų835.5 Ų35.54%0.04319%0.186CC..Hα-helixtrans-67.8-42.8-179.7-76.1-5000111.7M167 K170 W171 I183 S188 L189 M190M167-D186 HydrophobicContact CG-CB 4.1Å; M167-D186 HydrophobicContact SD-CB 4.41Å; K170-D186 VanDerWaalsContact NZ-CG 3.33Å; K170-D186 IonicContact NZ-OD1 3.38Å; K170-D186 PolarHBondContact NZ-OD1 3.47Å; K170-D186 IonicContact NZ-OD2 3.26Å; K170-D186 PolarHBondContact NZ-OD2 3.24Å; W171-D186 HydrophobicContact CZ2-CB 4.3Å; W171-D186 PolarHBondContact NE1-OD2 3.43Å; I183-D186 PolarHBondContact O-N 2.75Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.95Å; D186-L189 PolarHBondContact O-N 2.77Å; D186-M190 WeakPolarHBondContact O-CB 3.46Å; D186-M190 PolarHBondContact O-N 3.34Å
187I98.1Very high93.9Very high0 Ų030.5 Ų30.50%016%0.157CC..Hα-helixtrans-63.9-36.4174.6-65.7167.1000110.7M167 W171 I183 M190 T191 A325 I328 S329 F332M167-I187 HydrophobicContact CE-CG1 4.43Å; M167-I187 HydrophobicContact SD-CB 4.4Å; M167-I187 HydrophobicContact SD-CG1 3.78Å; W171-I187 HydrophobicContact CH2-CD1 4.44Å; W171-I187 HydrophobicContact CH2-CG1 4.43Å; W171-I187 HydrophobicContact CZ2-CG1 4.25Å; I183-I187 HydrophobicContact CB-CD1 3.85Å; I183-I187 HydrophobicContact CD1-CD1 3.94Å; I183-I187 HydrophobicContact CG1-CD1 3.89Å; I183-I187 WeakPolarHBondContact O-CB 3.28Å; I183-I187 WeakPolarHBondContact O-CD1 3.34Å; I183-I187 WeakPolarHBondContact O-CG1 3.25Å; I183-I187 PolarHBondContact O-N 2.87Å; I187-M190 HydrophobicContact CG2-CE 4.39Å; I187-M190 PolarHBondContact O-N 2.98Å; I187-T191 HydrophobicContact CG2-CG2 4.25Å; I187-T191 WeakPolarHBondContact O-CB 3.44Å; I187-T191 WeakPolarHBondContact O-CG2 3.22Å; I187-T191 PolarHBondContact O-N 2.88Å; I187-T191 PolarHBondContact O-OG1 3.28Å; I187-A325 HydrophobicContact CG2-CB 3.95Å; I187-I328 HydrophobicContact CD1-CG2 3.89Å; I187-I328 HydrophobicContact CG1-CG2 4.24Å; I187-I328 HydrophobicContact CG2-CB 3.7Å; I187-I328 HydrophobicContact CG2-CD1 4.13Å; I187-I328 HydrophobicContact CG2-CG1 4.44Å; I187-I328 HydrophobicContact CG2-CG2 3.85Å; I187-S329 WeakPolarHBondContact CD1-OG 3.44Å; I187-F332 HydrophobicContact CD1-CD2 3.8Å; I187-F332 HydrophobicContact CD1-CE2 3.94Å; I187-F332 HydrophobicContact CG1-CE2 4.43Å
188S97Very high94.7Very high0 Ų024.5 Ų24.50%013%0.129CC..Hα-helixtrans-65.1-40.4177-63.80000112.1Y184 Q185 D186 T191 M192 A325Y184-S188 WeakPolarHBondContact CE1-OG 3.18Å; Y184-S188 VanDerWaalsContact CZ-OG 3.3Å; Y184-S188 VanDerWaalsContact O-CB 3.27Å; Y184-S188 WeakPolarHBondContact O-CB 3.27Å; Y184-S188 PolarHBondContact O-N 2.94Å; Y184-S188 PolarHBondContact O-OG 3.03Å; Q185-S188 WeakPolarHBondContact O-CB 3.43Å; Q185-S188 PolarHBondContact O-N 2.87Å; D186-S188 VanDerWaalsContact C-N 3.28Å; D186-S188 PolarHBondContact O-N 2.95Å; S188-T191 PolarHBondContact O-OG1 3.2Å; S188-M192 VanDerWaalsContact O-CB 3.24Å; S188-M192 WeakPolarHBondContact O-CB 3.04Å; S188-M192 PolarHBondContact O-N 3.07Å; S188-A325 WeakPolarHBondContact OG-CB 3.38Å
189L96.8Very high95.5Very high9 Ų918.4 Ų18.45%0.04710%0.098CC..Hα-helixtrans-66-43.7173.8-75.7164000111.6Q185 D186 M192 E193 Q207 K213 I216Q185-L189 PolarHBondContact O-N 2.82Å; D186-L189 PolarHBondContact O-N 2.77Å; L189-M192 PolarHBondContact O-N 3.5Å; L189-E193 WeakPolarHBondContact O-CB 3.33Å; L189-E193 PolarHBondContact O-N 3.12Å; L189-Q207 HydrophobicContact CB-CG 4.07Å; L189-K213 HydrophobicContact CD2-CG 4.22Å; L189-I216 HydrophobicContact CB-CD1 4.28Å; L189-I216 HydrophobicContact CD2-CD1 3.42Å; L189-I216 VanDerWaalsContact CD2-CD1 3.42Å; L189-I216 HydrophobicContact CG-CD1 3.62Å
190M98Very high95.9Very high0 Ų014.8 Ų14.80%07%0.073CC..Hα-helixtrans-61.6-50178-179.5-78.3-67.900111.9S163 V164 M167 D186 I187 M192 E193 T194 I328 A468S163-M190 WeakPolarHBondContact O-CG 2.97Å; V164-M190 HydrophobicContact CG2-CE 4.09Å; V164-M190 HydrophobicContact CG2-CG 4.18Å; V164-M190 HydrophobicContact CG2-SD 3.73Å; M167-M190 HydrophobicContact CB-CB 4.17Å; M167-M190 HydrophobicContact CB-CG 4.21Å; M167-M190 HydrophobicContact CG-CB 4.4Å; M167-M190 HydrophobicContact SD-CB 3.85Å; M167-M190 HydrophobicContact SD-CE 4.46Å; M167-M190 HydrophobicContact SD-CG 4.18Å; D186-M190 WeakPolarHBondContact O-CB 3.46Å; D186-M190 PolarHBondContact O-N 3.34Å; I187-M190 HydrophobicContact CG2-CE 4.39Å; I187-M190 PolarHBondContact O-N 2.98Å; M190-M192 VanDerWaalsContact C-N 3.32Å; M190-M192 PolarHBondContact O-N 3.49Å; M190-E193 WeakPolarHBondContact O-CB 3.34Å; M190-E193 PolarHBondContact O-N 2.96Å; M190-E193 VanDerWaalsContact O-N 3.11Å; M190-T194 PolarHBondContact O-N 3.15Å; M190-T194 PolarHBondContact O-OG1 3.19Å; M190-I328 HydrophobicContact CE-CD1 3.54Å; M190-A468 HydrophobicContact CE-CB 4.32Å
191T98Very high95.8Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-67-33.6179.952.70000112.6I187 S188 M195 H321 T324 A325 I328 E464I187-T191 HydrophobicContact CG2-CG2 4.25Å; I187-T191 WeakPolarHBondContact O-CB 3.44Å; I187-T191 WeakPolarHBondContact O-CG2 3.22Å; I187-T191 PolarHBondContact O-N 2.88Å; I187-T191 PolarHBondContact O-OG1 3.28Å; S188-T191 PolarHBondContact O-OG1 3.2Å; T191-M195 VanDerWaalsContact O-CB 3.27Å; T191-M195 WeakPolarHBondContact O-CB 3.49Å; T191-M195 PolarHBondContact O-N 2.89Å; T191-H321 PolarHBondContact OG1-O 2.73Å; T191-T324 HydrophobicContact CG2-CG2 3.79Å; T191-A325 HydrophobicContact CG2-CB 4.35Å; T191-I328 HydrophobicContact CG2-CD1 3.75Å; T191-E464 WeakPolarHBondContact CA-OE1 3.36Å
192M96.4Very high95.8Very high0 Ų014.1 Ų14.10%07%0.069CC..Hα-helixtrans-64-42.6171.3-174.817817100110.9S188 L189 M190 M195 M196 V206 Y215 I216 H321S188-M192 VanDerWaalsContact O-CB 3.24Å; S188-M192 WeakPolarHBondContact O-CB 3.04Å; S188-M192 PolarHBondContact O-N 3.07Å; L189-M192 PolarHBondContact O-N 3.5Å; M190-M192 VanDerWaalsContact C-N 3.32Å; M190-M192 PolarHBondContact O-N 3.49Å; M192-M195 PolarHBondContact O-N 3.32Å; M192-M196 HydrophobicContact CE-SD 3.49Å; M192-M196 WeakPolarHBondContact CE-SD 3.27Å; M192-M196 HydrophobicContact CG-CG 4.34Å; M192-M196 HydrophobicContact CG-SD 3.92Å; M192-M196 WeakPolarHBondContact O-CB 3.34Å; M192-M196 VanDerWaalsContact O-CG 3.24Å; M192-M196 WeakPolarHBondContact O-CG 3.15Å; M192-M196 PolarHBondContact O-N 2.83Å; M192-V206 HydrophobicContact CB-CG1 4.11Å; M192-V206 HydrophobicContact CE-CG1 4.27Å; M192-V206 HydrophobicContact CG-CG1 3.79Å; M192-V206 HydrophobicContact SD-CG1 3.96Å; M192-Y215 HydrophobicContact CE-CD1 3.26Å; M192-Y215 HydrophobicContact CE-CE1 3.9Å; M192-Y215 HydrophobicContact CE-CG 3.83Å; M192-Y215 HydrophobicContact SD-CD1 3.63Å; M192-Y215 HydrophobicContact SD-CE1 4.2Å; M192-I216 HydrophobicContact SD-CD1 3.97Å; M192-I216 HydrophobicContact SD-CG1 3.66Å; M192-H321 HydrophobicContact CB-CB 3.94Å
193E97.3Very high95.4Very high2 Ų218.8 Ų18.81%0.0099%0.091CC..Hα-helixtrans-60.9-51.8176.3-168.8166.7100.800112.2S163 L189 M190 M195 M196 K197 V206 Q207S163-E193 PolarHBondContact OG-OE1 3.49Å; L189-E193 WeakPolarHBondContact O-CB 3.33Å; L189-E193 PolarHBondContact O-N 3.12Å; M190-E193 WeakPolarHBondContact O-CB 3.34Å; M190-E193 PolarHBondContact O-N 2.96Å; M190-E193 VanDerWaalsContact O-N 3.11Å; E193-M195 VanDerWaalsContact C-N 3.3Å; E193-M195 PolarHBondContact O-N 3.32Å; E193-M196 PolarHBondContact O-N 2.78Å; E193-K197 HydrophobicContact CG-CD 3.82Å; E193-K197 VanDerWaalsContact CG-CE 3.48Å; E193-K197 HydrophobicContact CG-CG 4.28Å; E193-K197 WeakPolarHBondContact O-CB 3.43Å; E193-K197 WeakPolarHBondContact O-CG 3.19Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.65Å; E193-K197 PolarHBondContact OE1-NZ 3.03Å; E193-K197 IonicContact OE2-NZ 3.57Å; E193-V206 HydrophobicContact CB-CB 3.76Å; E193-V206 HydrophobicContact CB-CG1 4.31Å; E193-V206 HydrophobicContact CB-CG2 4.25Å; E193-V206 HydrophobicContact CG-CB 3.91Å; E193-V206 HydrophobicContact CG-CG2 4.14Å; E193-V206 PolarHBondContact OE2-N 3.43Å; E193-Q207 HydrophobicContact CB-CG 4.23Å; E193-Q207 PolarHBondContact OE1-NE2 3.43Å; E193-Q207 PolarHBondContact OE2-N 3.37Å; E193-Q207 VanDerWaalsContact OE2-N 3.09Å
194T97.2Very high94.8Very high0 Ų019.7 Ų19.70%010%0.1CC..Hα-helixtrans-53.8-50.6177.2-57.80000110.5M160 S163 M190 K197 C198 F460 E464M160-T194 HydrophobicContact CB-CG2 4.27Å; M160-T194 HydrophobicContact CE-CG2 4.26Å; M160-T194 HydrophobicContact CG-CG2 3.38Å; S163-T194 WeakPolarHBondContact CB-OG1 3.44Å; M190-T194 PolarHBondContact O-N 3.15Å; M190-T194 PolarHBondContact O-OG1 3.19Å; T194-K197 PolarHBondContact O-N 2.92Å; T194-C198 WeakPolarHBondContact O-CB 3.2Å; T194-C198 PolarHBondContact O-N 3.47Å; T194-C198 PolarHBondContact O-SG 2.63Å; T194-F460 HydrophobicContact CG2-CZ 3.84Å; T194-E464 WeakPolarHBondContact CB-OE1 3.09Å; T194-E464 HydrophobicContact CG2-CG 4.4Å; T194-E464 WeakPolarHBondContact CG2-OE1 3.37Å; T194-E464 PolarHBondContact OG1-OE1 3.34Å
195M95.7Very high94.5Very high7 Ų721.6 Ų21.63%0.03412%0.116CC..Hα-helixtrans-63-46-178.8-179.3-72.3-56.800111.3T191 M192 E193 C198 A199 F200 M317T191-M195 VanDerWaalsContact O-CB 3.27Å; T191-M195 WeakPolarHBondContact O-CB 3.49Å; T191-M195 PolarHBondContact O-N 2.89Å; M192-M195 PolarHBondContact O-N 3.32Å; E193-M195 VanDerWaalsContact C-N 3.3Å; E193-M195 PolarHBondContact O-N 3.32Å; M195-C198 PolarHBondContact O-N 3.36Å; M195-A199 WeakPolarHBondContact O-CA 3.38Å; M195-A199 WeakPolarHBondContact O-CB 3.31Å; M195-A199 PolarHBondContact O-N 3.13Å; M195-A199 HydrophobicContact SD-CB 4.3Å; M195-F200 HydrophobicContact CE-CD2 4.3Å; M195-F200 HydrophobicContact CE-CE2 3.66Å; M195-F200 HydrophobicContact CE-CZ 4.28Å; M195-F200 HydrophobicContact SD-CD2 3.92Å; M195-F200 HydrophobicContact SD-CE1 4.22Å; M195-F200 HydrophobicContact SD-CE2 3.32Å; M195-F200 WeakPolarHBondContact SD-CE2 3.41Å; M195-F200 HydrophobicContact SD-CZ 3.5Å; M195-F200 WeakPolarHBondContact SD-CZ 3.39Å; M195-M317 HydrophobicContact CE-CB 4.1Å; M195-M317 HydrophobicContact CE-CG 3.65Å
196M95.5Very high94.3Very high0 Ų016.5 Ų16.50%09%0.092CC..Hα-helixtrans-64.5-43179.5-72.9-178.468.800112.6M192 E193 F200 S201 Y202 V206 H260 V264M192-M196 HydrophobicContact CE-SD 3.49Å; M192-M196 WeakPolarHBondContact CE-SD 3.27Å; M192-M196 HydrophobicContact CG-CG 4.34Å; M192-M196 HydrophobicContact CG-SD 3.92Å; M192-M196 WeakPolarHBondContact O-CB 3.34Å; M192-M196 VanDerWaalsContact O-CG 3.24Å; M192-M196 WeakPolarHBondContact O-CG 3.15Å; M192-M196 PolarHBondContact O-N 2.83Å; E193-M196 PolarHBondContact O-N 2.78Å; M196-F200 HydrophobicContact CB-CD2 4.45Å; M196-F200 HydrophobicContact CG-CD2 4.1Å; M196-F200 CarbonylContact O-C 3.59Å; M196-F200 WeakPolarHBondContact O-CA 3.34Å; M196-F200 WeakPolarHBondContact O-CB 3.44Å; M196-F200 PolarHBondContact O-N 3.39Å; M196-S201 PolarHBondContact O-N 3.48Å; M196-Y202 HydrophobicContact CB-CD1 4.33Å; M196-Y202 HydrophobicContact CB-CG 4.28Å; M196-Y202 HydrophobicContact CE-CD1 3.8Å; M196-Y202 HydrophobicContact CE-CD2 3.86Å; M196-Y202 HydrophobicContact CE-CE1 3.95Å; M196-Y202 HydrophobicContact CE-CE2 4.01Å; M196-Y202 HydrophobicContact CE-CG 3.75Å; M196-Y202 VanDerWaalsContact O-CB 3.3Å; M196-Y202 WeakPolarHBondContact O-CB 3.25Å; M196-Y202 PolarHBondContact O-N 3.38Å; M196-Y202 VanDerWaalsContact O-N 3.12Å; M196-V206 HydrophobicContact CB-CG2 4.22Å; M196-V206 HydrophobicContact CE-CG2 4.08Å; M196-V206 HydrophobicContact CG-CG2 4.43Å; M196-V206 HydrophobicContact SD-CB 4.5Å; M196-V206 HydrophobicContact SD-CG1 4.12Å; M196-V206 HydrophobicContact SD-CG2 3.5Å; M196-V206 WeakPolarHBondContact SD-CG2 3.45Å; M196-H260 WeakPolarHBondContact CE-NE2 3.5Å; M196-V264 HydrophobicContact CE-CG2 3.74Å
197K95.3Very high94.2Very high47 Ų4717 Ų1720%0.20410%0.095CC..Hα-helixtrans-66.8-44.3178.2-71.9178.9176168.70111.5I159 E193 T194 Y202 G204I159-K197 HydrophobicContact CG2-CB 3.45Å; I159-K197 VanDerWaalsContact CG2-CB 3.45Å; I159-K197 HydrophobicContact CG2-CD 3.83Å; I159-K197 HydrophobicContact CG2-CG 4.28Å; E193-K197 HydrophobicContact CG-CD 3.82Å; E193-K197 VanDerWaalsContact CG-CE 3.48Å; E193-K197 HydrophobicContact CG-CG 4.28Å; E193-K197 WeakPolarHBondContact O-CB 3.43Å; E193-K197 WeakPolarHBondContact O-CG 3.19Å; E193-K197 PolarHBondContact O-N 2.83Å; E193-K197 IonicContact OE1-NZ 2.65Å; E193-K197 PolarHBondContact OE1-NZ 3.03Å; E193-K197 IonicContact OE2-NZ 3.57Å; T194-K197 PolarHBondContact O-N 2.92Å; K197-Y202 WeakPolarHBondContact CG-O 3.27Å; K197-G204 WeakPolarHBondContact CE-O 3.47Å
198C95.1Very high93.7Very high1 Ų123.4 Ų23.41%0.00713%0.128CC..Hα-helixtrans-74-54.2-177.9-64.90000112.2Y156 T194 M195 D288 F460Y156-C198 HydrophobicContact CD1-CB 3.72Å; Y156-C198 HydrophobicContact CD2-CB 3.78Å; Y156-C198 HydrophobicContact CE1-CB 3.75Å; Y156-C198 WeakPolarHBondContact CE1-O 3.4Å; Y156-C198 HydrophobicContact CE2-CB 3.82Å; Y156-C198 HydrophobicContact CG-CB 3.73Å; Y156-C198 VanDerWaalsContact CG-SG 3.55Å; Y156-C198 PolarHBondContact OH-O 3.01Å; T194-C198 WeakPolarHBondContact O-CB 3.2Å; T194-C198 PolarHBondContact O-N 3.47Å; T194-C198 PolarHBondContact O-SG 2.63Å; M195-C198 PolarHBondContact O-N 3.36Å; C198-D288 WeakPolarHBondContact O-CB 3.22Å; C198-F460 HydrophobicContact CB-CE2 3.76Å; C198-F460 HydrophobicContact CB-CZ 4.25Å
199A94.2Very high93.4Very high10 Ų1025.4 Ų25.48%0.08314%0.137CC..Hα-helixtrans-86.9-28.6-169.100000113M195 F289 L290M195-A199 WeakPolarHBondContact O-CA 3.38Å; M195-A199 WeakPolarHBondContact O-CB 3.31Å; M195-A199 PolarHBondContact O-N 3.13Å; M195-A199 HydrophobicContact SD-CB 4.3Å; A199-F289 HydrophobicContact CB-CB 3.98Å; A199-F289 WeakPolarHBondContact O-CB 3.43Å; A199-F289 PolarHBondContact O-N 3.04Å; A199-L290 PolarHBondContact O-N 2.85Å
200F94.1Very high93.1Very high2 Ų230.6 Ų30.61%0.00916%0.161CC..Hα-helixtrans-115.69.8-173-51.9-29.7000114.1M195 M196 Y202 V264 F289 L290 M313 F316 M317M195-F200 HydrophobicContact CE-CD2 4.3Å; M195-F200 HydrophobicContact CE-CE2 3.66Å; M195-F200 HydrophobicContact CE-CZ 4.28Å; M195-F200 HydrophobicContact SD-CD2 3.92Å; M195-F200 HydrophobicContact SD-CE1 4.22Å; M195-F200 HydrophobicContact SD-CE2 3.32Å; M195-F200 WeakPolarHBondContact SD-CE2 3.41Å; M195-F200 HydrophobicContact SD-CZ 3.5Å; M195-F200 WeakPolarHBondContact SD-CZ 3.39Å; M196-F200 HydrophobicContact CB-CD2 4.45Å; M196-F200 HydrophobicContact CG-CD2 4.1Å; M196-F200 CarbonylContact O-C 3.59Å; M196-F200 WeakPolarHBondContact O-CA 3.34Å; M196-F200 WeakPolarHBondContact O-CB 3.44Å; M196-F200 PolarHBondContact O-N 3.39Å; F200-Y202 PolarHBondContact O-N 2.62Å; F200-Y202 VanDerWaalsContact O-N 3.09Å; F200-V264 HydrophobicContact CB-CG1 4.12Å; F200-V264 HydrophobicContact CD2-CG1 4.45Å; F200-F289 AromaticContact CD1-CD1 3.91Å; F200-F289 HydrophobicContact CD1-CD1 3.91Å; F200-F289 AromaticContact CE1-CD1 3.46Å; F200-F289 HydrophobicContact CE1-CD1 3.46Å; F200-F289 VanDerWaalsContact CE1-CD1 3.46Å; F200-F289 AromaticContact CE1-CE1 3.75Å; F200-F289 HydrophobicContact CE1-CE1 3.75Å; F200-F289 HydrophobicContact CE1-CG 4.43Å; F200-L290 HydrophobicContact CB-CB 4.32Å; F200-L290 HydrophobicContact CB-CD2 4.05Å; F200-L290 HydrophobicContact CD1-CB 4.05Å; F200-M313 HydrophobicContact CD1-CE 4.04Å; F200-M313 HydrophobicContact CD2-CE 4.11Å; F200-M313 HydrophobicContact CE1-CE 4.22Å; F200-M313 HydrophobicContact CE2-CE 4.26Å; F200-M313 HydrophobicContact CG-CE 4Å; F200-M313 HydrophobicContact CZ-CE 4.32Å; F200-F316 HydrophobicContact CE1-CB 4.45Å; F200-F316 HydrophobicContact CZ-CB 4.28Å; F200-M317 HydrophobicContact CE2-CB 3.83Å; F200-M317 HydrophobicContact CE2-CG 4.01Å; F200-M317 HydrophobicContact CE2-SD 3.87Å; F200-M317 HydrophobicContact CZ-CB 4.02Å
201S90.6Very high92.6Very high24 Ų2435 Ų3517%0.16819%0.185CC..  trans52.231.3-176.8-89.30000112.7M196 D288M196-S201 PolarHBondContact O-N 3.48Å; S201-D288 PolarHBondContact OG-OD2 2.99Å
202Y93Very high92.3Very high16 Ų1635 Ų356%0.06319%0.185CC..  trans-71.9134.1-179.8-165.9-111.7000110.7M196 K197 F200 V206 E209 R263 V264 M267M196-Y202 HydrophobicContact CB-CD1 4.33Å; M196-Y202 HydrophobicContact CB-CG 4.28Å; M196-Y202 HydrophobicContact CE-CD1 3.8Å; M196-Y202 HydrophobicContact CE-CD2 3.86Å; M196-Y202 HydrophobicContact CE-CE1 3.95Å; M196-Y202 HydrophobicContact CE-CE2 4.01Å; M196-Y202 HydrophobicContact CE-CG 3.75Å; M196-Y202 VanDerWaalsContact O-CB 3.3Å; M196-Y202 WeakPolarHBondContact O-CB 3.25Å; M196-Y202 PolarHBondContact O-N 3.38Å; M196-Y202 VanDerWaalsContact O-N 3.12Å; K197-Y202 WeakPolarHBondContact CG-O 3.27Å; F200-Y202 PolarHBondContact O-N 2.62Å; F200-Y202 VanDerWaalsContact O-N 3.09Å; Y202-V206 HydrophobicContact CD1-CG2 3.74Å; Y202-V206 HydrophobicContact CE1-CG2 3.69Å; Y202-E209 WeakPolarHBondContact CE1-OE1 3.5Å; Y202-E209 PolarHBondContact OH-OE1 3.43Å; Y202-E209 PolarHBondContact OH-OE2 3.4Å; Y202-R263 PolarHBondContact OH-NH1 2.83Å; Y202-R263 PolarHBondContact OH-NH2 2.89Å; Y202-V264 HydrophobicContact CE2-CG2 4.47Å; Y202-M267 HydrophobicContact CE2-CE 3.82Å; Y202-M267 HydrophobicContact CE2-SD 4.15Å
203Q86.9Confident92.2Very high143 Ų14338.9 Ų38.967%0.66820%0.202SC*.  trans-104.9-4.2-177.4-67.8176.7-2200113.5Q271Q203-Q271 VanDerWaalsContact OE1-NE2 3.15Å
204G85.9Confident92Very high19 Ų1941.3 Ų41.320%0.19622%0.219CC..SBendtrans-86171.6-178.500000114.1K197K197-G204 WeakPolarHBondContact CE-O 3.47Å
205S89.3Confident92Very high58 Ų5841.3 Ų41.341%0.40622%0.219SC..  trans-99.186.3177.8-61.90000110.1Q207 L208 E209S205-Q207 PolarHBondContact O-N 3.46Å; S205-L208 PolarHBondContact O-N 3.16Å; S205-E209 PolarHBondContact N-OE1 2.95Å; S205-E209 WeakPolarHBondContact O-CG 3.26Å; S205-E209 PolarHBondContact O-N 3.44Å
206V90.2Very high91.9Very high0 Ų041.4 Ų41.40%022%0.22CC..THydrogen-bonded Turntrans-55.2-36.9-177174.60000111.7M192 E193 M196 Y202 L208 E209 S212M192-V206 HydrophobicContact CB-CG1 4.11Å; M192-V206 HydrophobicContact CE-CG1 4.27Å; M192-V206 HydrophobicContact CG-CG1 3.79Å; M192-V206 HydrophobicContact SD-CG1 3.96Å; E193-V206 HydrophobicContact CB-CB 3.76Å; E193-V206 HydrophobicContact CB-CG1 4.31Å; E193-V206 HydrophobicContact CB-CG2 4.25Å; E193-V206 HydrophobicContact CG-CB 3.91Å; E193-V206 HydrophobicContact CG-CG2 4.14Å; E193-V206 PolarHBondContact OE2-N 3.43Å; M196-V206 HydrophobicContact CB-CG2 4.22Å; M196-V206 HydrophobicContact CE-CG2 4.08Å; M196-V206 HydrophobicContact CG-CG2 4.43Å; M196-V206 HydrophobicContact SD-CB 4.5Å; M196-V206 HydrophobicContact SD-CG1 4.12Å; M196-V206 HydrophobicContact SD-CG2 3.5Å; M196-V206 WeakPolarHBondContact SD-CG2 3.45Å; Y202-V206 HydrophobicContact CD1-CG2 3.74Å; Y202-V206 HydrophobicContact CE1-CG2 3.69Å; V206-L208 PolarHBondContact O-N 2.94Å; V206-E209 PolarHBondContact O-N 2.84Å; V206-S212 WeakPolarHBondContact CG1-OG 3.44Å; V206-S212 WeakPolarHBondContact O-CB 3.24Å; V206-S212 PolarHBondContact O-OG 3.48Å
207Q93.4Very high92Very high20 Ų2046.6 Ų46.69%0.09324%0.242CC..THydrogen-bonded Turntrans-66.1-22.1-179.7-62.2-174.463.300113.8S163 V166 L189 E193 S205S163-Q207 PolarHBondContact O-NE2 3.16Å; V166-Q207 HydrophobicContact CG1-CB 4.08Å; V166-Q207 HydrophobicContact CG1-CG 4.38Å; L189-Q207 HydrophobicContact CB-CG 4.07Å; E193-Q207 HydrophobicContact CB-CG 4.23Å; E193-Q207 PolarHBondContact OE1-NE2 3.43Å; E193-Q207 PolarHBondContact OE2-N 3.37Å; E193-Q207 VanDerWaalsContact OE2-N 3.09Å; S205-Q207 PolarHBondContact O-N 3.46Å
208L88.8Confident92.1Very high133 Ų13344.5 Ų44.570%0.69623%0.233SC*.THydrogen-bonded Turntrans-104-13.4-178-55.3178.6000112.9S205 V206S205-L208 PolarHBondContact O-N 3.16Å; V206-L208 PolarHBondContact O-N 2.94Å
209E90Very high92.1Very high43 Ų4344.4 Ų44.420%0.20123%0.233CC..  trans-85129.3-175.8-76.2175-155.800113.3Y202 S205 V206 N211 S212 K213 R263Y202-E209 WeakPolarHBondContact CE1-OE1 3.5Å; Y202-E209 PolarHBondContact OH-OE1 3.43Å; Y202-E209 PolarHBondContact OH-OE2 3.4Å; S205-E209 PolarHBondContact N-OE1 2.95Å; S205-E209 WeakPolarHBondContact O-CG 3.26Å; S205-E209 PolarHBondContact O-N 3.44Å; V206-E209 PolarHBondContact O-N 2.84Å; E209-N211 VanDerWaalsContact C-N 3.3Å; E209-N211 PolarHBondContact O-N 2.93Å; E209-S212 WeakPolarHBondContact O-CB 3.49Å; E209-S212 PolarHBondContact O-N 2.68Å; E209-S212 VanDerWaalsContact O-N 3.14Å; E209-K213 PolarHBondContact O-N 3.3Å; E209-R263 IonicContact OE2-NH2 3.77Å
210E89.5Confident92.2Very high117 Ų11746.8 Ų46.855%0.54724%0.243SC..Hα-helixtrans-66.1-31.7177.9-164.654.3-141.600113.3S212 K213 S214E210-S212 PolarHBondContact O-N 2.98Å; E210-K213 PolarHBondContact O-N 3.02Å; E210-K213 WeakPolarHBondContact OE2-CD 3.4Å; E210-K213 IonicContact OE2-NZ 3.72Å; E210-K213 PolarHBondContact OE2-NZ 2.85Å; E210-S214 PolarHBondContact O-N 3.38Å; E210-S214 PolarHBondContact O-OG 3.45Å; E210-S214 VanDerWaalsContact O-OG 3.09Å
211N89.1Confident92.3Very high94 Ų9449.4 Ų49.450%0.50326%0.257SS..Hα-helixtrans-62.4-30.4175.1-72.2-33.5000112.6E209 Y215 H260E209-N211 VanDerWaalsContact C-N 3.3Å; E209-N211 PolarHBondContact O-N 2.93Å; N211-Y215 WeakPolarHBondContact O-CB 3.27Å; N211-Y215 PolarHBondContact O-N 3.25Å; N211-H260 PolarHBondContact O-ND1 2.9Å
212S91.3Very high92.7Very high0 Ų048.3 Ų48.30%025%0.249CC..Hα-helixtrans-76.9-39.8179.3-59.50000111.1V206 E209 E210 S214 Y215 I216V206-S212 WeakPolarHBondContact CG1-OG 3.44Å; V206-S212 WeakPolarHBondContact O-CB 3.24Å; V206-S212 PolarHBondContact O-OG 3.48Å; E209-S212 WeakPolarHBondContact O-CB 3.49Å; E209-S212 PolarHBondContact O-N 2.68Å; E209-S212 VanDerWaalsContact O-N 3.14Å; E210-S212 PolarHBondContact O-N 2.98Å; S212-S214 VanDerWaalsContact C-N 3.34Å; S212-S214 PolarHBondContact O-N 2.83Å; S212-Y215 WeakPolarHBondContact O-CB 3.46Å; S212-Y215 PolarHBondContact O-N 3.41Å; S212-I216 WeakPolarHBondContact O-CG1 3.26Å; S212-I216 PolarHBondContact O-N 2.82Å
213K92.9Very high92.8Very high80 Ų8047.8 Ų47.835%0.34825%0.247SC..Hα-helixtrans-60.9-44.1170.9-62.1-177.9-160.9153.50111.7L189 E209 E210 Y215 I216 K217L189-K213 HydrophobicContact CD2-CG 4.22Å; E209-K213 PolarHBondContact O-N 3.3Å; E210-K213 PolarHBondContact O-N 3.02Å; E210-K213 WeakPolarHBondContact OE2-CD 3.4Å; E210-K213 IonicContact OE2-NZ 3.72Å; E210-K213 PolarHBondContact OE2-NZ 2.85Å; K213-Y215 VanDerWaalsContact C-N 3.3Å; K213-Y215 PolarHBondContact O-N 3.04Å; K213-I216 PolarHBondContact O-N 3.37Å; K213-K217 WeakPolarHBondContact O-CB 3.26Å; K213-K217 PolarHBondContact O-N 3.33Å
214S94.9Very high93.1Very high53 Ų5344.3 Ų44.337%0.37123%0.231SC..Hα-helixtrans-60.1-40.5175.4-63.40000111.8E210 S212 A218E210-S214 PolarHBondContact O-N 3.38Å; E210-S214 PolarHBondContact O-OG 3.45Å; E210-S214 VanDerWaalsContact O-OG 3.09Å; S212-S214 VanDerWaalsContact C-N 3.34Å; S212-S214 PolarHBondContact O-N 2.83Å; S214-A218 WeakPolarHBondContact O-CB 3.36Å; S214-A218 PolarHBondContact O-N 3.45Å
215Y95.8Very high93.6Very high0 Ų044 Ų440%023%0.225CC..Hα-helixtrans-64.4-49.5174.5176.6-94.6000112.3M192 N211 S212 K213 K217 A218 V219 A257 H260 M317M192-Y215 HydrophobicContact CE-CD1 3.26Å; M192-Y215 HydrophobicContact CE-CE1 3.9Å; M192-Y215 HydrophobicContact CE-CG 3.83Å; M192-Y215 HydrophobicContact SD-CD1 3.63Å; M192-Y215 HydrophobicContact SD-CE1 4.2Å; N211-Y215 WeakPolarHBondContact O-CB 3.27Å; N211-Y215 PolarHBondContact O-N 3.25Å; S212-Y215 WeakPolarHBondContact O-CB 3.46Å; S212-Y215 PolarHBondContact O-N 3.41Å; K213-Y215 VanDerWaalsContact C-N 3.3Å; K213-Y215 PolarHBondContact O-N 3.04Å; Y215-K217 VanDerWaalsContact C-N 3.28Å; Y215-K217 PolarHBondContact O-N 2.99Å; Y215-A218 WeakPolarHBondContact O-CB 3.42Å; Y215-A218 PolarHBondContact O-N 3.01Å; Y215-A218 VanDerWaalsContact O-N 3.08Å; Y215-V219 HydrophobicContact CD1-CG2 3.99Å; Y215-V219 HydrophobicContact CE1-CG2 3.45Å; Y215-V219 VanDerWaalsContact CE1-CG2 3.45Å; Y215-V219 HydrophobicContact CE2-CG2 4Å; Y215-V219 VanDerWaalsContact CZ-CG2 3.44Å; Y215-V219 WeakPolarHBondContact O-CG2 3.38Å; Y215-V219 PolarHBondContact O-N 2.93Å; Y215-A257 HydrophobicContact CD2-CB 4.29Å; Y215-A257 HydrophobicContact CE2-CB 3.89Å; Y215-H260 HydrophobicContact CD2-CB 3.7Å; Y215-H260 AromaticContact CD2-CG 3.9Å; Y215-H260 HydrophobicContact CG-CB 4.31Å; Y215-M317 HydrophobicContact CD2-CE 3.85Å; Y215-M317 HydrophobicContact CE1-CE 4.11Å; Y215-M317 HydrophobicContact CE1-CG 3.87Å; Y215-M317 HydrophobicContact CE1-SD 4.49Å; Y215-M317 HydrophobicContact CE2-CE 3.24Å; Y215-M317 WeakPolarHBondContact OH-CG 3.44Å
216I95.2Very high93.9Very high10 Ų1041.3 Ų41.35%0.05121%0.206CC..Hα-helixtrans-57.1-45.7178.2-71.5176.9000110.2L189 M192 S212 K213 A218 V219 E220L189-I216 HydrophobicContact CB-CD1 4.28Å; L189-I216 HydrophobicContact CD2-CD1 3.42Å; L189-I216 VanDerWaalsContact CD2-CD1 3.42Å; L189-I216 HydrophobicContact CG-CD1 3.62Å; M192-I216 HydrophobicContact SD-CD1 3.97Å; M192-I216 HydrophobicContact SD-CG1 3.66Å; S212-I216 WeakPolarHBondContact O-CG1 3.26Å; S212-I216 PolarHBondContact O-N 2.82Å; K213-I216 PolarHBondContact O-N 3.37Å; I216-A218 VanDerWaalsContact C-N 3.33Å; I216-A218 PolarHBondContact O-N 2.9Å; I216-V219 WeakPolarHBondContact O-CB 3.17Å; I216-V219 PolarHBondContact O-N 2.91Å; I216-V219 VanDerWaalsContact O-N 3.13Å; I216-E220 WeakPolarHBondContact O-CG 3.3Å; I216-E220 PolarHBondContact O-N 3.16Å
217K95.8Very high94Very high108 Ų10842.5 Ų42.547%0.4721%0.21SC..Hα-helixtrans-58.6-44.2176.3-179.454.5179.4148.90112K213 Y215 V219 E220 D221K213-K217 WeakPolarHBondContact O-CB 3.26Å; K213-K217 PolarHBondContact O-N 3.33Å; Y215-K217 VanDerWaalsContact C-N 3.28Å; Y215-K217 PolarHBondContact O-N 2.99Å; K217-V219 PolarHBondContact O-N 3.16Å; K217-E220 WeakPolarHBondContact O-CB 3.42Å; K217-E220 PolarHBondContact O-N 3.47Å; K217-D221 IonicContact NZ-OD1 2.75Å; K217-D221 PolarHBondContact NZ-OD1 2.87Å; K217-D221 IonicContact NZ-OD2 2.65Å; K217-D221 PolarHBondContact O-N 2.82Å
218A97.5Very high93.9Very high3 Ų344.3 Ų44.33%0.02522%0.221CC..Hα-helixtrans-60.6-42.417500000112.1S214 Y215 I216 E220 D221 L222 A253 I256S214-A218 WeakPolarHBondContact O-CB 3.36Å; S214-A218 PolarHBondContact O-N 3.45Å; Y215-A218 WeakPolarHBondContact O-CB 3.42Å; Y215-A218 PolarHBondContact O-N 3.01Å; Y215-A218 VanDerWaalsContact O-N 3.08Å; I216-A218 VanDerWaalsContact C-N 3.33Å; I216-A218 PolarHBondContact O-N 2.9Å; A218-E220 VanDerWaalsContact C-N 3.34Å; A218-E220 PolarHBondContact O-N 3.41Å; A218-D221 PolarHBondContact O-N 3.28Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CD1 3.5Å; A218-L222 WeakPolarHBondContact O-CG 3.36Å; A218-L222 PolarHBondContact O-N 3.44Å; A218-A253 HydrophobicContact CB-CB 4.31Å; A218-I256 HydrophobicContact CB-CB 3.98Å; A218-I256 HydrophobicContact CB-CG2 3.79Å
219V96.8Very high94.1Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-62.5-40.4175.6174.70000111.7W124 Y215 I216 K217 L222 T223 F318 N322W124-V219 HydrophobicContact CH2-CG1 3.98Å; W124-V219 HydrophobicContact CZ2-CB 4.38Å; W124-V219 HydrophobicContact CZ2-CG1 4.05Å; W124-V219 HydrophobicContact CZ2-CG2 3.94Å; Y215-V219 HydrophobicContact CD1-CG2 3.99Å; Y215-V219 HydrophobicContact CE1-CG2 3.45Å; Y215-V219 VanDerWaalsContact CE1-CG2 3.45Å; Y215-V219 HydrophobicContact CE2-CG2 4Å; Y215-V219 VanDerWaalsContact CZ-CG2 3.44Å; Y215-V219 WeakPolarHBondContact O-CG2 3.38Å; Y215-V219 PolarHBondContact O-N 2.93Å; I216-V219 WeakPolarHBondContact O-CB 3.17Å; I216-V219 PolarHBondContact O-N 2.91Å; I216-V219 VanDerWaalsContact O-N 3.13Å; K217-V219 PolarHBondContact O-N 3.16Å; V219-L222 PolarHBondContact O-N 3.39Å; V219-T223 HydrophobicContact CG1-CG2 4.21Å; V219-T223 WeakPolarHBondContact O-CB 3.33Å; V219-T223 WeakPolarHBondContact O-CG2 3.49Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 2.89Å; V219-F318 HydrophobicContact CG1-CD2 3.68Å; V219-F318 HydrophobicContact CG1-CE2 3.99Å; V219-N322 WeakPolarHBondContact CG1-ND2 3.24Å
220E95Very high94Very high60 Ų6038.6 Ų38.628%0.2819%0.194SC..Hα-helixtrans-62.5-44.2175.6-69.1-168.8144.700112.2I216 K217 A218 T223 H224 K495I216-E220 WeakPolarHBondContact O-CG 3.3Å; I216-E220 PolarHBondContact O-N 3.16Å; K217-E220 WeakPolarHBondContact O-CB 3.42Å; K217-E220 PolarHBondContact O-N 3.47Å; A218-E220 VanDerWaalsContact C-N 3.34Å; A218-E220 PolarHBondContact O-N 3.41Å; E220-T223 PolarHBondContact O-OG1 3.18Å; E220-H224 VanDerWaalsContact O-CB 3.27Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.01Å; E220-K495 IonicContact OE1-NZ 3.33Å; E220-K495 PolarHBondContact OE1-NZ 3.33Å
221D96.8Very high93.6Very high57 Ų5735 Ų3531%0.30518%0.175SC..Hα-helixtrans-66.3-45177.5-67.4-18.8000110.9K217 A218 H224 L225 A253K217-D221 IonicContact NZ-OD1 2.75Å; K217-D221 PolarHBondContact NZ-OD1 2.87Å; K217-D221 IonicContact NZ-OD2 2.65Å; K217-D221 PolarHBondContact O-N 2.82Å; A218-D221 PolarHBondContact O-N 3.28Å; D221-H224 PolarHBondContact O-N 3.06Å; D221-L225 VanDerWaalsContact O-CB 3.27Å; D221-L225 WeakPolarHBondContact O-CB 3.1Å; D221-L225 WeakPolarHBondContact O-CD1 3.4Å; D221-L225 WeakPolarHBondContact O-CG 3.26Å; D221-L225 PolarHBondContact O-N 3.21Å; D221-A253 HydrophobicContact CB-CB 4.46Å
222L97.9Very high93.5Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-59.2-49.7176.9-72.4163.5000111.8W124 A218 V219 H224 L225 I226 F250 A253 C254 A257W124-L222 HydrophobicContact CB-CD2 4.46Å; W124-L222 HydrophobicContact CD2-CB 4.19Å; W124-L222 HydrophobicContact CD2-CD1 3.68Å; W124-L222 HydrophobicContact CD2-CG 4.35Å; W124-L222 HydrophobicContact CE3-CB 3.98Å; W124-L222 HydrophobicContact CE3-CD1 4.35Å; W124-L222 HydrophobicContact CG-CD1 3.8Å; W124-L222 HydrophobicContact CG-CD2 4.4Å; W124-L222 HydrophobicContact CH2-CB 4.34Å; W124-L222 HydrophobicContact CZ2-CD1 4.15Å; W124-L222 HydrophobicContact CZ3-CB 4.06Å; A218-L222 WeakPolarHBondContact O-CB 3.49Å; A218-L222 WeakPolarHBondContact O-CD1 3.5Å; A218-L222 WeakPolarHBondContact O-CG 3.36Å; A218-L222 PolarHBondContact O-N 3.44Å; V219-L222 PolarHBondContact O-N 3.39Å; L222-H224 VanDerWaalsContact C-N 3.33Å; L222-H224 PolarHBondContact O-N 3.16Å; L222-L225 PolarHBondContact O-N 3.21Å; L222-I226 WeakPolarHBondContact O-CB 3.36Å; L222-I226 VanDerWaalsContact O-CG1 3.25Å; L222-I226 WeakPolarHBondContact O-CG1 3.41Å; L222-I226 PolarHBondContact O-N 3.44Å; L222-F250 HydrophobicContact CD2-CD2 3.53Å; L222-F250 HydrophobicContact CD2-CE2 3.5Å; L222-F250 VanDerWaalsContact CD2-CE2 3.5Å; L222-F250 HydrophobicContact CD2-CG 4.27Å; L222-F250 HydrophobicContact CD2-CZ 4.24Å; L222-F250 WeakPolarHBondContact CD2-O 3.47Å; L222-A253 HydrophobicContact CD1-CB 4.24Å; L222-A253 HydrophobicContact CD2-CB 3.83Å; L222-A253 HydrophobicContact CG-CB 3.69Å; L222-C254 VanDerWaalsContact CD2-SG 3.59Å; L222-A257 HydrophobicContact CD1-CB 4.13Å
223T95.6Very high93.1Very high5 Ų534.3 Ų34.33%0.03118%0.179CC..Hα-helixtrans-64.7-38.1179.656.20000111.9W124 V219 E220 Y227 F318 I492W124-T223 HydrophobicContact CH2-CG2 3.98Å; W124-T223 HydrophobicContact CZ3-CG2 4.12Å; V219-T223 HydrophobicContact CG1-CG2 4.21Å; V219-T223 WeakPolarHBondContact O-CB 3.33Å; V219-T223 WeakPolarHBondContact O-CG2 3.49Å; V219-T223 PolarHBondContact O-N 3.36Å; V219-T223 PolarHBondContact O-OG1 2.89Å; E220-T223 PolarHBondContact O-OG1 3.18Å; T223-Y227 WeakPolarHBondContact O-CB 3.29Å; T223-Y227 PolarHBondContact O-N 3.25Å; T223-Y227 VanDerWaalsContact O-N 3.09Å; T223-F318 HydrophobicContact CG2-CE2 3.54Å; T223-F318 HydrophobicContact CG2-CZ 3.76Å; T223-I492 HydrophobicContact CG2-CB 4.47Å
224H94.3Very high92.9Very high70 Ų7037.7 Ų37.732%0.32419%0.194SC..Hα-helixtrans-67.5-45175.3-178.549.9000112.5E220 D221 L222 Y227 L228E220-H224 VanDerWaalsContact O-CB 3.27Å; E220-H224 WeakPolarHBondContact O-CB 3.35Å; E220-H224 PolarHBondContact O-N 3.01Å; D221-H224 PolarHBondContact O-N 3.06Å; L222-H224 VanDerWaalsContact C-N 3.33Å; L222-H224 PolarHBondContact O-N 3.16Å; H224-Y227 WeakPolarHBondContact O-CB 3.42Å; H224-Y227 PolarHBondContact O-N 3.06Å; H224-L228 WeakPolarHBondContact O-CG 3.36Å; H224-L228 PolarHBondContact O-N 3.34Å
225L96.1Very high92.7Very high14 Ų1436.6 Ų36.67%0.07318%0.183CC..Hα-helixtrans-66.9-39.7-179.5-71.7165.8000111.8D221 L222 Y227 L228 R229 N246 F250D221-L225 VanDerWaalsContact O-CB 3.27Å; D221-L225 WeakPolarHBondContact O-CB 3.1Å; D221-L225 WeakPolarHBondContact O-CD1 3.4Å; D221-L225 WeakPolarHBondContact O-CG 3.26Å; D221-L225 PolarHBondContact O-N 3.21Å; L222-L225 PolarHBondContact O-N 3.21Å; L225-Y227 VanDerWaalsContact C-N 3.35Å; L225-L228 PolarHBondContact O-N 3.49Å; L225-R229 VanDerWaalsContact O-CB 3.24Å; L225-R229 WeakPolarHBondContact O-CB 3.39Å; L225-R229 PolarHBondContact O-N 3.26Å; L225-N246 HydrophobicContact CD2-CB 3.89Å; L225-F250 HydrophobicContact CB-CB 4.44Å; L225-F250 HydrophobicContact CB-CD2 4.2Å; L225-F250 HydrophobicContact CD1-CB 3.9Å
226I95.3Very high92.4Very high0 Ų038.4 Ų38.40%019%0.191CC..Hα-helixtrans-63.5-43.2172.9-66.9169.1000110.5F120 F121 W124 L222 L228 R229 V230 F250 I492F120-I226 HydrophobicContact CB-CG2 4.27Å; F121-I226 HydrophobicContact CD1-CD1 3.56Å; F121-I226 HydrophobicContact CD2-CD1 4.31Å; F121-I226 HydrophobicContact CD2-CG2 4.18Å; F121-I226 HydrophobicContact CE1-CD1 3.7Å; F121-I226 HydrophobicContact CE1-CG2 4.42Å; F121-I226 HydrophobicContact CE2-CD1 4.44Å; F121-I226 HydrophobicContact CE2-CG2 3.65Å; F121-I226 HydrophobicContact CG-CD1 3.88Å; F121-I226 HydrophobicContact CZ-CD1 4.15Å; F121-I226 HydrophobicContact CZ-CG2 3.8Å; W124-I226 HydrophobicContact CE3-CD1 3.92Å; W124-I226 HydrophobicContact CZ3-CD1 4.22Å; L222-I226 WeakPolarHBondContact O-CB 3.36Å; L222-I226 VanDerWaalsContact O-CG1 3.25Å; L222-I226 WeakPolarHBondContact O-CG1 3.41Å; L222-I226 PolarHBondContact O-N 3.44Å; I226-L228 VanDerWaalsContact C-N 3.34Å; I226-L228 PolarHBondContact O-N 3.35Å; I226-R229 WeakPolarHBondContact O-CB 3.5Å; I226-R229 PolarHBondContact O-N 2.65Å; I226-R229 VanDerWaalsContact O-N 3.16Å; I226-V230 HydrophobicContact CG2-CG2 4.37Å; I226-V230 WeakPolarHBondContact O-CG2 3.28Å; I226-V230 PolarHBondContact O-N 2.93Å; I226-F250 HydrophobicContact CD1-CE2 3.89Å; I226-F250 HydrophobicContact CG1-CD2 4.31Å; I226-F250 HydrophobicContact CG1-CE2 3.61Å; I226-F250 HydrophobicContact CG1-CZ 4.41Å; I226-I492 HydrophobicContact CG2-CD1 4.05Å
227Y91.5Very high92.2Very high25 Ų2541.7 Ų41.710%0.09821%0.209CC..Hα-helixtrans-56-47.6175.5164.8-96.2000111.8T223 H224 L225 S490 K491T223-Y227 WeakPolarHBondContact O-CB 3.29Å; T223-Y227 PolarHBondContact O-N 3.25Å; T223-Y227 VanDerWaalsContact O-N 3.09Å; H224-Y227 WeakPolarHBondContact O-CB 3.42Å; H224-Y227 PolarHBondContact O-N 3.06Å; L225-Y227 VanDerWaalsContact C-N 3.35Å; Y227-S490 WeakPolarHBondContact CE2-O 3.2Å; Y227-K491 HydrophobicContact CD2-CB 4.39Å; Y227-K491 HydrophobicContact CG-CB 4.47Å; Y227-K491 HydrophobicContact CG-CG 4.4Å
228L91.6Very high92.1Very high59 Ų5941 Ų4131%0.30921%0.21SC..Hα-helixtrans-63.8-41175.7-67.5178.9000111.9H224 L225 I226 R231 N232H224-L228 WeakPolarHBondContact O-CG 3.36Å; H224-L228 PolarHBondContact O-N 3.34Å; L225-L228 PolarHBondContact O-N 3.49Å; I226-L228 VanDerWaalsContact C-N 3.34Å; I226-L228 PolarHBondContact O-N 3.35Å; L228-R231 CarbonylContact O-C 3.48Å; L228-R231 PolarHBondContact O-N 3.5Å; L228-R231 VanDerWaalsContact O-N 3.16Å; L228-N232 PolarHBondContact O-N 3.41Å; L228-N232 VanDerWaalsContact O-N 3.1Å
229R92.7Very high91.9Very high1 Ų145.3 Ų45.30%0.00424%0.237CC..Hα-helixtrans-62.3-43.5-179-175.8175.1-170.9-169.7-5112.8F120 L225 I226 R231 N232 H235 N238 Y241F120-R229 VanDerWaalsContact CD1-CZ 3.49Å; F120-R229 HydrophobicContact CD2-CG 4.28Å; F120-R229 HydrophobicContact CE2-CG 4.44Å; F120-R229 HydrophobicContact CG-CG 4.37Å; L225-R229 VanDerWaalsContact O-CB 3.24Å; L225-R229 WeakPolarHBondContact O-CB 3.39Å; L225-R229 PolarHBondContact O-N 3.26Å; I226-R229 WeakPolarHBondContact O-CB 3.5Å; I226-R229 PolarHBondContact O-N 2.65Å; I226-R229 VanDerWaalsContact O-N 3.16Å; R229-R231 PolarHBondContact O-N 2.98Å; R229-N232 PolarHBondContact O-N 2.98Å; R229-H235 HydrophobicContact CG-CB 4.13Å; R229-H235 WeakPolarHBondContact CG-O 3.26Å; R229-H235 PolarHBondContact NE-O 3.42Å; R229-N238 PolarHBondContact NH2-OD1 3.2Å; R229-Y241 HydrophobicContact CB-CE2 4.21Å; R229-Y241 HydrophobicContact CG-CD2 4.27Å; R229-Y241 HydrophobicContact CG-CE2 4.06Å; R229-Y241 VanDerWaalsContact CZ-CD1 3.45Å
230V88.7Confident91.8Very high54 Ų5449.1 Ų49.133%0.32726%0.256SS..Hα-helixtrans-58.3-34176.7170.90000111.3F120 I226 Q236F120-V230 HydrophobicContact CD2-CG2 3.71Å; F120-V230 HydrophobicContact CE2-CG2 3.94Å; I226-V230 HydrophobicContact CG2-CG2 4.37Å; I226-V230 WeakPolarHBondContact O-CG2 3.28Å; I226-V230 PolarHBondContact O-N 2.93Å; V230-Q236 PolarHBondContact O-NE2 2.93Å
231R81.7Confident91.9Very high41 Ų4146.3 Ų46.316%0.15524%0.243CC..Hα-helixtrans-90.5-6.9-177-61.6178.271.6105.9-9.8114.2T64 K66 W89 L228 R229T64-R231 PolarHBondContact O-NE 3.24Å; T64-R231 VanDerWaalsContact O-NE 3.16Å; T64-R231 PolarHBondContact O-NH2 3.36Å; K66-R231 VanDerWaalsContact C-NH2 3.25Å; K66-R231 PolarHBondContact O-NH2 2.92Å; W89-R231 VanDerWaalsContact CZ2-O 3.24Å; W89-R231 WeakPolarHBondContact CZ2-O 3.39Å; L228-R231 CarbonylContact O-C 3.48Å; L228-R231 PolarHBondContact O-N 3.5Å; L228-R231 VanDerWaalsContact O-N 3.16Å; R229-R231 PolarHBondContact O-N 2.98Å
232N86.1Confident91.8Very high49 Ų4946 Ų4626%0.26225%0.245SC..  trans-111.7108.7179178.9-32000109.5L228 R229 F234 H235 Q236L228-N232 PolarHBondContact O-N 3.41Å; L228-N232 VanDerWaalsContact O-N 3.1Å; R229-N232 PolarHBondContact O-N 2.98Å; N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.44Å; N232-F234 WeakPolarHBondContact OD1-CB 3.49Å; N232-F234 PolarHBondContact OD1-N 2.85Å; N232-H235 HydrophobicContact CB-CB 3.94Å; N232-H235 PolarHBondContact ND2-ND1 2.94Å; N232-H235 PolarHBondContact O-N 3.48Å; N232-H235 VanDerWaalsContact O-N 3.11Å; N232-H235 PolarHBondContact OD1-N 2.91Å; N232-H235 VanDerWaalsContact OD1-N 3.13Å; N232-Q236 WeakPolarHBondContact O-CG 3.49Å; N232-Q236 PolarHBondContact O-N 2.74Å
233G83.1Confident91.7Very high31 Ų3152 Ų5232%0.3228%0.276SS..THydrogen-bonded Turntrans-56.1-36.8-177.400000114.2Q236G233-Q236 PolarHBondContact O-N 3.5Å
234F88Confident91.7Very high151 Ų15152.7 Ų52.766%0.66228%0.282SS*.G310 helixtrans-68.9-41.6177.3-61-75.1000111.8N232 Q236 N237 I240N232-F234 VanDerWaalsContact C-N 3.27Å; N232-F234 PolarHBondContact O-N 3.44Å; N232-F234 WeakPolarHBondContact OD1-CB 3.49Å; N232-F234 PolarHBondContact OD1-N 2.85Å; F234-Q236 PolarHBondContact O-N 3.19Å; F234-N237 PolarHBondContact O-N 3.03Å; F234-I240 HydrophobicContact CB-CG2 4.42Å
235H91.7Very high91.8Very high30 Ų3052.7 Ų52.714%0.13929%0.289CS..G310 helixtrans-72.3-9.1179.7-69.5-170.9000113.5R229 N232 N237 Y241R229-H235 HydrophobicContact CG-CB 4.13Å; R229-H235 WeakPolarHBondContact CG-O 3.26Å; R229-H235 PolarHBondContact NE-O 3.42Å; N232-H235 HydrophobicContact CB-CB 3.94Å; N232-H235 PolarHBondContact ND2-ND1 2.94Å; N232-H235 PolarHBondContact O-N 3.48Å; N232-H235 VanDerWaalsContact O-N 3.11Å; N232-H235 PolarHBondContact OD1-N 2.91Å; N232-H235 VanDerWaalsContact OD1-N 3.13Å; H235-N237 PolarHBondContact O-N 3.42Å; H235-Y241 HydrophobicContact CB-CD2 3.63Å; H235-Y241 HydrophobicContact CB-CE2 4.2Å; H235-Y241 AromaticContact CG-CD2 3.8Å; H235-Y241 WeakPolarHBondContact O-CB 3.45Å
236Q89.8Confident91.9Very high39 Ų3954.4 Ų54.418%0.18230%0.298CS..G310 helixtrans-68.7-27.4170.9-62.8-171.914.900111.6F120 V230 N232 G233 F234F120-Q236 HydrophobicContact CE1-CB 4.46Å; F120-Q236 HydrophobicContact CE2-CG 4.29Å; F120-Q236 HydrophobicContact CZ-CB 3.88Å; F120-Q236 HydrophobicContact CZ-CG 3.78Å; V230-Q236 PolarHBondContact O-NE2 2.93Å; N232-Q236 WeakPolarHBondContact O-CG 3.49Å; N232-Q236 PolarHBondContact O-N 2.74Å; G233-Q236 PolarHBondContact O-N 3.5Å; F234-Q236 PolarHBondContact O-N 3.19Å
237N90.9Very high92Very high78 Ų7854.4 Ų54.442%0.41730%0.298SS..SBendtrans-73.7126.1172-178.6-72.1000110.4F234 H235 T239 I240 Y241F234-N237 PolarHBondContact O-N 3.03Å; H235-N237 PolarHBondContact O-N 3.42Å; N237-T239 PolarHBondContact O-N 2.91Å; N237-T239 WeakPolarHBondContact OD1-CA 3.41Å; N237-T239 WeakPolarHBondContact OD1-CB 3.1Å; N237-T239 PolarHBondContact OD1-N 2.89Å; N237-I240 HydrophobicContact CB-CB 4.22Å; N237-I240 HydrophobicContact CB-CD1 4.01Å; N237-I240 HydrophobicContact CB-CG1 4.15Å; N237-I240 PolarHBondContact OD1-N 3.27Å; N237-Y241 VanDerWaalsContact O-CB 3.24Å; N237-Y241 WeakPolarHBondContact O-CB 3.49Å; N237-Y241 PolarHBondContact O-N 3.34Å
238N93.5Very high92.3Very high94 Ų9460.2 Ų60.250%0.50332%0.32SS..Hα-helixtrans-62.1-39.7-176.9-73.8-24.7000113.3R229 Y241 S242R229-N238 PolarHBondContact NH2-OD1 3.2Å; N238-Y241 PolarHBondContact O-N 3.33Å; N238-S242 WeakPolarHBondContact O-CB 3.27Å; N238-S242 PolarHBondContact O-N 2.88Å; N238-S242 PolarHBondContact O-OG 2.85Å
239T93.5Very high92.6Very high94 Ų9460.6 Ų60.658%0.57733%0.328SS*.Hα-helixtrans-69.2-45.4-178.3-50.60000111.3N237 Y241 S242 L243N237-T239 PolarHBondContact O-N 2.91Å; N237-T239 WeakPolarHBondContact OD1-CA 3.41Å; N237-T239 WeakPolarHBondContact OD1-CB 3.1Å; N237-T239 PolarHBondContact OD1-N 2.89Å; T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 PolarHBondContact O-N 3.06Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-S242 VanDerWaalsContact O-OG 3.07Å; T239-L243 HydrophobicContact CG2-CD1 4.48Å; T239-L243 VanDerWaalsContact O-CG 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.47Å; T239-L243 PolarHBondContact O-N 2.97Å
240I94.3Very high92.9Very high80 Ų8060.5 Ų60.541%0.4133%0.327SS..Hα-helixtrans-63.7-42.4175.4-61.4176.3000109.8F234 N237 L243 S244F234-I240 HydrophobicContact CB-CG2 4.42Å; N237-I240 HydrophobicContact CB-CB 4.22Å; N237-I240 HydrophobicContact CB-CD1 4.01Å; N237-I240 HydrophobicContact CB-CG1 4.15Å; N237-I240 PolarHBondContact OD1-N 3.27Å; I240-L243 PolarHBondContact O-N 3Å; I240-S244 PolarHBondContact O-N 3.04Å
241Y96.2Very high93.4Very high1 Ų161.8 Ų61.80%0.00433%0.327CS..Hα-helixtrans-63.6-48.5-179.1-170.5-114.1000112.1R229 H235 N237 N238 T239 L243 S244 N246 G247 F250R229-Y241 HydrophobicContact CB-CE2 4.21Å; R229-Y241 HydrophobicContact CG-CD2 4.27Å; R229-Y241 HydrophobicContact CG-CE2 4.06Å; R229-Y241 VanDerWaalsContact CZ-CD1 3.45Å; H235-Y241 HydrophobicContact CB-CD2 3.63Å; H235-Y241 HydrophobicContact CB-CE2 4.2Å; H235-Y241 AromaticContact CG-CD2 3.8Å; H235-Y241 WeakPolarHBondContact O-CB 3.45Å; N237-Y241 VanDerWaalsContact O-CB 3.24Å; N237-Y241 WeakPolarHBondContact O-CB 3.49Å; N237-Y241 PolarHBondContact O-N 3.34Å; N238-Y241 PolarHBondContact O-N 3.33Å; T239-Y241 VanDerWaalsContact C-N 3.3Å; T239-Y241 PolarHBondContact O-N 3.06Å; Y241-L243 PolarHBondContact O-N 3.07Å; Y241-S244 WeakPolarHBondContact O-CB 3.44Å; Y241-S244 PolarHBondContact O-N 3.09Å; Y241-S244 PolarHBondContact O-OG 3.14Å; Y241-N246 HydrophobicContact CE2-CB 4.11Å; Y241-G247 VanDerWaalsContact O-CA 3.24Å; Y241-G247 WeakPolarHBondContact O-CA 3.38Å; Y241-F250 HydrophobicContact CE1-CB 4Å; Y241-F250 AromaticContact CE1-CD1 3.87Å; Y241-F250 HydrophobicContact CE1-CD1 3.87Å; Y241-F250 AromaticContact CE1-CG 3.95Å; Y241-F250 HydrophobicContact CE1-CG 3.95Å; Y241-F250 WeakPolarHBondContact OH-CB 3.43Å
242S95.4Very high94.2Very high49 Ų4965 Ų6534%0.34334%0.344SS..Hα-helixtrans-61.2-28.3-178.763.20000113.5N238 T239N238-S242 WeakPolarHBondContact O-CB 3.27Å; N238-S242 PolarHBondContact O-N 2.88Å; N238-S242 PolarHBondContact O-OG 2.85Å; T239-S242 PolarHBondContact O-OG 2.98Å; T239-S242 VanDerWaalsContact O-OG 3.07Å
243L95.3Very high94.7Very high127 Ų12762.9 Ų62.967%0.66533%0.333SS*.Hα-helixtrans-81.7-16.7175.9-63.3173.4000113.6T239 I240 Y241 R248T239-L243 HydrophobicContact CG2-CD1 4.48Å; T239-L243 VanDerWaalsContact O-CG 3.31Å; T239-L243 WeakPolarHBondContact O-CG 3.47Å; T239-L243 PolarHBondContact O-N 2.97Å; I240-L243 PolarHBondContact O-N 3Å; Y241-L243 PolarHBondContact O-N 3.07Å; L243-R248 PolarHBondContact O-NH1 3.21Å
244S96.7Very high95.5Very high20 Ų2061.6 Ų61.614%0.1432%0.319CS..SBendtrans-77.3159.1179.376.50000112.8I240 Y241 N246 G247 R248I240-S244 PolarHBondContact O-N 3.04Å; Y241-S244 WeakPolarHBondContact O-CB 3.44Å; Y241-S244 PolarHBondContact O-N 3.09Å; Y241-S244 PolarHBondContact O-OG 3.14Å; S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 2.95Å; S244-G247 PolarHBondContact O-N 3.1Å; S244-G247 PolarHBondContact OG-N 3.1Å; S244-R248 PolarHBondContact O-N 3.46Å
245S96.7Very high96Very high70 Ų7060.3 Ų60.349%0.4932%0.315SS..Hα-helixtrans-58.2-45.5171.651.60000111.7G247 R248 S249S245-G247 VanDerWaalsContact C-N 3.29Å; S245-G247 PolarHBondContact O-N 3.29Å; S245-R248 PolarHBondContact O-N 3.16Å; S245-S249 PolarHBondContact O-N 3.21Å; S245-S249 PolarHBondContact O-OG 2.7Å
246N97.1Very high96.3Very high49 Ų4961.6 Ų61.626%0.26232%0.322SS..Hα-helixtrans-59.6-39.7177.3-722.7000112.1L225 Y241 S244 F250L225-N246 HydrophobicContact CD2-CB 3.89Å; Y241-N246 HydrophobicContact CE2-CB 4.11Å; S244-N246 VanDerWaalsContact C-N 3.33Å; S244-N246 PolarHBondContact O-N 2.95Å; N246-F250 VanDerWaalsContact O-CB 3.26Å; N246-F250 WeakPolarHBondContact O-CB 3.38Å; N246-F250 PolarHBondContact O-N 3.12Å
247G97.7Very high96.6Very high0 Ų059.8 Ų59.80%031%0.314CS..Hα-helixtrans-65.3-45.5175.500000112.8Y241 S244 S245 S249 F250 Y251Y241-G247 VanDerWaalsContact O-CA 3.24Å; Y241-G247 WeakPolarHBondContact O-CA 3.38Å; S244-G247 PolarHBondContact O-N 3.1Å; S244-G247 PolarHBondContact OG-N 3.1Å; S245-G247 VanDerWaalsContact C-N 3.29Å; S245-G247 PolarHBondContact O-N 3.29Å; G247-S249 PolarHBondContact O-N 3.15Å; G247-F250 WeakPolarHBondContact O-CB 3.35Å; G247-F250 PolarHBondContact O-N 3.21Å; G247-Y251 WeakPolarHBondContact O-CD2 3.41Å; G247-Y251 PolarHBondContact O-N 2.93Å
248R97.9Very high97Very high148 Ų14857.6 Ų57.656%0.55830%0.301SS*.Hα-helixtrans-58.7-47.2175.4-71.4-168.7-66-824.5111.9L243 S244 S245 F250 Y251 H252L243-R248 PolarHBondContact O-NH1 3.21Å; S244-R248 PolarHBondContact O-N 3.46Å; S245-R248 PolarHBondContact O-N 3.16Å; R248-F250 VanDerWaalsContact C-N 3.3Å; R248-F250 PolarHBondContact O-N 3.38Å; R248-Y251 PolarHBondContact O-N 3.25Å; R248-H252 WeakPolarHBondContact O-CB 3.22Å; R248-H252 PolarHBondContact O-N 3.27Å
249S98.3Very high97.1Very high66 Ų6660.6 Ų60.646%0.46231%0.309SS..Hα-helixtrans-61.1-39.4175.8-590000112.1S245 G247 H252 A253S245-S249 PolarHBondContact O-N 3.21Å; S245-S249 PolarHBondContact O-OG 2.7Å; G247-S249 PolarHBondContact O-N 3.15Å; S249-H252 PolarHBondContact O-N 3.33Å; S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.16Å
250F98.5Very high97.2Very high0 Ų056.5 Ų56.50%028%0.284CS..Hα-helixtrans-62.6-50.5177173.6-95.4000112F120 P123 L222 L225 I226 Y241 N246 G247 R248 H252 A253 C254F120-F250 WeakPolarHBondContact O-CZ 3.28Å; P123-F250 HydrophobicContact CB-CE1 3.98Å; P123-F250 HydrophobicContact CB-CZ 4.46Å; P123-F250 HydrophobicContact CG-CE1 4.19Å; L222-F250 HydrophobicContact CD2-CD2 3.53Å; L222-F250 HydrophobicContact CD2-CE2 3.5Å; L222-F250 VanDerWaalsContact CD2-CE2 3.5Å; L222-F250 HydrophobicContact CD2-CG 4.27Å; L222-F250 HydrophobicContact CD2-CZ 4.24Å; L222-F250 WeakPolarHBondContact CD2-O 3.47Å; L225-F250 HydrophobicContact CB-CB 4.44Å; L225-F250 HydrophobicContact CB-CD2 4.2Å; L225-F250 HydrophobicContact CD1-CB 3.9Å; I226-F250 HydrophobicContact CD1-CE2 3.89Å; I226-F250 HydrophobicContact CG1-CD2 4.31Å; I226-F250 HydrophobicContact CG1-CE2 3.61Å; I226-F250 HydrophobicContact CG1-CZ 4.41Å; Y241-F250 HydrophobicContact CE1-CB 4Å; Y241-F250 AromaticContact CE1-CD1 3.87Å; Y241-F250 HydrophobicContact CE1-CD1 3.87Å; Y241-F250 AromaticContact CE1-CG 3.95Å; Y241-F250 HydrophobicContact CE1-CG 3.95Å; Y241-F250 WeakPolarHBondContact OH-CB 3.43Å; N246-F250 VanDerWaalsContact O-CB 3.26Å; N246-F250 WeakPolarHBondContact O-CB 3.38Å; N246-F250 PolarHBondContact O-N 3.12Å; G247-F250 WeakPolarHBondContact O-CB 3.35Å; G247-F250 PolarHBondContact O-N 3.21Å; R248-F250 VanDerWaalsContact C-N 3.3Å; R248-F250 PolarHBondContact O-N 3.38Å; F250-H252 VanDerWaalsContact C-N 3.32Å; F250-H252 PolarHBondContact O-N 3.27Å; F250-A253 PolarHBondContact O-N 3.48Å; F250-C254 PolarHBondContact O-N 2.94Å; F250-C254 PolarHBondContact O-SG 2.75Å; F250-C254 VanDerWaalsContact O-SG 3.4Å
251Y98.2Very high97.2Very high80 Ų8052.7 Ų52.731%0.31426%0.264SS..Hα-helixtrans-66.9-33.3179.4-73.1-68.6000112.4P123 G247 R248 C254 Q255P123-Y251 HydrophobicContact CB-CE1 3.91Å; P123-Y251 HydrophobicContact CG-CE1 4.29Å; G247-Y251 WeakPolarHBondContact O-CD2 3.41Å; G247-Y251 PolarHBondContact O-N 2.93Å; R248-Y251 PolarHBondContact O-N 3.25Å; Y251-C254 WeakPolarHBondContact O-CB 3.35Å; Y251-C254 PolarHBondContact O-N 3.33Å; Y251-Q255 WeakPolarHBondContact O-CG 3.38Å; Y251-Q255 PolarHBondContact O-N 2.91Å; Y251-Q255 VanDerWaalsContact O-N 3.15Å
252H98.3Very high97.2Very high110 Ų11057.4 Ų57.451%0.50929%0.286SS..Hα-helixtrans-63.9-45.3171.7-178.359.1000111.9R248 S249 F250 C254 Q255 I256R248-H252 WeakPolarHBondContact O-CB 3.22Å; R248-H252 PolarHBondContact O-N 3.27Å; S249-H252 PolarHBondContact O-N 3.33Å; F250-H252 VanDerWaalsContact C-N 3.32Å; F250-H252 PolarHBondContact O-N 3.27Å; H252-C254 VanDerWaalsContact C-N 3.31Å; H252-C254 PolarHBondContact O-N 3.42Å; H252-Q255 WeakPolarHBondContact O-CB 3.45Å; H252-Q255 PolarHBondContact O-N 3.5Å; H252-Q255 VanDerWaalsContact O-N 3.14Å; H252-I256 PolarHBondContact O-N 3.44Å
253A98.4Very high97.2Very high4 Ų458 Ų583%0.03328%0.281CS..Hα-helixtrans-64-34.8175.800000112.2A218 D221 L222 S249 F250 Q255 I256 A257A218-A253 HydrophobicContact CB-CB 4.31Å; D221-A253 HydrophobicContact CB-CB 4.46Å; L222-A253 HydrophobicContact CD1-CB 4.24Å; L222-A253 HydrophobicContact CD2-CB 3.83Å; L222-A253 HydrophobicContact CG-CB 3.69Å; S249-A253 WeakPolarHBondContact O-CB 3.45Å; S249-A253 PolarHBondContact O-N 3.16Å; F250-A253 PolarHBondContact O-N 3.48Å; A253-Q255 VanDerWaalsContact C-N 3.34Å; A253-Q255 PolarHBondContact O-N 3.13Å; A253-I256 PolarHBondContact O-N 3.2Å; A253-A257 PolarHBondContact O-N 3.28Å
254C98.5Very high97.1Very high4 Ų452.1 Ų52.13%0.02725%0.25CS..Hα-helixtrans-58-45.2171-70.60000111.6L222 F250 Y251 H252 I256 A257 H258L222-C254 VanDerWaalsContact CD2-SG 3.59Å; F250-C254 PolarHBondContact O-N 2.94Å; F250-C254 PolarHBondContact O-SG 2.75Å; F250-C254 VanDerWaalsContact O-SG 3.4Å; Y251-C254 WeakPolarHBondContact O-CB 3.35Å; Y251-C254 PolarHBondContact O-N 3.33Å; H252-C254 VanDerWaalsContact C-N 3.31Å; H252-C254 PolarHBondContact O-N 3.42Å; C254-I256 VanDerWaalsContact C-N 3.31Å; C254-I256 PolarHBondContact O-N 3.48Å; C254-A257 PolarHBondContact O-N 3.4Å; C254-H258 WeakPolarHBondContact O-CB 3.49Å; C254-H258 PolarHBondContact O-N 2.83Å; C254-H258 PolarHBondContact O-ND1 2.89Å
255Q98.1Very high97Very high124 Ų12452 Ų5258%0.57925%0.248SC*.Hα-helixtrans-61-40.4179.4-69.2169.6-12.700112Y251 H252 A253 K259Y251-Q255 WeakPolarHBondContact O-CG 3.38Å; Y251-Q255 PolarHBondContact O-N 2.91Å; Y251-Q255 VanDerWaalsContact O-N 3.15Å; H252-Q255 WeakPolarHBondContact O-CB 3.45Å; H252-Q255 PolarHBondContact O-N 3.5Å; H252-Q255 VanDerWaalsContact O-N 3.14Å; A253-Q255 VanDerWaalsContact C-N 3.34Å; A253-Q255 PolarHBondContact O-N 3.13Å; Q255-K259 VanDerWaalsContact O-CB 3.27Å; Q255-K259 WeakPolarHBondContact O-CB 3.17Å; Q255-K259 PolarHBondContact O-N 2.84Å
256I98Very high96.9Very high57 Ų5758.1 Ų58.129%0.29226%0.26SS..Hα-helixtrans-62.6-46.1175.6-63.7170.4000110.2A218 H252 A253 C254 K259 H260A218-I256 HydrophobicContact CB-CB 3.98Å; A218-I256 HydrophobicContact CB-CG2 3.79Å; H252-I256 PolarHBondContact O-N 3.44Å; A253-I256 PolarHBondContact O-N 3.2Å; C254-I256 VanDerWaalsContact C-N 3.31Å; C254-I256 PolarHBondContact O-N 3.48Å; I256-K259 PolarHBondContact O-N 3.24Å; I256-H260 PolarHBondContact O-N 2.89Å
257A97.7Very high96.7Very high0 Ų059.3 Ų59.30%027%0.265CS..Hα-helixtrans-60.9-50.2178.100000111.9Y215 L222 A253 C254 K259 H260 T261Y215-A257 HydrophobicContact CD2-CB 4.29Å; Y215-A257 HydrophobicContact CE2-CB 3.89Å; L222-A257 HydrophobicContact CD1-CB 4.13Å; A253-A257 PolarHBondContact O-N 3.28Å; C254-A257 PolarHBondContact O-N 3.4Å; A257-K259 PolarHBondContact O-N 3.34Å; A257-H260 WeakPolarHBondContact O-CB 3.45Å; A257-H260 PolarHBondContact O-N 3.26Å; A257-H260 VanDerWaalsContact O-N 3.14Å; A257-T261 PolarHBondContact O-N 2.9Å; A257-T261 VanDerWaalsContact O-N 3.09Å; A257-T261 PolarHBondContact O-OG1 3.48Å
258H97.7Very high96.5Very high32 Ų3259.7 Ų59.715%0.14827%0.267CS..Hα-helixtrans-60.2-44.5179-64158.2000112.2P123 W124 C254 H260 T261 E262 R310 D314P123-H258 PolarHBondContact O-CE1 3.27Å; P123-H258 PolarHBondContact O-NE2 3.23Å; W124-H258 PolarHBondContact O-NE2 3.42Å; C254-H258 WeakPolarHBondContact O-CB 3.49Å; C254-H258 PolarHBondContact O-N 2.83Å; C254-H258 PolarHBondContact O-ND1 2.89Å; H258-H260 PolarHBondContact O-N 3.38Å; H258-T261 PolarHBondContact O-N 2.81Å; H258-T261 VanDerWaalsContact O-N 3.13Å; H258-E262 WeakPolarHBondContact O-CB 3.31Å; H258-E262 VanDerWaalsContact O-CG 3.28Å; H258-E262 WeakPolarHBondContact O-CG 3.25Å; H258-E262 PolarHBondContact O-N 2.65Å; H258-R310 PolarHBondContact CD2-NH1 2.83Å; H258-R310 PolarHBondContact NE2-NH1 3.02Å; H258-D314 IonicContact CD2-OD2 2.87Å; H258-D314 PolarHBondContact CD2-OD2 2.92Å; H258-D314 VanDerWaalsContact CD2-OD2 3.29Å; H258-D314 IonicContact NE2-OD2 3.79Å
259K96.8Very high96.3Very high157 Ų15756.7 Ų56.768%0.68326%0.257SS*.Hα-helixtrans-58.5-37.5177.1-175.1179.2179.8-177.40111.8Q255 I256 A257 R263Q255-K259 VanDerWaalsContact O-CB 3.27Å; Q255-K259 WeakPolarHBondContact O-CB 3.17Å; Q255-K259 PolarHBondContact O-N 2.84Å; I256-K259 PolarHBondContact O-N 3.24Å; A257-K259 PolarHBondContact O-N 3.34Å; K259-R263 VanDerWaalsContact O-CB 3.28Å; K259-R263 WeakPolarHBondContact O-CB 3.06Å; K259-R263 PolarHBondContact O-N 3.5Å; K259-R263 VanDerWaalsContact O-N 3.13Å
260H95Very high96Very high8 Ų856 Ų564%0.03726%0.256CS..Hα-helixtrans-66.3-49175.4-169.2103.5000111.1M196 N211 Y215 I256 A257 H258 R263 V264 M317M196-H260 WeakPolarHBondContact CE-NE2 3.5Å; N211-H260 PolarHBondContact O-ND1 2.9Å; Y215-H260 HydrophobicContact CD2-CB 3.7Å; Y215-H260 AromaticContact CD2-CG 3.9Å; Y215-H260 HydrophobicContact CG-CB 4.31Å; I256-H260 PolarHBondContact O-N 2.89Å; A257-H260 WeakPolarHBondContact O-CB 3.45Å; A257-H260 PolarHBondContact O-N 3.26Å; A257-H260 VanDerWaalsContact O-N 3.14Å; H258-H260 PolarHBondContact O-N 3.38Å; H260-R263 PolarHBondContact CE1-NH2 3.44Å; H260-R263 WeakPolarHBondContact O-CB 2.97Å; H260-R263 PolarHBondContact O-N 3.39Å; H260-V264 WeakPolarHBondContact O-CG2 3.31Å; H260-V264 PolarHBondContact O-N 3.38Å; H260-V264 VanDerWaalsContact O-N 3.14Å; H260-M317 HydrophobicContact CB-CE 4.37Å; H260-M317 VanDerWaalsContact CD2-CE 3.48Å; H260-M317 WeakPolarHBondContact CD2-CE 3.21Å
261T95.3Very high95.7Very high0 Ų058 Ų580%027%0.265CS..Hα-helixtrans-61.3-48.5179.6-55.70000112.2A257 H258 R263 V264 I265 R310 M313 D314 M317A257-T261 PolarHBondContact O-N 2.9Å; A257-T261 VanDerWaalsContact O-N 3.09Å; A257-T261 PolarHBondContact O-OG1 3.48Å; H258-T261 PolarHBondContact O-N 2.81Å; H258-T261 VanDerWaalsContact O-N 3.13Å; T261-R263 VanDerWaalsContact C-N 3.28Å; T261-R263 PolarHBondContact O-N 2.92Å; T261-V264 PolarHBondContact O-N 2.87Å; T261-V264 VanDerWaalsContact O-N 3.09Å; T261-I265 HydrophobicContact CG2-CD1 4.08Å; T261-I265 WeakPolarHBondContact O-CG1 3.44Å; T261-I265 PolarHBondContact O-N 3.45Å; T261-R310 HydrophobicContact CG2-CG 4.23Å; T261-M313 HydrophobicContact CG2-CB 3.54Å; T261-M313 HydrophobicContact CG2-CE 4.36Å; T261-M313 HydrophobicContact CG2-SD 4.31Å; T261-D314 WeakPolarHBondContact CB-OD1 3.29Å; T261-D314 WeakPolarHBondContact CG2-OD1 3.49Å; T261-D314 PolarHBondContact OG1-OD1 3.34Å; T261-M317 WeakPolarHBondContact OG1-CE 3.47Å
262E95.5Very high95.3Very high100 Ų10055.1 Ų55.147%0.46726%0.255SS..Hα-helixtrans-60.8-38.1178.8-71.9169.2-174.400111.9H258 I265 R266H258-E262 WeakPolarHBondContact O-CB 3.31Å; H258-E262 VanDerWaalsContact O-CG 3.28Å; H258-E262 WeakPolarHBondContact O-CG 3.25Å; H258-E262 PolarHBondContact O-N 2.65Å; E262-I265 PolarHBondContact O-N 3.18Å; E262-R266 VanDerWaalsContact O-CB 3.31Å; E262-R266 WeakPolarHBondContact O-CB 3.24Å; E262-R266 PolarHBondContact O-N 2.87Å
263R94.5Very high95Very high62 Ų6257.8 Ų57.823%0.23427%0.268CS..Hα-helixtrans-60.1-47.5173-179.8-17067.698.6-6.4111.2Y202 E209 K259 H260 T261 R266 M267Y202-R263 PolarHBondContact OH-NH1 2.83Å; Y202-R263 PolarHBondContact OH-NH2 2.89Å; E209-R263 IonicContact OE2-NH2 3.77Å; K259-R263 VanDerWaalsContact O-CB 3.28Å; K259-R263 WeakPolarHBondContact O-CB 3.06Å; K259-R263 PolarHBondContact O-N 3.5Å; K259-R263 VanDerWaalsContact O-N 3.13Å; H260-R263 PolarHBondContact CE1-NH2 3.44Å; H260-R263 WeakPolarHBondContact O-CB 2.97Å; H260-R263 PolarHBondContact O-N 3.39Å; T261-R263 VanDerWaalsContact C-N 3.28Å; T261-R263 PolarHBondContact O-N 2.92Å; R263-R266 PolarHBondContact O-N 3.21Å; R263-M267 HydrophobicContact CG-SD 4Å; R263-M267 PolarHBondContact NH1-SD 2.97Å; R263-M267 VanDerWaalsContact NH1-SD 3.35Å; R263-M267 WeakPolarHBondContact O-CB 3.3Å; R263-M267 VanDerWaalsContact O-CG 3.27Å; R263-M267 WeakPolarHBondContact O-CG 3.41Å; R263-M267 PolarHBondContact O-N 3.44Å
264V93.9Very high94.6Very high3 Ų361.9 Ų61.92%0.01829%0.289CS..Hα-helixtrans-63.1-44.4179.5176.60000110.8M196 F200 Y202 H260 T261 R266 M267 R268 L290 M313M196-V264 HydrophobicContact CE-CG2 3.74Å; F200-V264 HydrophobicContact CB-CG1 4.12Å; F200-V264 HydrophobicContact CD2-CG1 4.45Å; Y202-V264 HydrophobicContact CE2-CG2 4.47Å; H260-V264 WeakPolarHBondContact O-CG2 3.31Å; H260-V264 PolarHBondContact O-N 3.38Å; H260-V264 VanDerWaalsContact O-N 3.14Å; T261-V264 PolarHBondContact O-N 2.87Å; T261-V264 VanDerWaalsContact O-N 3.09Å; V264-R266 VanDerWaalsContact C-N 3.35Å; V264-R266 PolarHBondContact O-N 3.28Å; V264-M267 PolarHBondContact O-N 3.5Å; V264-R268 PolarHBondContact O-N 2.67Å; V264-L290 HydrophobicContact CG1-CD2 4.46Å; V264-M313 HydrophobicContact CB-CE 4.38Å; V264-M313 HydrophobicContact CG1-CE 3.96Å
265I94.1Very high94.1Very high18 Ų1869.7 Ų69.79%0.09233%0.325CS..Hα-helixtrans-55.9-51174.3-68.2167.1000110.5T261 E262 M267 R268 K269 V309 R310 M313T261-I265 HydrophobicContact CG2-CD1 4.08Å; T261-I265 WeakPolarHBondContact O-CG1 3.44Å; T261-I265 PolarHBondContact O-N 3.45Å; E262-I265 PolarHBondContact O-N 3.18Å; I265-M267 PolarHBondContact O-N 3.4Å; I265-R268 PolarHBondContact O-N 3.02Å; I265-K269 HydrophobicContact CG2-CD 3.97Å; I265-K269 HydrophobicContact CG2-CG 4.29Å; I265-K269 WeakPolarHBondContact O-CB 3.44Å; I265-K269 WeakPolarHBondContact O-CG 3.36Å; I265-K269 PolarHBondContact O-N 2.9Å; I265-V309 HydrophobicContact CD1-CG1 4.35Å; I265-R310 HydrophobicContact CD1-CB 4.4Å; I265-M313 HydrophobicContact CB-SD 4.47Å; I265-M313 HydrophobicContact CD1-SD 3.57Å; I265-M313 VanDerWaalsContact CD1-SD 3.57Å; I265-M313 HydrophobicContact CG1-CE 4Å; I265-M313 HydrophobicContact CG1-SD 3.09Å; I265-M313 WeakPolarHBondContact CG1-SD 3.34Å
266R94.6Very high93.6Very high199 Ų19966.5 Ų66.575%0.75132%0.32SS*.Hα-helixtrans-62.1-43.1-177.9-177178.6174.9179.3-1.1111.6E262 R263 V264 K269 A270E262-R266 VanDerWaalsContact O-CB 3.31Å; E262-R266 WeakPolarHBondContact O-CB 3.24Å; E262-R266 PolarHBondContact O-N 2.87Å; R263-R266 PolarHBondContact O-N 3.21Å; V264-R266 VanDerWaalsContact C-N 3.35Å; V264-R266 PolarHBondContact O-N 3.28Å; R266-K269 PolarHBondContact O-N 2.93Å; R266-A270 WeakPolarHBondContact O-CB 3.02Å; R266-A270 PolarHBondContact O-N 3.38Å
267M93.8Very high93.1Very high73 Ų7365.8 Ų65.836%0.3632%0.316SS..Hα-helixtrans-60-46.8176.3-73.7173.866.800111.1Y202 R263 V264 I265 A270 Q271Y202-M267 HydrophobicContact CE2-CE 3.82Å; Y202-M267 HydrophobicContact CE2-SD 4.15Å; R263-M267 HydrophobicContact CG-SD 4Å; R263-M267 PolarHBondContact NH1-SD 2.97Å; R263-M267 VanDerWaalsContact NH1-SD 3.35Å; R263-M267 WeakPolarHBondContact O-CB 3.3Å; R263-M267 VanDerWaalsContact O-CG 3.27Å; R263-M267 WeakPolarHBondContact O-CG 3.41Å; R263-M267 PolarHBondContact O-N 3.44Å; V264-M267 PolarHBondContact O-N 3.5Å; I265-M267 PolarHBondContact O-N 3.4Å; M267-A270 PolarHBondContact O-N 3.2Å; M267-Q271 WeakPolarHBondContact O-CG 3.25Å; M267-Q271 PolarHBondContact O-N 3.14Å
268R93.6Very high92.5Very high9 Ų967.8 Ų67.83%0.03433%0.326CS..Hα-helixtrans-65.6-44.5178.9-174.664-177.7148.91.4112.3V264 I265 A270 Q271 L272 L290 D291 L294V264-R268 PolarHBondContact O-N 2.67Å; I265-R268 PolarHBondContact O-N 3.02Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 3.26Å; R268-Q271 PolarHBondContact O-N 2.95Å; R268-L272 HydrophobicContact CG-CD1 4.24Å; R268-L272 WeakPolarHBondContact O-CG 3.22Å; R268-L272 PolarHBondContact O-N 3.35Å; R268-L272 VanDerWaalsContact O-N 3.09Å; R268-L290 HydrophobicContact CB-CD2 3.64Å; R268-L290 HydrophobicContact CB-CG 4.5Å; R268-L290 HydrophobicContact CG-CD2 3.67Å; R268-L290 HydrophobicContact CG-CG 4.1Å; R268-D291 IonicContact CZ-OD1 3.19Å; R268-D291 VanDerWaalsContact CZ-OD1 3.28Å; R268-D291 IonicContact CZ-OD2 3.58Å; R268-D291 IonicContact NE-OD1 3.94Å; R268-D291 PolarHBondContact NE-OD1 3.42Å; R268-D291 VanDerWaalsContact NH2-CG 3.29Å; R268-D291 IonicContact NH2-OD1 2.91Å; R268-D291 PolarHBondContact NH2-OD1 2.84Å; R268-D291 IonicContact NH2-OD2 2.69Å; R268-D291 PolarHBondContact NH2-OD2 3.13Å; R268-L294 HydrophobicContact CG-CD1 3.9Å
269K92.6Very high92Very high84 Ų8470.1 Ų70.137%0.36534%0.337SS..Hα-helixtrans-57.8-40.9175.3-75.1-175.7178.1-179.10111.1I265 R266 L272 L294 D306I265-K269 HydrophobicContact CG2-CD 3.97Å; I265-K269 HydrophobicContact CG2-CG 4.29Å; I265-K269 WeakPolarHBondContact O-CB 3.44Å; I265-K269 WeakPolarHBondContact O-CG 3.36Å; I265-K269 PolarHBondContact O-N 2.9Å; R266-K269 PolarHBondContact O-N 2.93Å; K269-L272 PolarHBondContact O-N 3.37Å; K269-L294 HydrophobicContact CG-CD1 4.45Å; K269-L294 HydrophobicContact CG-CD2 4.16Å; K269-D306 IonicContact NZ-OD1 3.96Å; K269-D306 PolarHBondContact NZ-OD1 3.26Å
270A93.5Very high91.4Very high52 Ų5268.4 Ų68.443%0.4333%0.33SS..Hα-helixtrans-67.4-40.5176.700000112.9R266 M267 R268 L272 Q273R266-A270 WeakPolarHBondContact O-CB 3.02Å; R266-A270 PolarHBondContact O-N 3.38Å; M267-A270 PolarHBondContact O-N 3.2Å; R268-A270 VanDerWaalsContact C-N 3.28Å; R268-A270 PolarHBondContact O-N 3.26Å; A270-L272 VanDerWaalsContact C-N 3.3Å; A270-L272 PolarHBondContact O-N 2.65Å; A270-Q273 WeakPolarHBondContact O-CB 3.49Å; A270-Q273 PolarHBondContact O-N 3.44Å
271Q91.9Very high90.8Very high42 Ų4269.1 Ų69.120%0.19633%0.333CS..Hα-helixtrans-60-40.3175.1-73.3172-17.500112.1Q203 M267 R268 Q273 N274 E277Q203-Q271 VanDerWaalsContact OE1-NE2 3.15Å; M267-Q271 WeakPolarHBondContact O-CG 3.25Å; M267-Q271 PolarHBondContact O-N 3.14Å; R268-Q271 PolarHBondContact O-N 2.95Å; Q271-Q273 PolarHBondContact O-N 2.99Å; Q271-N274 WeakPolarHBondContact O-CB 3.43Å; Q271-N274 PolarHBondContact O-N 3.47Å; Q271-N274 VanDerWaalsContact O-N 3.1Å; Q271-E277 WeakPolarHBondContact O-CB 3.24Å
272L90.3Very high90.2Very high20 Ų2077.3 Ų77.311%0.10536%0.364CS..THydrogen-bonded Turntrans-71.1-7.9-180-70.7169000114.1R268 K269 A270 N274 F281 L294 F295R268-L272 HydrophobicContact CG-CD1 4.24Å; R268-L272 WeakPolarHBondContact O-CG 3.22Å; R268-L272 PolarHBondContact O-N 3.35Å; R268-L272 VanDerWaalsContact O-N 3.09Å; K269-L272 PolarHBondContact O-N 3.37Å; A270-L272 VanDerWaalsContact C-N 3.3Å; A270-L272 PolarHBondContact O-N 2.65Å; L272-N274 VanDerWaalsContact C-N 3.28Å; L272-F281 HydrophobicContact CD2-CB 4.16Å; L272-F281 HydrophobicContact CD2-CD2 4.35Å; L272-F281 HydrophobicContact CD2-CG 4.23Å; L272-L294 HydrophobicContact CD1-CD1 3.92Å; L272-F295 HydrophobicContact CD1-CE2 3.78Å; L272-F295 HydrophobicContact CD1-CZ 4.1Å
273Q90.7Very high89.7Confident166 Ų16679.7 Ų79.778%0.77637%0.372SS*.THydrogen-bonded Turntrans-75.6-19.2169.6-64.7179.3-2800112.3A270 Q271A270-Q273 WeakPolarHBondContact O-CB 3.49Å; A270-Q273 PolarHBondContact O-N 3.44Å; Q271-Q273 PolarHBondContact O-N 2.99Å
274N90.9Very high89.1Confident90 Ų9080.4 Ų80.448%0.48138%0.377SS..SBendtrans-77.8124.5175.5-175.7-50.5000110.2Q271 L272 A276 E277 L278Q271-N274 WeakPolarHBondContact O-CB 3.43Å; Q271-N274 PolarHBondContact O-N 3.47Å; Q271-N274 VanDerWaalsContact O-N 3.1Å; L272-N274 VanDerWaalsContact C-N 3.28Å; N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.86Å; N274-A276 WeakPolarHBondContact OD1-CB 3.38Å; N274-A276 PolarHBondContact OD1-N 3.1Å; N274-E277 HydrophobicContact CB-CB 4.28Å; N274-E277 HydrophobicContact CB-CG 4.36Å; N274-E277 PolarHBondContact O-N 2.62Å; N274-E277 VanDerWaalsContact O-N 3.12Å; N274-L278 PolarHBondContact O-N 3.5Å
275E87Confident88.5Confident168 Ų16889.6 Ų89.679%0.78542%0.417SS*.Hα-helixtrans-57.5-37.4-178.2-68.4-177.6173.200113.5L278 E279E275-L278 PolarHBondContact O-N 3.35Å; E275-E279 WeakPolarHBondContact O-CB 3.47Å; E275-E279 PolarHBondContact O-N 3.16Å
276A88.8Confident87.9Confident57 Ų5792.8 Ų92.847%0.47143%0.428SS..Hα-helixtrans-67.1-38.1178.800000111.8N274 K280N274-A276 VanDerWaalsContact C-N 3.29Å; N274-A276 PolarHBondContact O-N 2.86Å; N274-A276 WeakPolarHBondContact OD1-CB 3.38Å; N274-A276 PolarHBondContact OD1-N 3.1Å; A276-K280 WeakPolarHBondContact O-CG 3.39Å; A276-K280 PolarHBondContact O-N 3.19Å
277E86.8Confident87.6Confident42 Ų4285.3 Ų85.320%0.19640%0.402CS..Hα-helixtrans-72.6-37.7175.1-72.6-58.5125.700111.7Q271 N274 E279 K280 F281Q271-E277 WeakPolarHBondContact O-CB 3.24Å; N274-E277 HydrophobicContact CB-CB 4.28Å; N274-E277 HydrophobicContact CB-CG 4.36Å; N274-E277 PolarHBondContact O-N 2.62Å; N274-E277 VanDerWaalsContact O-N 3.12Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 2.97Å; E277-K280 PolarHBondContact O-N 2.75Å; E277-K280 WeakPolarHBondContact OE1-CD 3.44Å; E277-K280 IonicContact OE1-NZ 2.72Å; E277-K280 PolarHBondContact OE1-NZ 3.37Å; E277-F281 WeakPolarHBondContact O-CB 3.39Å; E277-F281 PolarHBondContact O-N 3.42Å
278L85.1Confident87.5Confident42 Ų4282.2 Ų82.222%0.2239%0.388CS..Hα-helixtrans-63.3-37.9173.9-173.462.6000111.7N274 E275 F281 R282N274-L278 PolarHBondContact O-N 3.5Å; E275-L278 PolarHBondContact O-N 3.35Å; L278-F281 HydrophobicContact CD1-CD1 4.09Å; L278-F281 WeakPolarHBondContact O-CB 3.28Å; L278-F281 PolarHBondContact O-N 3.31Å; L278-R282 VanDerWaalsContact O-CG 3.32Å; L278-R282 WeakPolarHBondContact O-CG 3.33Å; L278-R282 PolarHBondContact O-N 3.25Å
279E87.4Confident87.4Confident80 Ų8081.9 Ų81.937%0.37439%0.386SS..Hα-helixtrans-69.6-42.3176.5-175.763.2-172.500111.9E275 E277 F281 R282 K283E275-E279 WeakPolarHBondContact O-CB 3.47Å; E275-E279 PolarHBondContact O-N 3.16Å; E277-E279 VanDerWaalsContact C-N 3.3Å; E277-E279 PolarHBondContact O-N 2.97Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.09Å; E279-R282 PolarHBondContact O-N 2.81Å; E279-K283 HydrophobicContact CG-CD 4.44Å; E279-K283 WeakPolarHBondContact O-CG 3.49Å; E279-K283 PolarHBondContact O-N 2.99Å; E279-K283 WeakPolarHBondContact OE1-CE 3.33Å; E279-K283 IonicContact OE1-NZ 3.03Å; E279-K283 PolarHBondContact OE1-NZ 3.11Å
280K84.7Confident87.5Confident122 Ų12277.9 Ų77.953%0.5337%0.369SS..Hα-helixtrans-57.7-44.7170.6-74.1175.1-169.8170.10110.8A276 E277 K283 K284A276-K280 WeakPolarHBondContact O-CG 3.39Å; A276-K280 PolarHBondContact O-N 3.19Å; E277-K280 PolarHBondContact O-N 2.75Å; E277-K280 WeakPolarHBondContact OE1-CD 3.44Å; E277-K280 IonicContact OE1-NZ 2.72Å; E277-K280 PolarHBondContact OE1-NZ 3.37Å; K280-K283 PolarHBondContact O-N 3.09Å; K280-K284 WeakPolarHBondContact O-CG 3.34Å; K280-K284 PolarHBondContact O-N 3.31Å; K280-K284 VanDerWaalsContact O-N 3.16Å
281F82.7Confident87.5Confident23 Ų2375.4 Ų75.410%0.10135%0.348CS..Hα-helixtrans-58.7-49.1175.8164.8-91000111.8L272 E277 L278 E279 K283 K284 L287 D291 F295L272-F281 HydrophobicContact CD2-CB 4.16Å; L272-F281 HydrophobicContact CD2-CD2 4.35Å; L272-F281 HydrophobicContact CD2-CG 4.23Å; E277-F281 WeakPolarHBondContact O-CB 3.39Å; E277-F281 PolarHBondContact O-N 3.42Å; L278-F281 HydrophobicContact CD1-CD1 4.09Å; L278-F281 WeakPolarHBondContact O-CB 3.28Å; L278-F281 PolarHBondContact O-N 3.31Å; E279-F281 VanDerWaalsContact C-N 3.28Å; E279-F281 PolarHBondContact O-N 3.09Å; F281-K283 PolarHBondContact O-N 3.45Å; F281-K284 VanDerWaalsContact O-CB 3.31Å; F281-K284 WeakPolarHBondContact O-CB 3.21Å; F281-K284 PolarHBondContact O-N 3.45Å; F281-L287 HydrophobicContact CD2-CD2 3.72Å; F281-L287 HydrophobicContact CE2-CD1 3.78Å; F281-L287 HydrophobicContact CE2-CD2 3.34Å; F281-L287 HydrophobicContact CE2-CG 4.18Å; F281-L287 HydrophobicContact CZ-CD1 3.92Å; F281-L287 HydrophobicContact CZ-CD2 4Å; F281-D291 HydrophobicContact CD2-CB 4.37Å; F281-D291 HydrophobicContact CE2-CB 3.98Å; F281-F295 HydrophobicContact CD1-CZ 4.33Å; F281-F295 HydrophobicContact CD2-CE2 4.15Å; F281-F295 HydrophobicContact CE1-CD1 4.23Å; F281-F295 HydrophobicContact CE1-CD2 4.19Å; F281-F295 AromaticContact CE1-CE1 3.93Å; F281-F295 HydrophobicContact CE1-CE1 3.93Å; F281-F295 AromaticContact CE1-CE2 3.88Å; F281-F295 HydrophobicContact CE1-CE2 3.88Å; F281-F295 HydrophobicContact CE1-CG 4.35Å; F281-F295 AromaticContact CE1-CZ 3.74Å; F281-F295 HydrophobicContact CE1-CZ 3.74Å; F281-F295 AromaticContact CE2-CD2 3.52Å; F281-F295 HydrophobicContact CE2-CD2 3.52Å; F281-F295 AromaticContact CE2-CE2 3.41Å; F281-F295 HydrophobicContact CE2-CE2 3.41Å; F281-F295 VanDerWaalsContact CE2-CE2 3.41Å; F281-F295 HydrophobicContact CE2-CG 4.29Å; F281-F295 HydrophobicContact CE2-CZ 4.12Å; F281-F295 HydrophobicContact CZ-CB 4.38Å; F281-F295 AromaticContact CZ-CD1 3.93Å; F281-F295 HydrophobicContact CZ-CD1 3.93Å; F281-F295 AromaticContact CZ-CD2 3.26Å; F281-F295 HydrophobicContact CZ-CD2 3.26Å; F281-F295 AromaticContact CZ-CE1 3.95Å; F281-F295 HydrophobicContact CZ-CE1 3.95Å; F281-F295 AromaticContact CZ-CE2 3.28Å; F281-F295 HydrophobicContact CZ-CE2 3.28Å; F281-F295 AromaticContact CZ-CG 3.59Å; F281-F295 HydrophobicContact CZ-CG 3.59Å; F281-F295 AromaticContact CZ-CZ 3.64Å; F281-F295 HydrophobicContact CZ-CZ 3.64Å
282R82.9Confident87.5Confident172 Ų17274.3 Ų74.365%0.64934%0.344SS*.Hα-helixtrans-61.7-30.3178.5-74.4171.5179.4173.50.1113.1L278 E279L278-R282 VanDerWaalsContact O-CG 3.32Å; L278-R282 WeakPolarHBondContact O-CG 3.33Å; L278-R282 PolarHBondContact O-N 3.25Å; E279-R282 PolarHBondContact O-N 2.81Å
283K84.9Confident87.7Confident149 Ų14973.4 Ų73.465%0.64834%0.339SS*.Hα-helixtrans-79.9-14.5175.6-71.3175.5-178.8160.20113.6E279 K280 F281 K285E279-K283 HydrophobicContact CG-CD 4.44Å; E279-K283 WeakPolarHBondContact O-CG 3.49Å; E279-K283 PolarHBondContact O-N 2.99Å; E279-K283 WeakPolarHBondContact OE1-CE 3.33Å; E279-K283 IonicContact OE1-NZ 3.03Å; E279-K283 PolarHBondContact OE1-NZ 3.11Å; K280-K283 PolarHBondContact O-N 3.09Å; F281-K283 PolarHBondContact O-N 3.45Å; K283-K285 PolarHBondContact O-N 3.2Å; K283-K285 VanDerWaalsContact O-N 3.09Å
284K82.2Confident87.7Confident77 Ų7767.2 Ų67.234%0.33531%0.311SS..  trans-65.8113177.5-72.9-174.2-177.9178.30109K280 F281 R286 L287 D288 D291K280-K284 WeakPolarHBondContact O-CG 3.34Å; K280-K284 PolarHBondContact O-N 3.31Å; K280-K284 VanDerWaalsContact O-N 3.16Å; F281-K284 VanDerWaalsContact O-CB 3.31Å; F281-K284 WeakPolarHBondContact O-CB 3.21Å; F281-K284 PolarHBondContact O-N 3.45Å; K284-R286 PolarHBondContact O-N 3.47Å; K284-R286 VanDerWaalsContact O-N 3.15Å; K284-L287 HydrophobicContact CB-CD2 4.05Å; K284-L287 HydrophobicContact CD-CD2 4.21Å; K284-D288 IonicContact NZ-OD2 2.79Å; K284-D288 PolarHBondContact NZ-OD2 3.13Å; K284-D291 IonicContact NZ-OD2 3.75Å; K284-D291 PolarHBondContact NZ-OD2 3.11Å
285K79.3Confident87.6Confident197 Ų19767.2 Ų67.286%0.85731%0.307SS*.SBendtrans-58.1-27.1172.3-172.8174.8-177.8178.20112.5K283K283-K285 PolarHBondContact O-N 3.2Å; K283-K285 VanDerWaalsContact O-N 3.09Å
286R82.2Confident87.6Confident84 Ų8459.7 Ų59.732%0.31727%0.273SS..SBendtrans-144.3138.3178.3-62.1-173.2-175.1-110.67.6110.3H149 D151 I152 K284H149-R286 VanDerWaalsContact CB-NH1 3.32Å; H149-R286 PolarHBondContact CD2-NH1 3Å; H149-R286 VanDerWaalsContact CE1-CZ 3.48Å; H149-R286 PolarHBondContact CE1-NH2 2.94Å; H149-R286 VanDerWaalsContact CG-CZ 3.47Å; H149-R286 PolarHBondContact ND1-NH1 3.4Å; H149-R286 PolarHBondContact ND1-NH2 2.88Å; H149-R286 VanDerWaalsContact ND1-NH2 3.16Å; H149-R286 PolarHBondContact NE2-NH2 3.21Å; D151-R286 IonicContact OD2-CZ 3.99Å; D151-R286 IonicContact OD2-NE 3.58Å; D151-R286 PolarHBondContact OD2-NE 3.25Å; D151-R286 IonicContact OD2-NH2 2.74Å; D151-R286 PolarHBondContact OD2-NH2 3.22Å; I152-R286 HydrophobicContact CD1-CB 3.55Å; I152-R286 HydrophobicContact CD1-CG 4.34Å; I152-R286 HydrophobicContact CG1-CB 3.54Å; I152-R286 HydrophobicContact CG1-CG 4.11Å; K284-R286 PolarHBondContact O-N 3.47Å; K284-R286 VanDerWaalsContact O-N 3.15Å
287L88.1Confident87.3Confident42 Ų4263.4 Ų63.422%0.2228%0.281CS..  trans-93.6146.4-177.9-61-177000110.9I152 F281 K284 D291 I292I152-L287 WeakPolarHBondContact CD1-O 3.2Å; F281-L287 HydrophobicContact CD2-CD2 3.72Å; F281-L287 HydrophobicContact CE2-CD1 3.78Å; F281-L287 HydrophobicContact CE2-CD2 3.34Å; F281-L287 HydrophobicContact CE2-CG 4.18Å; F281-L287 HydrophobicContact CZ-CD1 3.92Å; F281-L287 HydrophobicContact CZ-CD2 4Å; K284-L287 HydrophobicContact CB-CD2 4.05Å; K284-L287 HydrophobicContact CD-CD2 4.21Å; L287-D291 HydrophobicContact CB-CB 3.9Å; L287-D291 HydrophobicContact CD1-CB 4.43Å; L287-D291 HydrophobicContact CD2-CB 4.24Å; L287-D291 HydrophobicContact CG-CB 4.4Å; L287-I292 HydrophobicContact CB-CG1 3.73Å
288D91.3Very high86.9Confident9 Ų963.8 Ų63.85%0.04829%0.286CS..  trans-71.6175.4166.961.454.1000111Y156 C198 S201 K284 L290 D291 I292Y156-D288 VanDerWaalsContact OH-CB 3.32Å; Y156-D288 WeakPolarHBondContact OH-CB 3.27Å; C198-D288 WeakPolarHBondContact O-CB 3.22Å; S201-D288 PolarHBondContact OG-OD2 2.99Å; K284-D288 IonicContact NZ-OD2 2.79Å; K284-D288 PolarHBondContact NZ-OD2 3.13Å; D288-L290 PolarHBondContact O-N 3.18Å; D288-L290 PolarHBondContact OD1-N 3.01Å; D288-D291 PolarHBondContact O-N 3.29Å; D288-D291 VanDerWaalsContact OD1-CB 3.29Å; D288-D291 WeakPolarHBondContact OD1-CB 3.2Å; D288-D291 PolarHBondContact OD1-N 3.16Å; D288-I292 VanDerWaalsContact O-CG1 3.29Å; D288-I292 WeakPolarHBondContact O-CG1 3.26Å; D288-I292 PolarHBondContact O-N 3.01Å
289F93.3Very high86.4Confident1 Ų166.6 Ų66.60%0.00430%0.298CS..Hα-helixtrans-59.7-47.2-173.5173.6-86.3000113.5L144 A147 F148 A199 F200 I292 L293 E312 M313 F316L144-F289 HydrophobicContact CD1-CE2 3.86Å; L144-F289 HydrophobicContact CD2-CD2 3.71Å; L144-F289 HydrophobicContact CD2-CE2 3.38Å; L144-F289 HydrophobicContact CD2-CZ 4.16Å; L144-F289 HydrophobicContact CG-CE2 4.09Å; A147-F289 HydrophobicContact CB-CB 4.08Å; F148-F289 HydrophobicContact CE2-CD2 4.36Å; A199-F289 HydrophobicContact CB-CB 3.98Å; A199-F289 WeakPolarHBondContact O-CB 3.43Å; A199-F289 PolarHBondContact O-N 3.04Å; F200-F289 AromaticContact CD1-CD1 3.91Å; F200-F289 HydrophobicContact CD1-CD1 3.91Å; F200-F289 AromaticContact CE1-CD1 3.46Å; F200-F289 HydrophobicContact CE1-CD1 3.46Å; F200-F289 VanDerWaalsContact CE1-CD1 3.46Å; F200-F289 AromaticContact CE1-CE1 3.75Å; F200-F289 HydrophobicContact CE1-CE1 3.75Å; F200-F289 HydrophobicContact CE1-CG 4.43Å; F289-I292 WeakPolarHBondContact O-CB 3.24Å; F289-I292 PolarHBondContact O-N 3.49Å; F289-L293 HydrophobicContact CD1-CD1 3.94Å; F289-L293 HydrophobicContact CD1-CG 4.43Å; F289-L293 HydrophobicContact CE1-CD1 3.24Å; F289-L293 HydrophobicContact CE1-CG 4.05Å; F289-L293 HydrophobicContact CZ-CD1 3.6Å; F289-L293 HydrophobicContact CZ-CG 4.2Å; F289-L293 PolarHBondContact O-N 2.67Å; F289-E312 HydrophobicContact CZ-CB 4.05Å; F289-M313 HydrophobicContact CE1-CG 4.3Å; F289-F316 AromaticContact CD2-CD1 3.85Å; F289-F316 HydrophobicContact CD2-CD1 3.85Å; F289-F316 HydrophobicContact CD2-CD2 4.33Å; F289-F316 AromaticContact CD2-CE1 3.92Å; F289-F316 HydrophobicContact CD2-CE1 3.92Å; F289-F316 HydrophobicContact CD2-CE2 4.37Å; F289-F316 HydrophobicContact CD2-CG 4.06Å; F289-F316 HydrophobicContact CD2-CZ 4.16Å; F289-F316 HydrophobicContact CE1-CB 3.98Å; F289-F316 HydrophobicContact CE1-CD2 4.21Å; F289-F316 HydrophobicContact CE1-CG 4.04Å; F289-F316 HydrophobicContact CE2-CB 4.2Å; F289-F316 AromaticContact CE2-CD1 3.56Å; F289-F316 HydrophobicContact CE2-CD1 3.56Å; F289-F316 AromaticContact CE2-CD2 3.27Å; F289-F316 HydrophobicContact CE2-CD2 3.27Å; F289-F316 AromaticContact CE2-CE1 3.62Å; F289-F316 HydrophobicContact CE2-CE1 3.62Å; F289-F316 AromaticContact CE2-CE2 3.31Å; F289-F316 HydrophobicContact CE2-CE2 3.31Å; F289-F316 AromaticContact CE2-CG 3.37Å; F289-F316 HydrophobicContact CE2-CG 3.37Å; F289-F316 AromaticContact CE2-CZ 3.48Å; F289-F316 HydrophobicContact CE2-CZ 3.48Å; F289-F316 VanDerWaalsContact CE2-CZ 3.48Å; F289-F316 HydrophobicContact CZ-CB 3.75Å; F289-F316 HydrophobicContact CZ-CD1 4.02Å; F289-F316 AromaticContact CZ-CD2 3.17Å; F289-F316 HydrophobicContact CZ-CD2 3.17Å; F289-F316 HydrophobicContact CZ-CE1 4.44Å; F289-F316 AromaticContact CZ-CE2 3.67Å; F289-F316 HydrophobicContact CZ-CE2 3.67Å; F289-F316 AromaticContact CZ-CG 3.34Å; F289-F316 HydrophobicContact CZ-CG 3.34Å; F289-F316 HydrophobicContact CZ-CZ 4.27Å
290L93.9Very high86.1Confident0 Ų069.3 Ų69.30%032%0.315CS..Hα-helixtrans-68.4-42.6-178.8178.751.8000111A199 F200 V264 R268 D288 I292 L293 L294 M313A199-L290 PolarHBondContact O-N 2.85Å; F200-L290 HydrophobicContact CB-CB 4.32Å; F200-L290 HydrophobicContact CB-CD2 4.05Å; F200-L290 HydrophobicContact CD1-CB 4.05Å; V264-L290 HydrophobicContact CG1-CD2 4.46Å; R268-L290 HydrophobicContact CB-CD2 3.64Å; R268-L290 HydrophobicContact CB-CG 4.5Å; R268-L290 HydrophobicContact CG-CD2 3.67Å; R268-L290 HydrophobicContact CG-CG 4.1Å; D288-L290 PolarHBondContact O-N 3.18Å; D288-L290 PolarHBondContact OD1-N 3.01Å; L290-I292 VanDerWaalsContact C-N 3.27Å; L290-I292 PolarHBondContact O-N 2.85Å; L290-L293 PolarHBondContact O-N 3.34Å; L290-L293 VanDerWaalsContact O-N 3.11Å; L290-L294 HydrophobicContact CD1-CD1 4.1Å; L290-L294 HydrophobicContact CD1-CD2 4.36Å; L290-L294 HydrophobicContact CD1-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.04Å; L290-L294 HydrophobicContact CG-CG 4.32Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 3.03Å; L290-M313 HydrophobicContact CD1-CE 3.96Å; L290-M313 HydrophobicContact CD1-CG 4.19Å; L290-M313 HydrophobicContact CD1-SD 3.34Å; L290-M313 WeakPolarHBondContact CD1-SD 3.24Å; L290-M313 HydrophobicContact CD2-CE 3.95Å; L290-M313 HydrophobicContact CD2-SD 4.36Å; L290-M313 HydrophobicContact CG-CE 4.5Å; L290-M313 HydrophobicContact CG-SD 4.44Å
291D92.8Very high85.9Confident0 Ų065.6 Ų65.60%031%0.311CS..Hα-helixtrans-59.6-39.2174.1-77.4-7.3000110.7R268 F281 K284 L287 D288 F295R268-D291 IonicContact CZ-OD1 3.19Å; R268-D291 VanDerWaalsContact CZ-OD1 3.28Å; R268-D291 IonicContact CZ-OD2 3.58Å; R268-D291 IonicContact NE-OD1 3.94Å; R268-D291 PolarHBondContact NE-OD1 3.42Å; R268-D291 VanDerWaalsContact NH2-CG 3.29Å; R268-D291 IonicContact NH2-OD1 2.91Å; R268-D291 PolarHBondContact NH2-OD1 2.84Å; R268-D291 IonicContact NH2-OD2 2.69Å; R268-D291 PolarHBondContact NH2-OD2 3.13Å; F281-D291 HydrophobicContact CD2-CB 4.37Å; F281-D291 HydrophobicContact CE2-CB 3.98Å; K284-D291 IonicContact NZ-OD2 3.75Å; K284-D291 PolarHBondContact NZ-OD2 3.11Å; L287-D291 HydrophobicContact CB-CB 3.9Å; L287-D291 HydrophobicContact CD1-CB 4.43Å; L287-D291 HydrophobicContact CD2-CB 4.24Å; L287-D291 HydrophobicContact CG-CB 4.4Å; D288-D291 PolarHBondContact O-N 3.29Å; D288-D291 VanDerWaalsContact OD1-CB 3.29Å; D288-D291 WeakPolarHBondContact OD1-CB 3.2Å; D288-D291 PolarHBondContact OD1-N 3.16Å; D291-F295 VanDerWaalsContact O-CD2 3.28Å; D291-F295 WeakPolarHBondContact O-CD2 3.44Å; D291-F295 PolarHBondContact O-N 3.48Å
292I92.9Very high86Confident19 Ų1971.4 Ų71.410%0.09734%0.337CS..Hα-helixtrans-60.5-48.3172.1-71.3177.6000111M143 L144 P146 A147 L287 D288 F289 L290 L294 F295 A296M143-I292 HydrophobicContact CG-CG2 4.02Å; L144-I292 HydrophobicContact CD2-CG2 4.33Å; P146-I292 HydrophobicContact CB-CD1 4.06Å; A147-I292 HydrophobicContact CB-CD1 3.77Å; L287-I292 HydrophobicContact CB-CG1 3.73Å; D288-I292 VanDerWaalsContact O-CG1 3.29Å; D288-I292 WeakPolarHBondContact O-CG1 3.26Å; D288-I292 PolarHBondContact O-N 3.01Å; F289-I292 WeakPolarHBondContact O-CB 3.24Å; F289-I292 PolarHBondContact O-N 3.49Å; L290-I292 VanDerWaalsContact C-N 3.27Å; L290-I292 PolarHBondContact O-N 2.85Å; I292-L294 PolarHBondContact O-N 3.11Å; I292-F295 PolarHBondContact O-N 3.46Å; I292-A296 WeakPolarHBondContact O-CA 3.36Å; I292-A296 WeakPolarHBondContact O-CB 3.47Å; I292-A296 PolarHBondContact O-N 3.12Å
293L93.4Very high86.3Confident2 Ų267.3 Ų67.31%0.0133%0.334CS..Hα-helixtrans-62.4-42.4-177.9-73.5180000113L144 F289 L290 F295 L304 V309 E312 M313L144-L293 HydrophobicContact CD2-CD2 3.79Å; L144-L293 HydrophobicContact CD2-CG 4.24Å; F289-L293 HydrophobicContact CD1-CD1 3.94Å; F289-L293 HydrophobicContact CD1-CG 4.43Å; F289-L293 HydrophobicContact CE1-CD1 3.24Å; F289-L293 HydrophobicContact CE1-CG 4.05Å; F289-L293 HydrophobicContact CZ-CD1 3.6Å; F289-L293 HydrophobicContact CZ-CG 4.2Å; F289-L293 PolarHBondContact O-N 2.67Å; L290-L293 PolarHBondContact O-N 3.34Å; L290-L293 VanDerWaalsContact O-N 3.11Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.25Å; L293-L304 HydrophobicContact CD2-CD1 3.72Å; L293-V309 HydrophobicContact CB-CG1 4.37Å; L293-V309 HydrophobicContact CD1-CG1 4.48Å; L293-E312 HydrophobicContact CD1-CB 3.72Å; L293-E312 HydrophobicContact CD2-CB 3.88Å; L293-E312 HydrophobicContact CD2-CG 4.09Å; L293-E312 HydrophobicContact CG-CB 4.46Å; L293-M313 HydrophobicContact CD1-CG 3.83Å
294L91.6Very high86.5Confident35 Ų3561 Ų6118%0.18331%0.308CS..Hα-helixtrans-68.1-29.2-177-69.1177.3000112.9R268 K269 L272 L290 I292 V309R268-L294 HydrophobicContact CG-CD1 3.9Å; K269-L294 HydrophobicContact CG-CD1 4.45Å; K269-L294 HydrophobicContact CG-CD2 4.16Å; L272-L294 HydrophobicContact CD1-CD1 3.92Å; L290-L294 HydrophobicContact CD1-CD1 4.1Å; L290-L294 HydrophobicContact CD1-CD2 4.36Å; L290-L294 HydrophobicContact CD1-CG 3.91Å; L290-L294 HydrophobicContact CG-CD1 4.04Å; L290-L294 HydrophobicContact CG-CG 4.32Å; L290-L294 WeakPolarHBondContact O-CG 3.33Å; L290-L294 PolarHBondContact O-N 3.03Å; I292-L294 PolarHBondContact O-N 3.11Å; L294-V309 HydrophobicContact CD2-CG1 4.46Å
295F88.6Confident87Confident91 Ų9159.6 Ų59.640%0.39931%0.307SS..Hα-helixtrans-110.82.9-178-65.5-87.1000113.2L272 F281 D291 I292 L293L272-F295 HydrophobicContact CD1-CE2 3.78Å; L272-F295 HydrophobicContact CD1-CZ 4.1Å; F281-F295 HydrophobicContact CD1-CZ 4.33Å; F281-F295 HydrophobicContact CD2-CE2 4.15Å; F281-F295 HydrophobicContact CE1-CD1 4.23Å; F281-F295 HydrophobicContact CE1-CD2 4.19Å; F281-F295 AromaticContact CE1-CE1 3.93Å; F281-F295 HydrophobicContact CE1-CE1 3.93Å; F281-F295 AromaticContact CE1-CE2 3.88Å; F281-F295 HydrophobicContact CE1-CE2 3.88Å; F281-F295 HydrophobicContact CE1-CG 4.35Å; F281-F295 AromaticContact CE1-CZ 3.74Å; F281-F295 HydrophobicContact CE1-CZ 3.74Å; F281-F295 AromaticContact CE2-CD2 3.52Å; F281-F295 HydrophobicContact CE2-CD2 3.52Å; F281-F295 AromaticContact CE2-CE2 3.41Å; F281-F295 HydrophobicContact CE2-CE2 3.41Å; F281-F295 VanDerWaalsContact CE2-CE2 3.41Å; F281-F295 HydrophobicContact CE2-CG 4.29Å; F281-F295 HydrophobicContact CE2-CZ 4.12Å; F281-F295 HydrophobicContact CZ-CB 4.38Å; F281-F295 AromaticContact CZ-CD1 3.93Å; F281-F295 HydrophobicContact CZ-CD1 3.93Å; F281-F295 AromaticContact CZ-CD2 3.26Å; F281-F295 HydrophobicContact CZ-CD2 3.26Å; F281-F295 AromaticContact CZ-CE1 3.95Å; F281-F295 HydrophobicContact CZ-CE1 3.95Å; F281-F295 AromaticContact CZ-CE2 3.28Å; F281-F295 HydrophobicContact CZ-CE2 3.28Å; F281-F295 AromaticContact CZ-CG 3.59Å; F281-F295 HydrophobicContact CZ-CG 3.59Å; F281-F295 AromaticContact CZ-CZ 3.64Å; F281-F295 HydrophobicContact CZ-CZ 3.64Å; D291-F295 VanDerWaalsContact O-CD2 3.28Å; D291-F295 WeakPolarHBondContact O-CD2 3.44Å; D291-F295 PolarHBondContact O-N 3.48Å; I292-F295 PolarHBondContact O-N 3.46Å; L293-F295 VanDerWaalsContact C-N 3.29Å; L293-F295 PolarHBondContact O-N 3.25Å
296A87.4Confident87.6Confident9 Ų955.1 Ų55.17%0.07429%0.293CS..  trans-65.6136.3176.900000111.1M143 I292 L304M143-A296 HydrophobicContact CE-CB 3.82Å; M143-A296 HydrophobicContact CG-CB 4.12Å; M143-A296 HydrophobicContact SD-CB 3.39Å; M143-A296 WeakPolarHBondContact SD-CB 3.24Å; I292-A296 WeakPolarHBondContact O-CA 3.36Å; I292-A296 WeakPolarHBondContact O-CB 3.47Å; I292-A296 PolarHBondContact O-N 3.12Å; A296-L304 HydrophobicContact CB-CD1 3.85Å; A296-L304 HydrophobicContact CB-CG 4.07Å
297Q81.6Confident88.1Confident135 Ų13557 Ų5763%0.63131%0.305SS*.BIsolated β-bridgetrans-110.5142168.8-65.2179.1-5.800109.6K302Q297-K302 CarbonylContact C-O 3.57Å; Q297-K302 VanDerWaalsContact CA-O 3.29Å; Q297-K302 WeakPolarHBondContact CA-O 3.49Å
298T78.2Confident88.3Confident50 Ų5056.5 Ų56.531%0.30730%0.303SS..  trans-71.1172.6169.9660000110.3D300 G301 K302 L304T298-D300 PolarHBondContact O-N 3.38Å; T298-D300 VanDerWaalsContact O-N 3.12Å; T298-D300 PolarHBondContact OG1-N 2.85Å; T298-G301 PolarHBondContact O-N 3.27Å; T298-K302 WeakPolarHBondContact CG2-O 3.4Å; T298-K302 PolarHBondContact N-O 2.84Å; T298-K302 PolarHBondContact OG1-N 2.67Å; T298-K302 PolarHBondContact OG1-O 3.47Å; T298-L304 HydrophobicContact CG2-CD2 4.23Å
299E76Confident88.5Confident102 Ų10256.3 Ų56.348%0.47730%0.302SS..THydrogen-bonded Turntrans-57.8-25175.9-69.2178.1177.200112.7K135 Q139 R142 G301K135-E299 WeakPolarHBondContact CE-OE2 3.25Å; K135-E299 IonicContact NZ-OE2 3.62Å; K135-E299 PolarHBondContact NZ-OE2 2.79Å; Q139-E299 PolarHBondContact NE2-OE1 3.38Å; Q139-E299 VanDerWaalsContact NE2-OE1 3.11Å; Q139-E299 PolarHBondContact NE2-OE2 3.15Å; R142-E299 IonicContact NH2-OE1 2.74Å; R142-E299 PolarHBondContact NH2-OE1 3.26Å; E299-G301 VanDerWaalsContact C-N 3.29Å; E299-G301 PolarHBondContact O-N 3.38Å
300D79.7Confident88.6Confident136 Ų13658.9 Ų58.973%0.72731%0.312SS*.THydrogen-bonded Turntrans-88.88.7178.2-53-38000112.9T298 K302T298-D300 PolarHBondContact O-N 3.38Å; T298-D300 VanDerWaalsContact O-N 3.12Å; T298-D300 PolarHBondContact OG1-N 2.85Å; D300-K302 PolarHBondContact O-N 2.75Å
301G80.4Confident88.8Confident44 Ų4459 Ų5945%0.45431%0.313SS..SBendtrans74.96.2-178.200000114.9T298 E299T298-G301 PolarHBondContact O-N 3.27Å; E299-G301 VanDerWaalsContact C-N 3.29Å; E299-G301 PolarHBondContact O-N 3.38Å
302K86Confident89Confident145 Ų14559.1 Ų59.163%0.6331%0.313SS*.PPolyproline II helixtrans-85.6147.2178.9-63.8180179.5175.30111Q297 T298 D300Q297-K302 CarbonylContact C-O 3.57Å; Q297-K302 VanDerWaalsContact CA-O 3.29Å; Q297-K302 WeakPolarHBondContact CA-O 3.49Å; T298-K302 WeakPolarHBondContact CG2-O 3.4Å; T298-K302 PolarHBondContact N-O 2.84Å; T298-K302 PolarHBondContact OG1-N 2.67Å; T298-K302 PolarHBondContact OG1-O 3.47Å; D300-K302 PolarHBondContact O-N 2.75Å
303S88.4Confident89.2Confident86 Ų8658.2 Ų58.260%0.60131%0.309SS*.BIsolated β-bridgetrans-62.1155.6168.9-58.80000111.6
304L89.9Confident89.4Confident17 Ų1758.1 Ų58.19%0.08931%0.308CS..PPolyproline II helixtrans-58.9145.9166-69.9178.6000110.4M143 L293 A296 T298 V309M143-L304 HydrophobicContact CE-CD1 4.39Å; M143-L304 HydrophobicContact CE-CD2 4.14Å; M143-L304 HydrophobicContact CE-CG 4.43Å; M143-L304 HydrophobicContact SD-CD1 3.85Å; M143-L304 HydrophobicContact SD-CG 4.49Å; L293-L304 HydrophobicContact CD2-CD1 3.72Å; A296-L304 HydrophobicContact CB-CD1 3.85Å; A296-L304 HydrophobicContact CB-CG 4.07Å; T298-L304 HydrophobicContact CG2-CD2 4.23Å; L304-V309 HydrophobicContact CB-CG2 3.83Å; L304-V309 HydrophobicContact CD1-CG2 4.41Å
305S92Very high89.7Confident47 Ų4756.4 Ų56.433%0.32930%0.299SS..PPolyproline II helixtrans-70.3154.3173.388.10000110.3E307 D308 V309S305-E307 WeakPolarHBondContact CB-OE2 3.2Å; S305-E307 PolarHBondContact O-N 3.46Å; S305-E307 PolarHBondContact OG-N 3.48Å; S305-E307 PolarHBondContact OG-OE2 2.66Å; S305-D308 PolarHBondContact O-N 3.46Å; S305-D308 VanDerWaalsContact O-N 3.07Å; S305-D308 PolarHBondContact OG-N 3.21Å; S305-V309 WeakPolarHBondContact O-CG2 3.38Å; S305-V309 PolarHBondContact O-N 3.33Å
306D91.1Very high90.1Very high103 Ų10352.7 Ų52.755%0.55128%0.283SS*.Hα-helixtrans-60.1-29.8177.4-78.9-38.2000111.4K269 R310K269-D306 IonicContact NZ-OD1 3.96Å; K269-D306 PolarHBondContact NZ-OD1 3.26Å; D306-R310 WeakPolarHBondContact O-CB 3.33Å; D306-R310 PolarHBondContact O-N 3.17Å
307E92.7Very high90.4Very high123 Ų12352.3 Ų52.358%0.57528%0.279SS*.Hα-helixtrans-67.5-42.2173.7-56.877.2-168.400112.6S305 A311S305-E307 WeakPolarHBondContact CB-OE2 3.2Å; S305-E307 PolarHBondContact O-N 3.46Å; S305-E307 PolarHBondContact OG-N 3.48Å; S305-E307 PolarHBondContact OG-OE2 2.66Å; E307-A311 WeakPolarHBondContact O-CB 3.49Å; E307-A311 PolarHBondContact O-N 3.24Å
308D93.8Very high91.1Very high32 Ų3246.1 Ų46.117%0.17125%0.251CS..Hα-helixtrans-67.5-40.4176.8-84.3-20000110.6K136 S305 A311 E312K136-D308 IonicContact NZ-OD1 3.27Å; K136-D308 PolarHBondContact NZ-OD1 3.21Å; K136-D308 IonicContact NZ-OD2 3.21Å; K136-D308 PolarHBondContact NZ-OD2 3.44Å; S305-D308 PolarHBondContact O-N 3.46Å; S305-D308 VanDerWaalsContact O-N 3.07Å; S305-D308 PolarHBondContact OG-N 3.21Å; D308-A311 PolarHBondContact O-N 2.94Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.03Å
309V95.1Very high92Very high5 Ų546.3 Ų46.33%0.0325%0.248CC..Hα-helixtrans-61.2-49.8174.3173.90000110.7I265 L293 L294 L304 S305 A311 E312 M313I265-V309 HydrophobicContact CD1-CG1 4.35Å; L293-V309 HydrophobicContact CB-CG1 4.37Å; L293-V309 HydrophobicContact CD1-CG1 4.48Å; L294-V309 HydrophobicContact CD2-CG1 4.46Å; L304-V309 HydrophobicContact CB-CG2 3.83Å; L304-V309 HydrophobicContact CD1-CG2 4.41Å; S305-V309 WeakPolarHBondContact O-CG2 3.38Å; S305-V309 PolarHBondContact O-N 3.33Å; V309-A311 PolarHBondContact O-N 3.28Å; V309-E312 PolarHBondContact O-N 3.17Å; V309-M313 WeakPolarHBondContact O-CB 3.4Å; V309-M313 WeakPolarHBondContact O-CG 3.44Å; V309-M313 PolarHBondContact O-N 3.38Å
310R95.6Very high92.8Very high56 Ų5642.4 Ų42.421%0.21124%0.235CC..Hα-helixtrans-62.4-42.8178.6-173.2-174.355.270.2-1.5111.4H258 T261 I265 D306 M313 D314H258-R310 PolarHBondContact CD2-NH1 2.83Å; H258-R310 PolarHBondContact NE2-NH1 3.02Å; T261-R310 HydrophobicContact CG2-CG 4.23Å; I265-R310 HydrophobicContact CD1-CB 4.4Å; D306-R310 WeakPolarHBondContact O-CB 3.33Å; D306-R310 PolarHBondContact O-N 3.17Å; R310-M313 PolarHBondContact O-N 3Å; R310-D314 WeakPolarHBondContact CG-OD2 3.43Å; R310-D314 IonicContact CZ-OD2 2.92Å; R310-D314 IonicContact NH1-OD2 3.56Å; R310-D314 PolarHBondContact NH1-OD2 2.97Å; R310-D314 WeakPolarHBondContact O-CB 3.47Å; R310-D314 PolarHBondContact O-N 3.35Å
311A97.3Very high93.6Very high3 Ų335.9 Ų35.93%0.02520%0.2CC..Hα-helixtrans-62.6-43.2178.800000112.5I125 E307 D308 V309 T315I125-A311 CarbonylContact O-C 3.48Å; I125-A311 WeakPolarHBondContact O-CA 3.47Å; I125-A311 WeakPolarHBondContact O-CB 3.47Å; E307-A311 WeakPolarHBondContact O-CB 3.49Å; E307-A311 PolarHBondContact O-N 3.24Å; D308-A311 PolarHBondContact O-N 2.94Å; V309-A311 PolarHBondContact O-N 3.28Å; A311-T315 VanDerWaalsContact O-CB 3.28Å; A311-T315 WeakPolarHBondContact O-CB 3.35Å; A311-T315 PolarHBondContact O-N 3.49Å; A311-T315 PolarHBondContact O-OG1 2.92Å
312E97.4Very high94.3Very high1 Ų133.9 Ų33.91%0.00518%0.179CC..Hα-helixtrans-66.4-40.9175.1-71.2-63.5175.900111.6G128 L129 H140 F289 L293 D308 V309 T315 F316G128-E312 WeakPolarHBondContact CA-OE1 3.48Å; L129-E312 WeakPolarHBondContact CB-OE2 3.4Å; L129-E312 VanDerWaalsContact N-CD 3.3Å; L129-E312 PolarHBondContact N-OE1 3.29Å; L129-E312 VanDerWaalsContact N-OE1 3.07Å; L129-E312 PolarHBondContact N-OE2 2.87Å; H140-E312 IonicContact CE1-OE1 3.78Å; H140-E312 IonicContact CG-OE1 2.75Å; H140-E312 IonicContact ND1-OE1 3.69Å; H140-E312 PolarHBondContact ND1-OE1 3.44Å; F289-E312 HydrophobicContact CZ-CB 4.05Å; L293-E312 HydrophobicContact CD1-CB 3.72Å; L293-E312 HydrophobicContact CD2-CB 3.88Å; L293-E312 HydrophobicContact CD2-CG 4.09Å; L293-E312 HydrophobicContact CG-CB 4.46Å; D308-E312 WeakPolarHBondContact O-CG 3.46Å; D308-E312 PolarHBondContact O-N 3.03Å; V309-E312 PolarHBondContact O-N 3.17Å; E312-T315 PolarHBondContact O-N 3.13Å; E312-F316 WeakPolarHBondContact O-CD2 3.43Å; E312-F316 PolarHBondContact O-N 3.11Å
313M96.6Very high94.8Very high0 Ų028.5 Ų28.50%016%0.158CC..Hα-helixtrans-64.1-48175.4-75.6-163.872.100113.5F200 T261 V264 I265 F289 L290 L293 V309 R310 T315 F316 M317F200-M313 HydrophobicContact CD1-CE 4.04Å; F200-M313 HydrophobicContact CD2-CE 4.11Å; F200-M313 HydrophobicContact CE1-CE 4.22Å; F200-M313 HydrophobicContact CE2-CE 4.26Å; F200-M313 HydrophobicContact CG-CE 4Å; F200-M313 HydrophobicContact CZ-CE 4.32Å; T261-M313 HydrophobicContact CG2-CB 3.54Å; T261-M313 HydrophobicContact CG2-CE 4.36Å; T261-M313 HydrophobicContact CG2-SD 4.31Å; V264-M313 HydrophobicContact CB-CE 4.38Å; V264-M313 HydrophobicContact CG1-CE 3.96Å; I265-M313 HydrophobicContact CB-SD 4.47Å; I265-M313 HydrophobicContact CD1-SD 3.57Å; I265-M313 VanDerWaalsContact CD1-SD 3.57Å; I265-M313 HydrophobicContact CG1-CE 4Å; I265-M313 HydrophobicContact CG1-SD 3.09Å; I265-M313 WeakPolarHBondContact CG1-SD 3.34Å; F289-M313 HydrophobicContact CE1-CG 4.3Å; L290-M313 HydrophobicContact CD1-CE 3.96Å; L290-M313 HydrophobicContact CD1-CG 4.19Å; L290-M313 HydrophobicContact CD1-SD 3.34Å; L290-M313 WeakPolarHBondContact CD1-SD 3.24Å; L290-M313 HydrophobicContact CD2-CE 3.95Å; L290-M313 HydrophobicContact CD2-SD 4.36Å; L290-M313 HydrophobicContact CG-CE 4.5Å; L290-M313 HydrophobicContact CG-SD 4.44Å; L293-M313 HydrophobicContact CD1-CG 3.83Å; V309-M313 WeakPolarHBondContact O-CB 3.4Å; V309-M313 WeakPolarHBondContact O-CG 3.44Å; V309-M313 PolarHBondContact O-N 3.38Å; R310-M313 PolarHBondContact O-N 3Å; M313-T315 PolarHBondContact O-N 3.2Å; M313-F316 PolarHBondContact O-N 3.27Å; M313-M317 WeakPolarHBondContact O-CB 3.16Å; M313-M317 PolarHBondContact O-N 2.89Å
314D97.8Very high95.3Very high0 Ų024.4 Ų24.40%013%0.13CC..Hα-helixtrans-58.4-41.4176.5-74.3-36.2000110.5I125 H258 T261 R310 F318I125-D314 HydrophobicContact CB-CB 4.12Å; I125-D314 HydrophobicContact CG2-CB 4.11Å; H258-D314 IonicContact CD2-OD2 2.87Å; H258-D314 PolarHBondContact CD2-OD2 2.92Å; H258-D314 VanDerWaalsContact CD2-OD2 3.29Å; H258-D314 IonicContact NE2-OD2 3.79Å; T261-D314 WeakPolarHBondContact CB-OD1 3.29Å; T261-D314 WeakPolarHBondContact CG2-OD1 3.49Å; T261-D314 PolarHBondContact OG1-OD1 3.34Å; R310-D314 WeakPolarHBondContact CG-OD2 3.43Å; R310-D314 IonicContact CZ-OD2 2.92Å; R310-D314 IonicContact NH1-OD2 3.56Å; R310-D314 PolarHBondContact NH1-OD2 2.97Å; R310-D314 WeakPolarHBondContact O-CB 3.47Å; R310-D314 PolarHBondContact O-N 3.35Å; D314-F318 WeakPolarHBondContact O-CB 3.39Å; D314-F318 PolarHBondContact O-N 2.99Å
315T97.7Very high95.7Very high0 Ų023.6 Ų23.60%013%0.126CC..Hα-helixtrans-60.2-54.1176.8-63.80000111.2I125 G128 L130 A311 E312 M313 F318 E319I125-T315 PolarHBondContact O-OG1 2.93Å; G128-T315 WeakPolarHBondContact CA-OG1 3.38Å; L130-T315 HydrophobicContact CB-CG2 3.79Å; A311-T315 VanDerWaalsContact O-CB 3.28Å; A311-T315 WeakPolarHBondContact O-CB 3.35Å; A311-T315 PolarHBondContact O-N 3.49Å; A311-T315 PolarHBondContact O-OG1 2.92Å; E312-T315 PolarHBondContact O-N 3.13Å; M313-T315 PolarHBondContact O-N 3.2Å; T315-F318 PolarHBondContact O-N 2.84Å; T315-E319 HydrophobicContact CG2-CG 4.36Å; T315-E319 WeakPolarHBondContact O-CB 3.41Å; T315-E319 WeakPolarHBondContact O-CG 3.09Å; T315-E319 PolarHBondContact O-N 3.29Å
316F96.5Very high96Very high13 Ų1321.4 Ų21.46%0.05711%0.11CC..Hα-helixtrans-71.5-33.5-177-85.5-103000112.6L129 L144 F148 F200 F289 E312 M313 F318 G320 I456L129-F316 HydrophobicContact CB-CE2 3.97Å; L129-F316 HydrophobicContact CD2-CE2 3.91Å; L129-F316 HydrophobicContact CD2-CZ 3.68Å; L144-F316 HydrophobicContact CD1-CE2 3.78Å; L144-F316 HydrophobicContact CD1-CZ 4Å; F148-F316 HydrophobicContact CE2-CD1 4.35Å; F148-F316 AromaticContact CE2-CE1 3.53Å; F148-F316 HydrophobicContact CE2-CE1 3.53Å; F148-F316 HydrophobicContact CE2-CZ 4.26Å; F148-F316 AromaticContact CZ-CD1 3.82Å; F148-F316 HydrophobicContact CZ-CD1 3.82Å; F148-F316 AromaticContact CZ-CE1 3.38Å; F148-F316 HydrophobicContact CZ-CE1 3.38Å; F148-F316 HydrophobicContact CZ-CZ 4.49Å; F200-F316 HydrophobicContact CE1-CB 4.45Å; F200-F316 HydrophobicContact CZ-CB 4.28Å; F289-F316 AromaticContact CD2-CD1 3.85Å; F289-F316 HydrophobicContact CD2-CD1 3.85Å; F289-F316 HydrophobicContact CD2-CD2 4.33Å; F289-F316 AromaticContact CD2-CE1 3.92Å; F289-F316 HydrophobicContact CD2-CE1 3.92Å; F289-F316 HydrophobicContact CD2-CE2 4.37Å; F289-F316 HydrophobicContact CD2-CG 4.06Å; F289-F316 HydrophobicContact CD2-CZ 4.16Å; F289-F316 HydrophobicContact CE1-CB 3.98Å; F289-F316 HydrophobicContact CE1-CD2 4.21Å; F289-F316 HydrophobicContact CE1-CG 4.04Å; F289-F316 HydrophobicContact CE2-CB 4.2Å; F289-F316 AromaticContact CE2-CD1 3.56Å; F289-F316 HydrophobicContact CE2-CD1 3.56Å; F289-F316 AromaticContact CE2-CD2 3.27Å; F289-F316 HydrophobicContact CE2-CD2 3.27Å; F289-F316 AromaticContact CE2-CE1 3.62Å; F289-F316 HydrophobicContact CE2-CE1 3.62Å; F289-F316 AromaticContact CE2-CE2 3.31Å; F289-F316 HydrophobicContact CE2-CE2 3.31Å; F289-F316 AromaticContact CE2-CG 3.37Å; F289-F316 HydrophobicContact CE2-CG 3.37Å; F289-F316 AromaticContact CE2-CZ 3.48Å; F289-F316 HydrophobicContact CE2-CZ 3.48Å; F289-F316 VanDerWaalsContact CE2-CZ 3.48Å; F289-F316 HydrophobicContact CZ-CB 3.75Å; F289-F316 HydrophobicContact CZ-CD1 4.02Å; F289-F316 AromaticContact CZ-CD2 3.17Å; F289-F316 HydrophobicContact CZ-CD2 3.17Å; F289-F316 HydrophobicContact CZ-CE1 4.44Å; F289-F316 AromaticContact CZ-CE2 3.67Å; F289-F316 HydrophobicContact CZ-CE2 3.67Å; F289-F316 AromaticContact CZ-CG 3.34Å; F289-F316 HydrophobicContact CZ-CG 3.34Å; F289-F316 HydrophobicContact CZ-CZ 4.27Å; E312-F316 WeakPolarHBondContact O-CD2 3.43Å; E312-F316 PolarHBondContact O-N 3.11Å; M313-F316 PolarHBondContact O-N 3.27Å; F316-F318 VanDerWaalsContact C-N 3.29Å; F316-F318 PolarHBondContact O-N 3.15Å; F316-G320 PolarHBondContact O-N 2.99Å; F316-I456 HydrophobicContact CE1-CG2 3.86Å; F316-I456 HydrophobicContact CZ-CG2 3.98Å
317M94.9Very high96.3Very high0 Ų016.6 Ų16.60%09%0.085CC..Hα-helixtrans-64-38.3175.8-167.1150.379.800110.8M195 F200 Y215 H260 T261 M313 H321M195-M317 HydrophobicContact CE-CB 4.1Å; M195-M317 HydrophobicContact CE-CG 3.65Å; F200-M317 HydrophobicContact CE2-CB 3.83Å; F200-M317 HydrophobicContact CE2-CG 4.01Å; F200-M317 HydrophobicContact CE2-SD 3.87Å; F200-M317 HydrophobicContact CZ-CB 4.02Å; Y215-M317 HydrophobicContact CD2-CE 3.85Å; Y215-M317 HydrophobicContact CE1-CE 4.11Å; Y215-M317 HydrophobicContact CE1-CG 3.87Å; Y215-M317 HydrophobicContact CE1-SD 4.49Å; Y215-M317 HydrophobicContact CE2-CE 3.24Å; Y215-M317 WeakPolarHBondContact OH-CG 3.44Å; H260-M317 HydrophobicContact CB-CE 4.37Å; H260-M317 VanDerWaalsContact CD2-CE 3.48Å; H260-M317 WeakPolarHBondContact CD2-CE 3.21Å; T261-M317 WeakPolarHBondContact OG1-CE 3.47Å; M313-M317 WeakPolarHBondContact O-CB 3.16Å; M313-M317 PolarHBondContact O-N 2.89Å; M317-H321 PolarHBondContact O-CE1 3.32Å; M317-H321 PolarHBondContact O-ND1 3.19Å
318F96Very high96.6Very high5 Ų510.7 Ų10.72%0.0226%0.057CC..Hα-helixtrans-71.9-56.5172.5168.2-129.1000112.9F121 W124 I125 V219 T223 D314 T315 F316 G320 H321 N322 I492F121-F318 HydrophobicContact CE1-CE1 4.29Å; W124-F318 HydrophobicContact CH2-CB 3.98Å; W124-F318 AromaticContact CH2-CD1 3.7Å; W124-F318 HydrophobicContact CH2-CD1 3.7Å; W124-F318 AromaticContact CH2-CD2 3.34Å; W124-F318 HydrophobicContact CH2-CD2 3.34Å; W124-F318 AromaticContact CH2-CE1 3.99Å; W124-F318 HydrophobicContact CH2-CE1 3.99Å; W124-F318 AromaticContact CH2-CE2 3.65Å; W124-F318 HydrophobicContact CH2-CE2 3.65Å; W124-F318 AromaticContact CH2-CG 3.36Å; W124-F318 HydrophobicContact CH2-CG 3.36Å; W124-F318 AromaticContact CH2-CZ 3.96Å; W124-F318 HydrophobicContact CH2-CZ 3.96Å; W124-F318 HydrophobicContact CZ2-CB 3.72Å; W124-F318 HydrophobicContact CZ2-CD1 4.28Å; W124-F318 AromaticContact CZ2-CD2 3.82Å; W124-F318 HydrophobicContact CZ2-CD2 3.82Å; W124-F318 AromaticContact CZ2-CG 3.66Å; W124-F318 HydrophobicContact CZ2-CG 3.66Å; W124-F318 HydrophobicContact CZ3-CD1 4.13Å; W124-F318 HydrophobicContact CZ3-CD2 4.38Å; W124-F318 HydrophobicContact CZ3-CE1 4.16Å; W124-F318 HydrophobicContact CZ3-CE2 4.41Å; W124-F318 HydrophobicContact CZ3-CG 4.24Å; W124-F318 HydrophobicContact CZ3-CZ 4.29Å; I125-F318 HydrophobicContact CG2-CB 4.45Å; V219-F318 HydrophobicContact CG1-CD2 3.68Å; V219-F318 HydrophobicContact CG1-CE2 3.99Å; T223-F318 HydrophobicContact CG2-CE2 3.54Å; T223-F318 HydrophobicContact CG2-CZ 3.76Å; D314-F318 WeakPolarHBondContact O-CB 3.39Å; D314-F318 PolarHBondContact O-N 2.99Å; T315-F318 PolarHBondContact O-N 2.84Å; F316-F318 VanDerWaalsContact C-N 3.29Å; F316-F318 PolarHBondContact O-N 3.15Å; F318-G320 VanDerWaalsContact C-N 3.31Å; F318-G320 PolarHBondContact O-N 3.48Å; F318-H321 PolarHBondContact O-ND1 3.49Å; F318-N322 HydrophobicContact CD2-CB 3.97Å; F318-N322 HydrophobicContact CE2-CB 3.76Å; F318-N322 PolarHBondContact O-N 3.09Å; F318-I492 HydrophobicContact CE1-CG2 4.49Å; F318-I492 HydrophobicContact CZ-CG2 3.99Å
319E96.6Very high96.9Very high54 Ų549.2 Ų9.225%0.2525%0.049SC..Hα-helixtrans-64.7-35.5-171.2-70.6-167.4150.600112.7L130 T315 T323L130-E319 VanDerWaalsContact CB-OE1 3.27Å; L130-E319 WeakPolarHBondContact CB-OE1 3.42Å; L130-E319 WeakPolarHBondContact CD1-OE1 3.5Å; L130-E319 VanDerWaalsContact CD2-OE1 3.28Å; L130-E319 WeakPolarHBondContact CD2-OE1 3.37Å; L130-E319 WeakPolarHBondContact CG-OE1 3.41Å; T315-E319 HydrophobicContact CG2-CG 4.36Å; T315-E319 WeakPolarHBondContact O-CB 3.41Å; T315-E319 WeakPolarHBondContact O-CG 3.09Å; T315-E319 PolarHBondContact O-N 3.29Å; E319-T323 PolarHBondContact O-OG1 2.81Å
320G93.5Very high97Very high20 Ų209 Ų921%0.2065%0.048CC..Hα-helixtrans-72.2-32.3-174.500000115F316 F318 T324F316-G320 PolarHBondContact O-N 2.99Å; F318-G320 VanDerWaalsContact C-N 3.31Å; F318-G320 PolarHBondContact O-N 3.48Å; G320-T324 PolarHBondContact O-OG1 3.35Å
321H95.5Very high97.2Very high0 Ų06.4 Ų6.40%04%0.038CC..Hα-helixtrans-97.2-49.6-179.983-79000112.6T191 M192 M317 F318 T323 T324 A325T191-H321 PolarHBondContact OG1-O 2.73Å; M192-H321 HydrophobicContact CB-CB 3.94Å; M317-H321 PolarHBondContact O-CE1 3.32Å; M317-H321 PolarHBondContact O-ND1 3.19Å; F318-H321 PolarHBondContact O-ND1 3.49Å; H321-T323 PolarHBondContact O-N 3.02Å; H321-T324 PolarHBondContact O-N 3Å; H321-A325 VanDerWaalsContact O-CB 3.31Å; H321-A325 WeakPolarHBondContact O-CB 3.46Å; H321-A325 PolarHBondContact O-N 2.78Å
322N95Very high97.3Very high2 Ų26.2 Ų6.21%0.0114%0.037CC..Hα-helixtrans-67.8-39.7-163.8-154.8-72.3000112.1Y184 V219 F318 S326Y184-N322 PolarHBondContact OH-OD1 3.46Å; V219-N322 WeakPolarHBondContact CG1-ND2 3.24Å; F318-N322 HydrophobicContact CD2-CB 3.97Å; F318-N322 HydrophobicContact CE2-CB 3.76Å; F318-N322 PolarHBondContact O-N 3.09Å; N322-S326 PolarHBondContact O-N 3.47Å; N322-S326 VanDerWaalsContact O-N 3.16Å
323T97.8Very high97.3Very high31 Ų317.6 Ų7.619%0.194%0.042CC..Hα-helixtrans-71.2-41.7178.865.90000111.5E319 H321 S326 G327 P383 I384 V493E319-T323 PolarHBondContact O-OG1 2.81Å; H321-T323 PolarHBondContact O-N 3.02Å; T323-S326 PolarHBondContact O-N 3.14Å; T323-G327 PolarHBondContact O-N 3.1Å; T323-P383 WeakPolarHBondContact O-CB 3.47Å; T323-I384 HydrophobicContact CG2-CD1 3.79Å; T323-I384 HydrophobicContact CG2-CG1 4.24Å; T323-V493 HydrophobicContact CG2-CG2 4.06Å
324T98.4Very high97.4Very high1 Ų17.6 Ų7.61%0.0064%0.042CC..Hα-helixtrans-65.9-42.4176.8-49.90000111.1T191 G320 H321 S326 G327 I328 T461 E464 L465T191-T324 HydrophobicContact CG2-CG2 3.79Å; G320-T324 PolarHBondContact O-OG1 3.35Å; H321-T324 PolarHBondContact O-N 3Å; T324-S326 VanDerWaalsContact C-N 3.34Å; T324-S326 PolarHBondContact O-N 2.92Å; T324-G327 WeakPolarHBondContact O-CA 3.28Å; T324-G327 PolarHBondContact O-N 3.43Å; T324-I328 HydrophobicContact CG2-CD1 4Å; T324-I328 HydrophobicContact CG2-CG1 4.29Å; T324-I328 WeakPolarHBondContact O-CG1 3.47Å; T324-I328 PolarHBondContact O-N 3.07Å; T324-T461 HydrophobicContact CG2-CG2 4.15Å; T324-E464 HydrophobicContact CG2-CB 4.48Å; T324-E464 HydrophobicContact CG2-CG 4.17Å; T324-E464 WeakPolarHBondContact CG2-OE2 3.19Å; T324-L465 HydrophobicContact CG2-CD2 4.07Å
325A98.3Very high97.5Very high0 Ų07.8 Ų7.80%04%0.043CC..Hα-helixtrans-61.3-43.4178.400000112.3Y184 I187 S188 T191 H321 S329Y184-A325 HydrophobicContact CE2-CB 4.08Å; I187-A325 HydrophobicContact CG2-CB 3.95Å; S188-A325 WeakPolarHBondContact OG-CB 3.38Å; T191-A325 HydrophobicContact CG2-CB 4.35Å; H321-A325 VanDerWaalsContact O-CB 3.31Å; H321-A325 WeakPolarHBondContact O-CB 3.46Å; H321-A325 PolarHBondContact O-N 2.78Å; A325-S329 WeakPolarHBondContact O-CB 3.44Å; A325-S329 PolarHBondContact O-N 3.47Å; A325-S329 PolarHBondContact O-OG 3.35Å
326S98.1Very high97.5Very high1 Ų17.8 Ų7.81%0.0074%0.043CC..Hα-helixtrans-57.8-49.3170.81720000111N322 T323 T324 I328 S329 W330 L494N322-S326 PolarHBondContact O-N 3.47Å; N322-S326 VanDerWaalsContact O-N 3.16Å; T323-S326 PolarHBondContact O-N 3.14Å; T324-S326 VanDerWaalsContact C-N 3.34Å; T324-S326 PolarHBondContact O-N 2.92Å; S326-I328 PolarHBondContact O-N 3.12Å; S326-S329 PolarHBondContact O-N 3.39Å; S326-W330 PolarHBondContact O-N 3.28Å; S326-W330 PolarHBondContact OG-NE1 3.21Å; S326-L494 PolarHBondContact OG-O 3.49Å
327G98.6Very high97.6Very high1 Ų19.3 Ų9.31%0.015%0.054CC..Hα-helixtrans-55.3-52.6178.400000113.3T323 T324 S329 W330 I331T323-G327 PolarHBondContact O-N 3.1Å; T324-G327 WeakPolarHBondContact O-CA 3.28Å; T324-G327 PolarHBondContact O-N 3.43Å; G327-S329 PolarHBondContact O-N 2.93Å; G327-W330 PolarHBondContact O-N 3.36Å; G327-I331 VanDerWaalsContact O-CD1 3.25Å; G327-I331 WeakPolarHBondContact O-CD1 3.24Å; G327-I331 WeakPolarHBondContact O-CG1 3.31Å; G327-I331 PolarHBondContact O-N 3.03Å
328I98.9Very high97.8Very high0 Ų011.9 Ų11.90%07%0.065CC..Hα-helixtrans-61.2-45.8178.9-62.6174.8000110.6I187 M190 T191 T324 S326 W330 I331 F332 L465 A468I187-I328 HydrophobicContact CD1-CG2 3.89Å; I187-I328 HydrophobicContact CG1-CG2 4.24Å; I187-I328 HydrophobicContact CG2-CB 3.7Å; I187-I328 HydrophobicContact CG2-CD1 4.13Å; I187-I328 HydrophobicContact CG2-CG1 4.44Å; I187-I328 HydrophobicContact CG2-CG2 3.85Å; M190-I328 HydrophobicContact CE-CD1 3.54Å; T191-I328 HydrophobicContact CG2-CD1 3.75Å; T324-I328 HydrophobicContact CG2-CD1 4Å; T324-I328 HydrophobicContact CG2-CG1 4.29Å; T324-I328 WeakPolarHBondContact O-CG1 3.47Å; T324-I328 PolarHBondContact O-N 3.07Å; S326-I328 PolarHBondContact O-N 3.12Å; I328-W330 VanDerWaalsContact C-N 3.3Å; I328-W330 PolarHBondContact O-N 2.91Å; I328-I331 PolarHBondContact O-N 3.43Å; I328-I331 VanDerWaalsContact O-N 3.14Å; I328-F332 HydrophobicContact CG2-CD1 4.19Å; I328-F332 HydrophobicContact CG2-CD2 4.04Å; I328-F332 HydrophobicContact CG2-CE1 3.75Å; I328-F332 HydrophobicContact CG2-CE2 3.59Å; I328-F332 HydrophobicContact CG2-CG 4.32Å; I328-F332 HydrophobicContact CG2-CZ 3.43Å; I328-F332 VanDerWaalsContact CG2-CZ 3.43Å; I328-F332 WeakPolarHBondContact O-CG 3.26Å; I328-F332 PolarHBondContact O-N 3.48Å; I328-L465 HydrophobicContact CB-CD2 4.38Å; I328-L465 HydrophobicContact CD1-CD2 4.24Å; I328-L465 HydrophobicContact CG1-CD2 3.3Å; I328-A468 HydrophobicContact CD1-CB 3.73Å; I328-A468 HydrophobicContact CG1-CB 4.25Å; I328-A468 HydrophobicContact CG2-CB 4.06Å
329S98.7Very high97.9Very high0 Ų015.2 Ų15.20%09%0.088CC..Hα-helixtrans-59.6-43.2-179-54.70000111.5I187 A325 S326 G327 F332 Y333I187-S329 WeakPolarHBondContact CD1-OG 3.44Å; A325-S329 WeakPolarHBondContact O-CB 3.44Å; A325-S329 PolarHBondContact O-N 3.47Å; A325-S329 PolarHBondContact O-OG 3.35Å; S326-S329 PolarHBondContact O-N 3.39Å; G327-S329 PolarHBondContact O-N 2.93Å; S329-F332 PolarHBondContact O-N 2.78Å; S329-Y333 WeakPolarHBondContact O-CB 3.45Å; S329-Y333 PolarHBondContact O-N 3.01Å
330W98.7Very high97.9Very high2 Ų218.8 Ų18.81%0.00810%0.104CC..Hα-helixtrans-71.5-32.7177.2-70.3123.5000113.5S326 G327 I328 Y333 A334 Y381 P486 L488 L494 I500S326-W330 PolarHBondContact O-N 3.28Å; S326-W330 PolarHBondContact OG-NE1 3.21Å; G327-W330 PolarHBondContact O-N 3.36Å; I328-W330 VanDerWaalsContact C-N 3.3Å; I328-W330 PolarHBondContact O-N 2.91Å; W330-Y333 HydrophobicContact CE3-CD1 4.02Å; W330-Y333 HydrophobicContact CE3-CG 4.46Å; W330-Y333 HydrophobicContact CZ3-CD1 4.11Å; W330-A334 VanDerWaalsContact O-CB 3.28Å; W330-A334 WeakPolarHBondContact O-CB 3.42Å; W330-A334 PolarHBondContact O-N 3.48Å; W330-Y381 VanDerWaalsContact CB-CB 3.47Å; W330-Y381 HydrophobicContact CB-CD2 4.02Å; W330-Y381 HydrophobicContact CB-CG 3.87Å; W330-Y381 AromaticContact CD2-CD1 3.99Å; W330-Y381 HydrophobicContact CD2-CD1 3.99Å; W330-Y381 AromaticContact CD2-CG 3.93Å; W330-Y381 HydrophobicContact CD2-CG 3.93Å; W330-Y381 AromaticContact CE3-CD1 3.74Å; W330-Y381 HydrophobicContact CE3-CD1 3.74Å; W330-Y381 HydrophobicContact CE3-CD2 4.44Å; W330-Y381 HydrophobicContact CE3-CE1 4.1Å; W330-Y381 AromaticContact CE3-CG 3.94Å; W330-Y381 HydrophobicContact CE3-CG 3.94Å; W330-Y381 VanDerWaalsContact CG-CB 3.43Å; W330-Y381 HydrophobicContact CG-CD1 4.45Å; W330-Y381 AromaticContact CG-CG 3.92Å; W330-Y381 HydrophobicContact CG-CG 3.92Å; W330-Y381 HydrophobicContact CZ3-CD1 4.15Å; W330-Y381 HydrophobicContact CZ3-CE1 4.26Å; W330-P486 HydrophobicContact CH2-CB 3.87Å; W330-P486 HydrophobicContact CZ3-CB 3.8Å; W330-P486 HydrophobicContact CZ3-CG 4.42Å; W330-L488 HydrophobicContact CH2-CD1 4.01Å; W330-L488 HydrophobicContact CH2-CG 3.94Å; W330-L488 HydrophobicContact CZ2-CG 4.31Å; W330-L488 HydrophobicContact CZ3-CD1 4.29Å; W330-L494 HydrophobicContact CZ2-CG 4.26Å; W330-L494 PolarHBondContact NE1-O 3.36Å; W330-I500 HydrophobicContact CD2-CD1 3.88Å; W330-I500 HydrophobicContact CE3-CD1 3.87Å; W330-I500 HydrophobicContact CH2-CD1 4.03Å; W330-I500 HydrophobicContact CH2-CG1 4.37Å; W330-I500 HydrophobicContact CZ2-CD1 4.04Å; W330-I500 HydrophobicContact CZ3-CD1 3.94Å; W330-I500 HydrophobicContact CZ3-CG1 4.35Å
331I98.9Very high98.2Very high0 Ų018.6 Ų18.60%010%0.098CC..Hα-helixtrans-64-45.8172.2-68.5155.5000110.4G327 I328 A334 L335 I374 A377 L465 V469G327-I331 VanDerWaalsContact O-CD1 3.25Å; G327-I331 WeakPolarHBondContact O-CD1 3.24Å; G327-I331 WeakPolarHBondContact O-CG1 3.31Å; G327-I331 PolarHBondContact O-N 3.03Å; I328-I331 PolarHBondContact O-N 3.43Å; I328-I331 VanDerWaalsContact O-N 3.14Å; I331-A334 PolarHBondContact O-N 3.31Å; I331-L335 HydrophobicContact CG2-CD1 3.93Å; I331-L335 HydrophobicContact CG2-CG 4.4Å; I331-L335 WeakPolarHBondContact O-CG 3.29Å; I331-L335 PolarHBondContact O-N 2.9Å; I331-I374 HydrophobicContact CD1-CB 4.43Å; I331-I374 HydrophobicContact CD1-CG1 4.21Å; I331-I374 HydrophobicContact CD1-CG2 3.91Å; I331-I374 HydrophobicContact CG2-CG1 4.26Å; I331-A377 HydrophobicContact CB-CB 4.17Å; I331-A377 HydrophobicContact CG1-CB 3.55Å; I331-L465 HydrophobicContact CD1-CB 4.27Å; I331-L465 HydrophobicContact CD1-CD1 4Å; I331-L465 HydrophobicContact CD1-CD2 3.8Å; I331-L465 HydrophobicContact CD1-CG 4.21Å; I331-V469 HydrophobicContact CG2-CG2 3.48Å; I331-V469 VanDerWaalsContact CG2-CG2 3.48Å
332F98.8Very high98.3Very high0 Ų018.8 Ų18.80%010%0.099CC..Hα-helixtrans-62.8-43.8177.9-71.90.2000111.5W171 I183 I187 I328 S329 L335 A336 A468 V469 T472 L478 L502W171-F332 AromaticContact CH2-CD2 4Å; W171-F332 HydrophobicContact CH2-CD2 4Å; W171-F332 AromaticContact CH2-CE2 3.81Å; W171-F332 HydrophobicContact CH2-CE2 3.81Å; W171-F332 HydrophobicContact CZ3-CD2 4.42Å; W171-F332 HydrophobicContact CZ3-CE2 4.16Å; I183-F332 HydrophobicContact CD1-CB 3.91Å; I183-F332 HydrophobicContact CD1-CD2 4.25Å; I187-F332 HydrophobicContact CD1-CD2 3.8Å; I187-F332 HydrophobicContact CD1-CE2 3.94Å; I187-F332 HydrophobicContact CG1-CE2 4.43Å; I328-F332 HydrophobicContact CG2-CD1 4.19Å; I328-F332 HydrophobicContact CG2-CD2 4.04Å; I328-F332 HydrophobicContact CG2-CE1 3.75Å; I328-F332 HydrophobicContact CG2-CE2 3.59Å; I328-F332 HydrophobicContact CG2-CG 4.32Å; I328-F332 HydrophobicContact CG2-CZ 3.43Å; I328-F332 VanDerWaalsContact CG2-CZ 3.43Å; I328-F332 WeakPolarHBondContact O-CG 3.26Å; I328-F332 PolarHBondContact O-N 3.48Å; S329-F332 PolarHBondContact O-N 2.78Å; F332-L335 PolarHBondContact O-N 3.28Å; F332-A336 VanDerWaalsContact O-CB 3.27Å; F332-A336 WeakPolarHBondContact O-CB 3.49Å; F332-A336 PolarHBondContact O-N 2.94Å; F332-A468 HydrophobicContact CZ-CB 4.24Å; F332-V469 HydrophobicContact CD1-CG2 4.38Å; F332-V469 HydrophobicContact CE1-CG2 3.9Å; F332-T472 HydrophobicContact CE1-CG2 4.45Å; F332-T472 HydrophobicContact CE2-CG2 4.14Å; F332-T472 HydrophobicContact CZ-CG2 4.01Å; F332-T472 WeakPolarHBondContact CZ-OG1 3.29Å; F332-L478 HydrophobicContact CB-CD1 3.9Å; F332-L478 HydrophobicContact CD1-CD1 4.25Å; F332-L478 HydrophobicContact CD2-CD1 4.41Å; F332-L478 HydrophobicContact CG-CD1 3.95Å; F332-L502 HydrophobicContact CB-CD1 3.97Å
333Y98.6Very high98.5Very high30 Ų3022.4 Ų22.412%0.11812%0.116CC..Hα-helixtrans-60.3-45.2173.6176.9-105.3000112.7S329 W330 L335 A336 T337 Y381 P486 I500 L502S329-Y333 WeakPolarHBondContact O-CB 3.45Å; S329-Y333 PolarHBondContact O-N 3.01Å; W330-Y333 HydrophobicContact CE3-CD1 4.02Å; W330-Y333 HydrophobicContact CE3-CG 4.46Å; W330-Y333 HydrophobicContact CZ3-CD1 4.11Å; Y333-L335 PolarHBondContact O-N 3.42Å; Y333-A336 PolarHBondContact O-N 3.33Å; Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 4.29Å; Y333-T337 HydrophobicContact CE2-CG2 3.78Å; Y333-T337 WeakPolarHBondContact O-CG2 3.19Å; Y333-T337 PolarHBondContact O-N 3.03Å; Y333-T337 PolarHBondContact O-OG1 3.45Å; Y333-Y381 HydrophobicContact CD1-CE2 4.5Å; Y333-P486 HydrophobicContact CD2-CG 3.76Å; Y333-P486 HydrophobicContact CE1-CG 4.46Å; Y333-P486 HydrophobicContact CE2-CG 3.55Å; Y333-P486 HydrophobicContact CG-CG 4.32Å; Y333-I500 HydrophobicContact CD2-CG2 4.34Å; Y333-I500 HydrophobicContact CG-CG2 4.45Å; Y333-L502 HydrophobicContact CD2-CD2 4.21Å
334A98.7Very high98.5Very high0 Ų027.2 Ų27.20%013%0.13CC..Hα-helixtrans-62-42.8177.600000112W330 I331 T337 H338 A377 Y381 F429W330-A334 VanDerWaalsContact O-CB 3.28Å; W330-A334 WeakPolarHBondContact O-CB 3.42Å; W330-A334 PolarHBondContact O-N 3.48Å; I331-A334 PolarHBondContact O-N 3.31Å; A334-T337 WeakPolarHBondContact CA-OG1 3.25Å; A334-T337 PolarHBondContact O-N 2.78Å; A334-T337 PolarHBondContact O-OG1 3.47Å; A334-H338 PolarHBondContact O-N 2.75Å; A334-H338 PolarHBondContact O-ND1 3.16Å; A334-A377 HydrophobicContact CB-CB 4.01Å; A334-Y381 HydrophobicContact CB-CE2 4.15Å; A334-F429 HydrophobicContact CB-CD2 3.99Å; A334-F429 HydrophobicContact CB-CE2 3.63Å; A334-F429 HydrophobicContact CB-CZ 4.33Å
335L98.8Very high98.5Very high3 Ų327.1 Ų27.12%0.01613%0.13CC..Hα-helixtrans-70.6-35.9176.7-68.6174000112.6I331 F332 Y333 T337 H338 H341 Q342 C373 V469 L473I331-L335 HydrophobicContact CG2-CD1 3.93Å; I331-L335 HydrophobicContact CG2-CG 4.4Å; I331-L335 WeakPolarHBondContact O-CG 3.29Å; I331-L335 PolarHBondContact O-N 2.9Å; F332-L335 PolarHBondContact O-N 3.28Å; Y333-L335 PolarHBondContact O-N 3.42Å; L335-T337 VanDerWaalsContact C-N 3.33Å; L335-H338 CarbonylContact O-C 3.5Å; L335-H338 PolarHBondContact O-N 2.99Å; L335-H341 HydrophobicContact CD2-CB 4.41Å; L335-Q342 HydrophobicContact CB-CB 4.35Å; L335-Q342 HydrophobicContact CB-CG 4.31Å; L335-Q342 WeakPolarHBondContact O-CB 3.32Å; L335-Q342 PolarHBondContact O-NE2 3.24Å; L335-C373 HydrophobicContact CD2-CB 4.12Å; L335-V469 HydrophobicContact CD1-CG1 3.89Å; L335-L473 HydrophobicContact CD1-CD1 4.23Å
336A98.4Very high98.5Very high0 Ų027.7 Ų27.70%013%0.132CC..Hα-helixtrans-62.1-43.2175.200000111.1F332 Y333 H338 L478 P480 L502F332-A336 VanDerWaalsContact O-CB 3.27Å; F332-A336 WeakPolarHBondContact O-CB 3.49Å; F332-A336 PolarHBondContact O-N 2.94Å; Y333-A336 PolarHBondContact O-N 3.33Å; A336-H338 VanDerWaalsContact C-N 3.26Å; A336-H338 PolarHBondContact O-N 3.38Å; A336-L478 WeakPolarHBondContact CA-O 3.41Å; A336-L478 HydrophobicContact CB-CB 3.98Å; A336-P480 WeakPolarHBondContact O-CD 3.28Å; A336-L502 HydrophobicContact CB-CD1 4.22Å; A336-L502 HydrophobicContact CB-CD2 3.69Å
337T98.2Very high98.5Very high46 Ų4632.6 Ų32.628%0.28216%0.155SC..Hα-helixtrans-74.8-10.4178490000114.4Y333 A334 L335 P480Y333-T337 HydrophobicContact CD2-CG2 4.3Å; Y333-T337 HydrophobicContact CE1-CG2 4.29Å; Y333-T337 HydrophobicContact CE2-CG2 3.78Å; Y333-T337 WeakPolarHBondContact O-CG2 3.19Å; Y333-T337 PolarHBondContact O-N 3.03Å; Y333-T337 PolarHBondContact O-OG1 3.45Å; A334-T337 WeakPolarHBondContact CA-OG1 3.25Å; A334-T337 PolarHBondContact O-N 2.78Å; A334-T337 PolarHBondContact O-OG1 3.47Å; L335-T337 VanDerWaalsContact C-N 3.33Å; T337-P480 HydrophobicContact CG2-CB 3.87Å; T337-P480 HydrophobicContact CG2-CG 4.21Å
338H98.6Very high98.4Very high53 Ų5333.9 Ų33.925%0.24516%0.161CC..  trans-129.675.1178.1-57.579.3000111A334 L335 A336 E340 H341 Q342 F429A334-H338 PolarHBondContact O-N 2.75Å; A334-H338 PolarHBondContact O-ND1 3.16Å; L335-H338 CarbonylContact O-C 3.5Å; L335-H338 PolarHBondContact O-N 2.99Å; A336-H338 VanDerWaalsContact C-N 3.26Å; A336-H338 PolarHBondContact O-N 3.38Å; H338-E340 PolarHBondContact O-N 3.12Å; H338-E340 VanDerWaalsContact O-N 3.15Å; H338-H341 HydrophobicContact CB-CB 4.28Å; H338-H341 PolarHBondContact O-N 2.63Å; H338-Q342 PolarHBondContact O-N 3.05Å; H338-Q342 VanDerWaalsContact O-N 3.09Å; H338-F429 WeakPolarHBondContact NE2-CB 3.46Å
339P98.1Very high98.3Very high75 Ų7533.9 Ų33.949%0.48716%0.161SC..Hα-helixtrans-56.3-33-173.9-27.635.7000114.7H341 Q342 Q343P339-H341 VanDerWaalsContact C-N 3.35Å; P339-H341 PolarHBondContact O-N 3.25Å; P339-Q342 WeakPolarHBondContact O-CB 3.4Å; P339-Q342 PolarHBondContact O-N 3.31Å; P339-Q343 WeakPolarHBondContact O-CB 3.44Å; P339-Q343 PolarHBondContact O-N 3.46Å
340E98.5Very high98.1Very high130 Ų13038.7 Ų38.761%0.60718%0.182SC*.Hα-helixtrans-61.1-41.5176.264.5-177.8-15400112.5H338 R344H338-E340 PolarHBondContact O-N 3.12Å; H338-E340 VanDerWaalsContact O-N 3.15Å; E340-R344 WeakPolarHBondContact O-CG 3.21Å; E340-R344 PolarHBondContact O-N 3Å; E340-R344 VanDerWaalsContact O-N 3.1Å
341H98.8Very high97.9Very high16 Ų1643.2 Ų43.27%0.07421%0.214CC..Hα-helixtrans-74.8-37.3178-63.6-34.4000110.8L335 H338 P339 Q343 R344 C345 Y369 F429 P431L335-H341 HydrophobicContact CD2-CB 4.41Å; H338-H341 HydrophobicContact CB-CB 4.28Å; H338-H341 PolarHBondContact O-N 2.63Å; P339-H341 VanDerWaalsContact C-N 3.35Å; P339-H341 PolarHBondContact O-N 3.25Å; H341-Q343 VanDerWaalsContact C-N 3.34Å; H341-Q343 PolarHBondContact O-N 3.39Å; H341-R344 PolarHBondContact O-N 3.08Å; H341-C345 WeakPolarHBondContact O-CB 3.24Å; H341-C345 PolarHBondContact O-N 3.42Å; H341-C345 PolarHBondContact O-SG 3.47Å; H341-Y369 PolarHBondContact ND1-OH 3.23Å; H341-F429 HydrophobicContact CB-CE1 4.35Å; H341-F429 AromaticContact CD2-CD1 3.38Å; H341-F429 WeakPolarHBondContact CD2-CD1 3.36Å; H341-F429 AromaticContact CD2-CE1 3.42Å; H341-F429 VanDerWaalsContact CD2-CE1 3.42Å; H341-F429 WeakPolarHBondContact CD2-CE1 3.49Å; H341-F429 AromaticContact NE2-CD1 3.85Å; H341-P431 WeakPolarHBondContact NE2-CD 3.26Å
342Q98.7Very high97.8Very high4 Ų444.9 Ų44.92%0.01922%0.222CC..Hα-helixtrans-57.9-47.2172.9-165.3-173132.800111.5L335 H338 P339 C345 R346 L473 L478L335-Q342 HydrophobicContact CB-CB 4.35Å; L335-Q342 HydrophobicContact CB-CG 4.31Å; L335-Q342 WeakPolarHBondContact O-CB 3.32Å; L335-Q342 PolarHBondContact O-NE2 3.24Å; H338-Q342 PolarHBondContact O-N 3.05Å; H338-Q342 VanDerWaalsContact O-N 3.09Å; P339-Q342 WeakPolarHBondContact O-CB 3.4Å; P339-Q342 PolarHBondContact O-N 3.31Å; Q342-C345 PolarHBondContact O-N 3.15Å; Q342-R346 WeakPolarHBondContact O-CB 3.42Å; Q342-R346 PolarHBondContact O-N 3.48Å; Q342-L473 HydrophobicContact CG-CD2 3.51Å; Q342-L478 PolarHBondContact NE2-O 3.42Å
343Q98.4Very high97.4Very high78 Ų7845.7 Ų45.736%0.36423%0.227SC..Hα-helixtrans-65.2-43.8179.8-179.456.726.300111.8P339 H341 C345 R346 E347P339-Q343 WeakPolarHBondContact O-CB 3.44Å; P339-Q343 PolarHBondContact O-N 3.46Å; H341-Q343 VanDerWaalsContact C-N 3.34Å; H341-Q343 PolarHBondContact O-N 3.39Å; Q343-C345 PolarHBondContact O-N 3.01Å; Q343-R346 WeakPolarHBondContact O-CB 3.22Å; Q343-R346 PolarHBondContact O-N 2.91Å; Q343-E347 WeakPolarHBondContact CG-OE1 3.38Å; Q343-E347 PolarHBondContact NE2-OE1 3.15Å; Q343-E347 WeakPolarHBondContact O-CG 3.42Å; Q343-E347 PolarHBondContact O-N 3.4Å
344R98.5Very high96.6Very high131 Ų13146 Ų4649%0.49424%0.239SC..Hα-helixtrans-64-39.5175.7-73177.966.1-178.33.5113E340 H341 R346 E347 E348 Y369E340-R344 WeakPolarHBondContact O-CG 3.21Å; E340-R344 PolarHBondContact O-N 3Å; E340-R344 VanDerWaalsContact O-N 3.1Å; H341-R344 PolarHBondContact O-N 3.08Å; R344-R346 VanDerWaalsContact C-N 3.33Å; R344-E347 PolarHBondContact O-N 3.09Å; R344-E348 PolarHBondContact O-N 2.88Å; R344-Y369 HydrophobicContact CB-CD1 3.89Å; R344-Y369 HydrophobicContact CB-CE1 3.33Å; R344-Y369 HydrophobicContact CG-CE1 4.41Å; R344-Y369 VanDerWaalsContact CZ-CZ 3.43Å; R344-Y369 PolarHBondContact NE-OH 2.81Å; R344-Y369 PolarHBondContact NH1-OH 3.15Å
345C98.4Very high95.3Very high0 Ų054.5 Ų54.50%028%0.284CS..Hα-helixtrans-62.8-42.3172.7-66.90000111H341 Q342 Q343 E348 V349 L473H341-C345 WeakPolarHBondContact O-CB 3.24Å; H341-C345 PolarHBondContact O-N 3.42Å; H341-C345 PolarHBondContact O-SG 3.47Å; Q342-C345 PolarHBondContact O-N 3.15Å; Q343-C345 PolarHBondContact O-N 3.01Å; C345-E348 PolarHBondContact O-N 3.18Å; C345-V349 WeakPolarHBondContact O-CB 3.5Å; C345-V349 WeakPolarHBondContact O-CG2 3.47Å; C345-V349 PolarHBondContact O-N 3.2Å; C345-L473 HydrophobicContact CB-CD1 3.49Å; C345-L473 VanDerWaalsContact CB-CD1 3.49Å
346R97.1Very high94.1Very high11 Ų1156 Ų564%0.04230%0.3CS..Hα-helixtrans-60.3-45.6176.4178.9-176.9-64.1118.52.3112Q342 Q343 R344 V349 K350 L473 F476Q342-R346 WeakPolarHBondContact O-CB 3.42Å; Q342-R346 PolarHBondContact O-N 3.48Å; Q343-R346 WeakPolarHBondContact O-CB 3.22Å; Q343-R346 PolarHBondContact O-N 2.91Å; R344-R346 VanDerWaalsContact C-N 3.33Å; R346-V349 PolarHBondContact O-N 2.85Å; R346-K350 HydrophobicContact CG-CD 4.28Å; R346-K350 HydrophobicContact CG-CG 4.49Å; R346-K350 WeakPolarHBondContact O-CB 3.32Å; R346-K350 WeakPolarHBondContact O-CG 3.3Å; R346-K350 PolarHBondContact O-N 3.38Å; R346-L473 HydrophobicContact CB-CB 4.42Å; R346-L473 PolarHBondContact NE-O 2.93Å; R346-F476 PolarHBondContact NH2-O 3.15Å; R346-F476 VanDerWaalsContact NH2-O 3.13Å
347E97.4Very high93Very high105 Ų10560 Ų6049%0.49133%0.325SS..Hα-helixtrans-62.7-44.5177-73.5166-171.200112.1Q343 R344 V349 K350 S351Q343-E347 WeakPolarHBondContact CG-OE1 3.38Å; Q343-E347 PolarHBondContact NE2-OE1 3.15Å; Q343-E347 WeakPolarHBondContact O-CG 3.42Å; Q343-E347 PolarHBondContact O-N 3.4Å; R344-E347 PolarHBondContact O-N 3.09Å; E347-V349 PolarHBondContact O-N 3.48Å; E347-K350 PolarHBondContact O-N 3.33Å; E347-S351 WeakPolarHBondContact O-CB 3.39Å; E347-S351 PolarHBondContact O-N 3.25Å; E347-S351 PolarHBondContact O-OG 3.48Å
348E97.6Very high92.4Very high27 Ų2761.8 Ų61.813%0.12634%0.339CS..Hα-helixtrans-56.7-52.6174179.5-179.9-109.500110.4R344 C345 K350 S351 I352 M367 P368 Y369 T370R344-E348 PolarHBondContact O-N 2.88Å; C345-E348 PolarHBondContact O-N 3.18Å; E348-K350 PolarHBondContact O-N 2.91Å; E348-S351 PolarHBondContact O-N 3.47Å; E348-S351 VanDerWaalsContact O-N 3.16Å; E348-S351 PolarHBondContact O-OG 3.48Å; E348-I352 HydrophobicContact CG-CD1 3.9Å; E348-I352 WeakPolarHBondContact O-CD1 3.19Å; E348-I352 WeakPolarHBondContact O-CG1 3.48Å; E348-I352 PolarHBondContact O-N 3.29Å; E348-M367 WeakPolarHBondContact OE2-CA 3.27Å; E348-P368 WeakPolarHBondContact OE1-CD 3.44Å; E348-P368 WeakPolarHBondContact OE1-CG 3.46Å; E348-Y369 WeakPolarHBondContact OE1-CA 3.46Å; E348-Y369 WeakPolarHBondContact OE1-CB 3.37Å; E348-Y369 PolarHBondContact OE1-N 2.74Å; E348-Y369 PolarHBondContact OE2-N 2.88Å; E348-T370 WeakPolarHBondContact OE2-CB 3.39Å; E348-T370 PolarHBondContact OE2-N 3.05Å; E348-T370 PolarHBondContact OE2-OG1 3.48Å
349V96.1Very high92Very high0 Ų059.6 Ų59.60%033%0.33CS..Hα-helixtrans-62.4-42.9-178.8174.60000111.7C345 R346 E347 S351 I352 L353 M367 A470 L474C345-V349 WeakPolarHBondContact O-CB 3.5Å; C345-V349 WeakPolarHBondContact O-CG2 3.47Å; C345-V349 PolarHBondContact O-N 3.2Å; R346-V349 PolarHBondContact O-N 2.85Å; E347-V349 PolarHBondContact O-N 3.48Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.01Å; V349-I352 PolarHBondContact O-N 2.79Å; V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.37Å; V349-L353 PolarHBondContact O-N 3.12Å; V349-M367 HydrophobicContact CG2-CE 4.42Å; V349-A470 HydrophobicContact CG1-CB 3.74Å; V349-A470 HydrophobicContact CG2-CB 3.94Å; V349-L474 HydrophobicContact CG1-CD1 3.84Å; V349-L474 HydrophobicContact CG1-CD2 3.96Å; V349-L474 HydrophobicContact CG1-CG 3.7Å
350K94.8Very high91.6Very high101 Ų10158.5 Ų58.544%0.43932%0.322SS..Hα-helixtrans-60.6-38.9175-79.5-173.8176.1-169.80112.1R346 E347 E348 I352 G354 L474R346-K350 HydrophobicContact CG-CD 4.28Å; R346-K350 HydrophobicContact CG-CG 4.49Å; R346-K350 WeakPolarHBondContact O-CB 3.32Å; R346-K350 WeakPolarHBondContact O-CG 3.3Å; R346-K350 PolarHBondContact O-N 3.38Å; E347-K350 PolarHBondContact O-N 3.33Å; E348-K350 PolarHBondContact O-N 2.91Å; K350-I352 VanDerWaalsContact C-N 3.3Å; K350-I352 PolarHBondContact O-N 3.1Å; K350-G354 WeakPolarHBondContact O-CA 3.39Å; K350-G354 PolarHBondContact O-N 2.79Å; K350-L474 HydrophobicContact CB-CD2 4.4Å; K350-L474 HydrophobicContact CG-CD2 3.41Å; K350-L474 VanDerWaalsContact CG-CD2 3.41Å
351S95.5Very high91.2Very high98 Ų9852.8 Ų52.869%0.68530%0.295SS*.Hα-helixtrans-68.8-28.517969.10000113.4E347 E348 V349E347-S351 WeakPolarHBondContact O-CB 3.39Å; E347-S351 PolarHBondContact O-N 3.25Å; E347-S351 PolarHBondContact O-OG 3.48Å; E348-S351 PolarHBondContact O-N 3.47Å; E348-S351 VanDerWaalsContact O-N 3.16Å; E348-S351 PolarHBondContact O-OG 3.48Å; V349-S351 VanDerWaalsContact C-N 3.31Å; V349-S351 PolarHBondContact O-N 3.01Å
352I94.9Very high90.9Very high34 Ų3457 Ų5717%0.17432%0.318CS..Hα-helixtrans-84-46.4179.2-62.2159000111.5E348 V349 K350 H363 Q366 M367E348-I352 HydrophobicContact CG-CD1 3.9Å; E348-I352 WeakPolarHBondContact O-CD1 3.19Å; E348-I352 WeakPolarHBondContact O-CG1 3.48Å; E348-I352 PolarHBondContact O-N 3.29Å; V349-I352 PolarHBondContact O-N 2.79Å; K350-I352 VanDerWaalsContact C-N 3.3Å; K350-I352 PolarHBondContact O-N 3.1Å; I352-H363 HydrophobicContact CG2-CB 3.86Å; I352-Q366 HydrophobicContact CD1-CB 4.05Å; I352-Q366 WeakPolarHBondContact CD1-O 3.34Å; I352-Q366 HydrophobicContact CG1-CB 4.23Å; I352-Q366 HydrophobicContact CG2-CB 4.38Å; I352-M367 HydrophobicContact CD1-CB 4.41Å; I352-M367 HydrophobicContact CD1-CG 3.56Å
353L91.5Very high90.7Very high18 Ų1859.2 Ų59.29%0.09433%0.329CS..Hα-helixtrans-95.3-15.3-172.2-59.6179.9000113.2V349 N355 G356 V359 H363 M367 L474V349-L353 HydrophobicContact CG1-CD1 3.74Å; V349-L353 HydrophobicContact CG1-CG 4.37Å; V349-L353 PolarHBondContact O-N 3.12Å; L353-N355 PolarHBondContact O-N 2.73Å; L353-G356 WeakPolarHBondContact O-CA 3.44Å; L353-G356 PolarHBondContact O-N 2.73Å; L353-V359 HydrophobicContact CD1-CG2 3.84Å; L353-V359 HydrophobicContact CD2-CG2 4.38Å; L353-H363 HydrophobicContact CD2-CB 3.88Å; L353-H363 VanDerWaalsContact CD2-ND1 3.34Å; L353-H363 WeakPolarHBondContact CD2-ND1 3.41Å; L353-M367 HydrophobicContact CD1-CE 4.46Å; L353-L474 HydrophobicContact CB-CD1 4.44Å; L353-L474 HydrophobicContact CD1-CD1 3.85Å
354G82.3Confident90.6Very high37 Ų3755.5 Ų55.538%0.38131%0.311SS..THydrogen-bonded Turntrans58.7-128.5-171.100000111.1K350 G356K350-G354 WeakPolarHBondContact O-CA 3.39Å; K350-G354 PolarHBondContact O-N 2.79Å; G354-G356 VanDerWaalsContact C-N 3.34Å
355N71.5Confident90.3Very high178 Ų17854.1 Ų54.195%0.95231%0.314SS*.THydrogen-bonded Turntrans-91.73.8171.6-65-15.8000112.7L353L353-N355 PolarHBondContact O-N 2.73Å
356G72.4Confident90.2Very high34 Ų3459.5 Ų59.535%0.35134%0.339SS..  trans-80143.5-178.600000112.4L353 G354L353-G356 WeakPolarHBondContact O-CA 3.44Å; L353-G356 PolarHBondContact O-N 2.73Å; G354-G356 VanDerWaalsContact C-N 3.34Å
357T75.3Confident90.2Very high85 Ų8559 Ų5952%0.52134%0.337SS..  trans-96.5-5.3171.754.40000113.1V359T357-V359 PolarHBondContact O-N 3.32Å
358S85.2Confident90.2Very high83 Ų8357.7 Ų57.758%0.5834%0.337SS*.  trans-78.4109.1180-173.50000111.1H363S358-H363 PolarHBondContact O-ND1 3.3Å
359V90.5Very high90.2Very high6 Ų657.4 Ų57.44%0.03634%0.335CS..  trans-97.9130.1175.4-170.90000109.2V157 V161 L353 T357 H363 L364 V467 L471V157-V359 HydrophobicContact CG1-CB 4.36Å; V157-V359 HydrophobicContact CG1-CG1 4.23Å; V157-V359 VanDerWaalsContact CG1-O 3.25Å; V157-V359 WeakPolarHBondContact CG1-O 3.43Å; V161-V359 HydrophobicContact CG2-CB 3.62Å; V161-V359 HydrophobicContact CG2-CG2 3.97Å; L353-V359 HydrophobicContact CD1-CG2 3.84Å; L353-V359 HydrophobicContact CD2-CG2 4.38Å; T357-V359 PolarHBondContact O-N 3.32Å; V359-H363 HydrophobicContact CG1-CB 4.37Å; V359-L364 HydrophobicContact CG1-CD2 3.4Å; V359-L364 VanDerWaalsContact CG1-CD2 3.4Å; V359-L364 HydrophobicContact CG1-CG 4Å; V359-V467 HydrophobicContact CG1-CG2 4.2Å; V359-L471 HydrophobicContact CG2-CD2 3.8Å; V359-L471 HydrophobicContact CG2-CG 4.17Å
360T90.7Very high90.3Very high53 Ų5357.4 Ų57.433%0.32534%0.335SS..  trans-114163.9173.370.90000109.8N362 H363 L364T360-N362 PolarHBondContact O-N 2.94Å; T360-H363 PolarHBondContact N-ND1 3.01Å; T360-H363 VanDerWaalsContact N-ND1 3.18Å; T360-H363 WeakPolarHBondContact O-CB 3.48Å; T360-H363 PolarHBondContact O-N 3.41Å; T360-H363 PolarHBondContact OG1-CD2 3.33Å; T360-H363 VanDerWaalsContact OG1-CG 3.3Å; T360-H363 PolarHBondContact OG1-N 3.13Å; T360-H363 PolarHBondContact OG1-ND1 2.95Å; T360-L364 PolarHBondContact O-N 3.1Å
361L89.5Confident90.5Very high10 Ų1053.4 Ų53.45%0.05232%0.32CS..Hα-helixtrans-57.9-35.6176.5-168.457.8000112.5Y150 K154 V157 H363 L364 D365 N463Y150-L361 HydrophobicContact CD2-CD2 3.91Å; Y150-L361 HydrophobicContact CE1-CD2 4.27Å; Y150-L361 HydrophobicContact CE2-CD2 3.28Å; Y150-L361 HydrophobicContact CE2-CG 4.06Å; Y150-L361 VanDerWaalsContact CZ-CD2 3.47Å; K154-L361 HydrophobicContact CB-CD2 4.48Å; K154-L361 HydrophobicContact CG-CD2 3.55Å; V157-L361 HydrophobicContact CG2-CB 4.15Å; V157-L361 HydrophobicContact CG2-CD1 4.09Å; L361-H363 PolarHBondContact O-N 3.01Å; L361-L364 HydrophobicContact CD1-CD1 4.25Å; L361-L364 WeakPolarHBondContact O-CB 3.48Å; L361-L364 PolarHBondContact O-N 2.75Å; L361-D365 PolarHBondContact O-N 3.13Å; L361-N463 VanDerWaalsContact CD1-ND2 3.27Å; L361-N463 WeakPolarHBondContact CD1-ND2 3.29Å
362N92.5Very high90.7Very high104 Ų10450 Ų5056%0.55629%0.293SS*.Hα-helixtrans-65.7-37.6176.3-68.1-7.8000112T360 L364 D365 Q366T360-N362 PolarHBondContact O-N 2.94Å; N362-L364 VanDerWaalsContact C-N 3.28Å; N362-L364 PolarHBondContact O-N 2.94Å; N362-D365 PolarHBondContact O-N 3.44Å; N362-Q366 WeakPolarHBondContact O-CG 2.97Å; N362-Q366 PolarHBondContact O-N 3.44Å
363H94.6Very high90.8Very high51 Ų5148.5 Ų48.524%0.23629%0.285CS..Hα-helixtrans-62.1-38.7174.4-58.5157.5000111I352 L353 S358 V359 T360 L361 D365 Q366 M367I352-H363 HydrophobicContact CG2-CB 3.86Å; L353-H363 HydrophobicContact CD2-CB 3.88Å; L353-H363 VanDerWaalsContact CD2-ND1 3.34Å; L353-H363 WeakPolarHBondContact CD2-ND1 3.41Å; S358-H363 PolarHBondContact O-ND1 3.3Å; V359-H363 HydrophobicContact CG1-CB 4.37Å; T360-H363 PolarHBondContact N-ND1 3.01Å; T360-H363 VanDerWaalsContact N-ND1 3.18Å; T360-H363 WeakPolarHBondContact O-CB 3.48Å; T360-H363 PolarHBondContact O-N 3.41Å; T360-H363 PolarHBondContact OG1-CD2 3.33Å; T360-H363 VanDerWaalsContact OG1-CG 3.3Å; T360-H363 PolarHBondContact OG1-N 3.13Å; T360-H363 PolarHBondContact OG1-ND1 2.95Å; L361-H363 PolarHBondContact O-N 3.01Å; H363-D365 VanDerWaalsContact C-N 3.29Å; H363-D365 PolarHBondContact O-N 2.59Å; H363-Q366 PolarHBondContact O-N 2.73Å; H363-Q366 VanDerWaalsContact O-N 3.11Å; H363-M367 WeakPolarHBondContact O-CG 3.49Å
364L95.3Very high91.2Very high0 Ų047.7 Ų47.70%028%0.281CS..Hα-helixtrans-64.6-32.6179.3-59.4-174.2000113V157 V359 T360 L361 N362 Q366 M367 N463 K466 V467V157-L364 HydrophobicContact CG1-CD1 4.28Å; V157-L364 HydrophobicContact CG2-CD1 4.17Å; V359-L364 HydrophobicContact CG1-CD2 3.4Å; V359-L364 VanDerWaalsContact CG1-CD2 3.4Å; V359-L364 HydrophobicContact CG1-CG 4Å; T360-L364 PolarHBondContact O-N 3.1Å; L361-L364 HydrophobicContact CD1-CD1 4.25Å; L361-L364 WeakPolarHBondContact O-CB 3.48Å; L361-L364 PolarHBondContact O-N 2.75Å; N362-L364 VanDerWaalsContact C-N 3.28Å; N362-L364 PolarHBondContact O-N 2.94Å; L364-Q366 PolarHBondContact O-N 2.98Å; L364-M367 HydrophobicContact CD2-CE 4.1Å; L364-M367 HydrophobicContact CD2-SD 4.02Å; L364-N463 HydrophobicContact CD1-CB 3.77Å; L364-K466 HydrophobicContact CB-CD 4Å; L364-K466 HydrophobicContact CD2-CB 3.77Å; L364-K466 HydrophobicContact CD2-CD 4.48Å; L364-K466 PolarHBondContact O-NZ 3.49Å; L364-V467 HydrophobicContact CD1-CG2 3.97Å; L364-V467 HydrophobicContact CD2-CG2 3.98Å
365D93.4Very high92Very high102 Ų10248.9 Ų48.955%0.54528%0.276SS..Hα-helixtrans-70.3-22.6176.3-72.3-27.4000112.4L361 N362 H363 M367L361-D365 PolarHBondContact O-N 3.13Å; N362-D365 PolarHBondContact O-N 3.44Å; H363-D365 VanDerWaalsContact C-N 3.29Å; H363-D365 PolarHBondContact O-N 2.59Å; D365-M367 VanDerWaalsContact C-N 3.31Å; D365-M367 PolarHBondContact O-N 3.06Å
366Q95.7Very high93.3Very high113 Ų11340.4 Ų40.453%0.52823%0.231SC..THydrogen-bonded Turntrans-87.410179.7-66174.9-29.600114I352 N362 H363 L364 P368I352-Q366 HydrophobicContact CD1-CB 4.05Å; I352-Q366 WeakPolarHBondContact CD1-O 3.34Å; I352-Q366 HydrophobicContact CG1-CB 4.23Å; I352-Q366 HydrophobicContact CG2-CB 4.38Å; N362-Q366 WeakPolarHBondContact O-CG 2.97Å; N362-Q366 PolarHBondContact O-N 3.44Å; H363-Q366 PolarHBondContact O-N 2.73Å; H363-Q366 VanDerWaalsContact O-N 3.11Å; L364-Q366 PolarHBondContact O-N 2.98Å; Q366-P368 WeakPolarHBondContact O-CD 3.35Å
367M96.9Very high94.5Very high0 Ų038.9 Ų38.90%021%0.214CC..  trans-107.358.7-178.3-61.7173.6-179.100113.5E348 V349 I352 L353 H363 L364 D365 Y369 T371 K466 A470E348-M367 WeakPolarHBondContact OE2-CA 3.27Å; V349-M367 HydrophobicContact CG2-CE 4.42Å; I352-M367 HydrophobicContact CD1-CB 4.41Å; I352-M367 HydrophobicContact CD1-CG 3.56Å; L353-M367 HydrophobicContact CD1-CE 4.46Å; H363-M367 WeakPolarHBondContact O-CG 3.49Å; L364-M367 HydrophobicContact CD2-CE 4.1Å; L364-M367 HydrophobicContact CD2-SD 4.02Å; D365-M367 VanDerWaalsContact C-N 3.31Å; D365-M367 PolarHBondContact O-N 3.06Å; M367-Y369 PolarHBondContact O-N 2.92Å; M367-T371 VanDerWaalsContact O-CB 3.24Å; M367-T371 WeakPolarHBondContact O-CB 3.38Å; M367-T371 PolarHBondContact O-N 2.95Å; M367-T371 PolarHBondContact O-OG1 3.14Å; M367-K466 HydrophobicContact SD-CB 4.47Å; M367-A470 HydrophobicContact CE-CB 3.85Å; M367-A470 HydrophobicContact SD-CB 4.27Å
368P97.3Very high95.6Very high77 Ų7735.1 Ų35.150%0.519%0.191SC..Hα-helixtrans-63.1-40.5-174.626.3-35.2000113.4E348 Q366 T371 M372E348-P368 WeakPolarHBondContact OE1-CD 3.44Å; E348-P368 WeakPolarHBondContact OE1-CG 3.46Å; Q366-P368 WeakPolarHBondContact O-CD 3.35Å; P368-T371 WeakPolarHBondContact O-CB 3.33Å; P368-T371 PolarHBondContact O-N 3.4Å; P368-M372 WeakPolarHBondContact O-CG 3.35Å; P368-M372 PolarHBondContact O-N 2.8Å
369Y98.6Very high96.2Very high22 Ų2231.2 Ų31.29%0.08616%0.164CC..Hα-helixtrans-70.8-46.5-178-171.6-97.9000112.1H341 R344 E348 M367 T371 M372 C373H341-Y369 PolarHBondContact ND1-OH 3.23Å; R344-Y369 HydrophobicContact CB-CD1 3.89Å; R344-Y369 HydrophobicContact CB-CE1 3.33Å; R344-Y369 HydrophobicContact CG-CE1 4.41Å; R344-Y369 VanDerWaalsContact CZ-CZ 3.43Å; R344-Y369 PolarHBondContact NE-OH 2.81Å; R344-Y369 PolarHBondContact NH1-OH 3.15Å; E348-Y369 WeakPolarHBondContact OE1-CA 3.46Å; E348-Y369 WeakPolarHBondContact OE1-CB 3.37Å; E348-Y369 PolarHBondContact OE1-N 2.74Å; E348-Y369 PolarHBondContact OE2-N 2.88Å; M367-Y369 PolarHBondContact O-N 2.92Å; Y369-T371 PolarHBondContact O-N 3.12Å; Y369-M372 HydrophobicContact CD2-CE 3.45Å; Y369-M372 VanDerWaalsContact CD2-CE 3.45Å; Y369-M372 HydrophobicContact CE2-CE 4.16Å; Y369-M372 HydrophobicContact CG-CE 4.24Å; Y369-M372 WeakPolarHBondContact O-CB 3.46Å; Y369-M372 PolarHBondContact O-N 3.43Å; Y369-C373 PolarHBondContact O-N 3.17Å; Y369-C373 PolarHBondContact O-SG 3.37Å
370T98.6Very high96.6Very high0 Ų031.3 Ų31.30%016%0.164CC..Hα-helixtrans-59.3-39.1172.8-54.50000110.3E348 M372 C373 I374 V469E348-T370 WeakPolarHBondContact OE2-CB 3.39Å; E348-T370 PolarHBondContact OE2-N 3.05Å; E348-T370 PolarHBondContact OE2-OG1 3.48Å; T370-M372 VanDerWaalsContact C-N 3.33Å; T370-M372 PolarHBondContact O-N 2.98Å; T370-C373 PolarHBondContact O-N 2.77Å; T370-I374 HydrophobicContact CG2-CD1 4.08Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.27Å; T370-I374 PolarHBondContact O-N 2.89Å; T370-V469 HydrophobicContact CG2-CB 4.32Å; T370-V469 HydrophobicContact CG2-CG1 3.61Å
371T98.6Very high96.9Very high17 Ų1730.3 Ų30.310%0.10415%0.154CC..Hα-helixtrans-61.8-38.6174-59.30000112.4M367 P368 Y369 K375 M462 K466M367-T371 VanDerWaalsContact O-CB 3.24Å; M367-T371 WeakPolarHBondContact O-CB 3.38Å; M367-T371 PolarHBondContact O-N 2.95Å; M367-T371 PolarHBondContact O-OG1 3.14Å; P368-T371 WeakPolarHBondContact O-CB 3.33Å; P368-T371 PolarHBondContact O-N 3.4Å; Y369-T371 PolarHBondContact O-N 3.12Å; T371-K375 HydrophobicContact CG2-CD 4.31Å; T371-K375 VanDerWaalsContact O-CG 3.31Å; T371-K375 WeakPolarHBondContact O-CG 3.47Å; T371-K375 PolarHBondContact O-N 3.37Å; T371-M462 HydrophobicContact CG2-CE 4.43Å; T371-K466 WeakPolarHBondContact OG1-CE 3.46Å; T371-K466 PolarHBondContact OG1-NZ 3.44Å; T371-K466 VanDerWaalsContact OG1-NZ 3.09Å
372M98.6Very high97.3Very high27 Ų2729.9 Ų29.913%0.13315%0.152CC..Hα-helixtrans-64.8-45.2175-70.8-171.1-70.200111.5P368 Y369 T370 I374 K375 E376 P431 F434 A435P368-M372 WeakPolarHBondContact O-CG 3.35Å; P368-M372 PolarHBondContact O-N 2.8Å; Y369-M372 HydrophobicContact CD2-CE 3.45Å; Y369-M372 VanDerWaalsContact CD2-CE 3.45Å; Y369-M372 HydrophobicContact CE2-CE 4.16Å; Y369-M372 HydrophobicContact CG-CE 4.24Å; Y369-M372 WeakPolarHBondContact O-CB 3.46Å; Y369-M372 PolarHBondContact O-N 3.43Å; T370-M372 VanDerWaalsContact C-N 3.33Å; T370-M372 PolarHBondContact O-N 2.98Å; M372-I374 PolarHBondContact O-N 3.28Å; M372-K375 PolarHBondContact O-N 2.9Å; M372-E376 PolarHBondContact O-N 3.5Å; M372-P431 HydrophobicContact CB-CB 3.95Å; M372-F434 HydrophobicContact CB-CB 4.18Å; M372-F434 HydrophobicContact CG-CB 3.89Å; M372-A435 WeakPolarHBondContact SD-CA 3.28Å; M372-A435 HydrophobicContact SD-CB 3.91Å; M372-A435 PolarHBondContact SD-N 3.42Å; M372-A435 VanDerWaalsContact SD-N 3.44Å
373C98.8Very high97.5Very high1 Ų125.6 Ų25.61%0.00713%0.13CC..Hα-helixtrans-62.4-42.2177.4-640000111.9L335 Y369 T370 K375 E376 A377 F429 P431L335-C373 HydrophobicContact CD2-CB 4.12Å; Y369-C373 PolarHBondContact O-N 3.17Å; Y369-C373 PolarHBondContact O-SG 3.37Å; T370-C373 PolarHBondContact O-N 2.77Å; C373-K375 PolarHBondContact O-N 2.95Å; C373-E376 PolarHBondContact O-N 2.98Å; C373-A377 WeakPolarHBondContact O-CB 3.36Å; C373-A377 PolarHBondContact O-N 3.49Å; C373-F429 HydrophobicContact CB-CZ 4.13Å; C373-P431 HydrophobicContact CB-CG 4.48Å; C373-P431 VanDerWaalsContact SG-CG 3.54Å
374I98.9Very high97.6Very high1 Ų126.1 Ų26.11%0.00513%0.134CC..Hα-helixtrans-59.1-47.1173.9-71.7168.4000110.7I331 T370 M372 E376 A377 L378 M462 L465 K466 V469I331-I374 HydrophobicContact CD1-CB 4.43Å; I331-I374 HydrophobicContact CD1-CG1 4.21Å; I331-I374 HydrophobicContact CD1-CG2 3.91Å; I331-I374 HydrophobicContact CG2-CG1 4.26Å; T370-I374 HydrophobicContact CG2-CD1 4.08Å; T370-I374 VanDerWaalsContact O-CG1 3.31Å; T370-I374 WeakPolarHBondContact O-CG1 3.27Å; T370-I374 PolarHBondContact O-N 2.89Å; M372-I374 PolarHBondContact O-N 3.28Å; I374-E376 VanDerWaalsContact C-N 3.31Å; I374-E376 PolarHBondContact O-N 2.89Å; I374-A377 PolarHBondContact O-N 3.37Å; I374-L378 HydrophobicContact CG2-CD1 4.01Å; I374-L378 HydrophobicContact CG2-CG 4.42Å; I374-L378 WeakPolarHBondContact O-CB 3.25Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.37Å; I374-L378 PolarHBondContact O-N 3.2Å; I374-M462 HydrophobicContact CG2-CE 3.92Å; I374-M462 HydrophobicContact CG2-SD 4.43Å; I374-L465 HydrophobicContact CD1-CB 4.35Å; I374-L465 HydrophobicContact CG2-CB 4.36Å; I374-L465 HydrophobicContact CG2-CD1 3.88Å; I374-K466 HydrophobicContact CD1-CB 4.36Å; I374-K466 HydrophobicContact CD1-CG 3.66Å; I374-V469 HydrophobicContact CD1-CG2 4.28Å; I374-V469 HydrophobicContact CG1-CG2 4.27Å
375K98.6Very high97.6Very high63 Ų6326.7 Ų26.727%0.27414%0.137SC..Hα-helixtrans-63.4-38.5179.6-75.4173.3179.8170.50112.2T371 M372 C373 L378 R379 F434 F445T371-K375 HydrophobicContact CG2-CD 4.31Å; T371-K375 VanDerWaalsContact O-CG 3.31Å; T371-K375 WeakPolarHBondContact O-CG 3.47Å; T371-K375 PolarHBondContact O-N 3.37Å; M372-K375 PolarHBondContact O-N 2.9Å; C373-K375 PolarHBondContact O-N 2.95Å; K375-L378 PolarHBondContact O-N 2.9Å; K375-R379 WeakPolarHBondContact O-CB 3.48Å; K375-R379 PolarHBondContact O-N 3.14Å; K375-F434 HydrophobicContact CB-CB 4.45Å; K375-F434 HydrophobicContact CB-CD1 3.92Å; K375-F434 HydrophobicContact CB-CD2 3.65Å; K375-F434 HydrophobicContact CB-CE1 4Å; K375-F434 HydrophobicContact CB-CE2 3.75Å; K375-F434 HydrophobicContact CB-CG 3.72Å; K375-F434 HydrophobicContact CB-CZ 3.92Å; K375-F434 HydrophobicContact CD-CB 4.13Å; K375-F434 HydrophobicContact CD-CD1 3.77Å; K375-F434 HydrophobicContact CD-CE1 4.36Å; K375-F434 HydrophobicContact CD-CG 3.94Å; K375-F434 HydrophobicContact CG-CD1 4.44Å; K375-F445 HydrophobicContact CB-CE1 4.16Å; K375-F445 HydrophobicContact CB-CZ 3.86Å; K375-F445 HydrophobicContact CD-CE1 4.4Å; K375-F445 HydrophobicContact CG-CE1 4.03Å; K375-F445 HydrophobicContact CG-CZ 4.11Å; K375-F445 WeakPolarHBondContact O-CE2 3.46Å; K375-F445 WeakPolarHBondContact O-CZ 3.17Å
376E98.5Very high97.7Very high0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-69.3-40.1177.7-176.664.117700112.3M372 C373 I374 L378 R379 L380 F429 D430 R433 F434M372-E376 PolarHBondContact O-N 3.5Å; C373-E376 PolarHBondContact O-N 2.98Å; I374-E376 VanDerWaalsContact C-N 3.31Å; I374-E376 PolarHBondContact O-N 2.89Å; E376-L378 PolarHBondContact O-N 3.02Å; E376-R379 VanDerWaalsContact CD-NE 3.31Å; E376-R379 WeakPolarHBondContact O-CB 3.32Å; E376-R379 PolarHBondContact O-N 2.79Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 3.96Å; E376-R379 IonicContact OE1-NE 3.48Å; E376-R379 PolarHBondContact OE1-NE 3.26Å; E376-R379 IonicContact OE1-NH2 3.53Å; E376-R379 PolarHBondContact OE1-NH2 3.33Å; E376-R379 WeakPolarHBondContact OE2-CD 3.49Å; E376-R379 IonicContact OE2-CZ 3.15Å; E376-R379 IonicContact OE2-NE 3.38Å; E376-R379 PolarHBondContact OE2-NE 2.92Å; E376-R379 IonicContact OE2-NH2 3.51Å; E376-L380 PolarHBondContact O-N 2.91Å; E376-F429 HydrophobicContact CB-CD2 4.27Å; E376-F429 HydrophobicContact CB-CE2 3.88Å; E376-F429 HydrophobicContact CB-CZ 4.11Å; E376-F429 HydrophobicContact CG-CD1 4.26Å; E376-F429 HydrophobicContact CG-CD2 3.56Å; E376-F429 HydrophobicContact CG-CE1 4.41Å; E376-F429 HydrophobicContact CG-CE2 3.7Å; E376-F429 HydrophobicContact CG-CG 3.86Å; E376-F429 HydrophobicContact CG-CZ 4.14Å; E376-D430 PolarHBondContact OE1-N 3.46Å; E376-R433 IonicContact OE1-NE 3.2Å; E376-F434 HydrophobicContact CB-CD2 4.2Å; E376-F434 HydrophobicContact CB-CE2 4.04Å; E376-F434 VanDerWaalsContact OE2-CE2 3.3Å; E376-F434 WeakPolarHBondContact OE2-CE2 3.16Å
377A98.7Very high97.7Very high1 Ų118.4 Ų18.41%0.00811%0.105CC..Hα-helixtrans-61-44.5171.100000111.5I331 A334 C373 I374 R379 L380 Y381 F429I331-A377 HydrophobicContact CB-CB 4.17Å; I331-A377 HydrophobicContact CG1-CB 3.55Å; A334-A377 HydrophobicContact CB-CB 4.01Å; C373-A377 WeakPolarHBondContact O-CB 3.36Å; C373-A377 PolarHBondContact O-N 3.49Å; I374-A377 PolarHBondContact O-N 3.37Å; A377-R379 PolarHBondContact O-N 2.9Å; A377-L380 PolarHBondContact O-N 3.48Å; A377-Y381 WeakPolarHBondContact O-CA 3.16Å; A377-Y381 WeakPolarHBondContact O-CB 3.49Å; A377-Y381 WeakPolarHBondContact O-CD2 3.46Å; A377-Y381 PolarHBondContact O-N 3.27Å; A377-F429 HydrophobicContact CB-CE2 4.04Å
378L98.6Very high97.6Very high7 Ų719.2 Ų19.24%0.03711%0.111CC..Hα-helixtrans-68.2-17.7176-67.6176.6000113.5I374 K375 E376 P382 P383 P447 F448 M462 L465I374-L378 HydrophobicContact CG2-CD1 4.01Å; I374-L378 HydrophobicContact CG2-CG 4.42Å; I374-L378 WeakPolarHBondContact O-CB 3.25Å; I374-L378 VanDerWaalsContact O-CG 3.29Å; I374-L378 WeakPolarHBondContact O-CG 3.37Å; I374-L378 PolarHBondContact O-N 3.2Å; K375-L378 PolarHBondContact O-N 2.9Å; E376-L378 PolarHBondContact O-N 3.02Å; L378-P382 VanDerWaalsContact O-CA 3.28Å; L378-P382 WeakPolarHBondContact O-CA 3.39Å; L378-P382 WeakPolarHBondContact O-CB 3.23Å; L378-P383 HydrophobicContact CD2-CG 4.02Å; L378-P447 HydrophobicContact CB-CB 4.04Å; L378-P447 HydrophobicContact CD1-CB 4.28Å; L378-F448 HydrophobicContact CD1-CE2 4.38Å; L378-F448 HydrophobicContact CD1-CZ 4.43Å; L378-M462 HydrophobicContact CD1-SD 4.45Å; L378-L465 HydrophobicContact CD1-CD1 3.85Å; L378-L465 HydrophobicContact CD2-CD1 4.41Å
379R97.7Very high97.5Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-77.9-50172.6-175-166.468.473.7-0.9110.8K375 E376 A377 Y381 P382 H417 R423 A426 V428 F434 F445K375-R379 WeakPolarHBondContact O-CB 3.48Å; K375-R379 PolarHBondContact O-N 3.14Å; E376-R379 VanDerWaalsContact CD-NE 3.31Å; E376-R379 WeakPolarHBondContact O-CB 3.32Å; E376-R379 PolarHBondContact O-N 2.79Å; E376-R379 VanDerWaalsContact O-N 3.1Å; E376-R379 IonicContact OE1-CZ 3.96Å; E376-R379 IonicContact OE1-NE 3.48Å; E376-R379 PolarHBondContact OE1-NE 3.26Å; E376-R379 IonicContact OE1-NH2 3.53Å; E376-R379 PolarHBondContact OE1-NH2 3.33Å; E376-R379 WeakPolarHBondContact OE2-CD 3.49Å; E376-R379 IonicContact OE2-CZ 3.15Å; E376-R379 IonicContact OE2-NE 3.38Å; E376-R379 PolarHBondContact OE2-NE 2.92Å; E376-R379 IonicContact OE2-NH2 3.51Å; A377-R379 PolarHBondContact O-N 2.9Å; R379-Y381 VanDerWaalsContact C-N 3.35Å; R379-P382 WeakPolarHBondContact O-CD 3.44Å; R379-H417 HydrophobicContact CG-CB 3.72Å; R379-H417 PolarHBondContact NH1-O 3.31Å; R379-H417 WeakPolarHBondContact O-CB 3.36Å; R379-H417 PolarHBondContact O-ND1 2.74Å; R379-R423 VanDerWaalsContact CD-CD 3.47Å; R379-A426 VanDerWaalsContact CZ-O 3.22Å; R379-A426 PolarHBondContact NH1-O 3.22Å; R379-A426 PolarHBondContact NH2-O 3.42Å; R379-V428 PolarHBondContact NH2-O 3.42Å; R379-F434 HydrophobicContact CB-CZ 4.35Å; R379-F445 HydrophobicContact CB-CD2 4.19Å; R379-F445 HydrophobicContact CB-CE2 3.83Å; R379-F445 HydrophobicContact CG-CD2 4.37Å; R379-F445 HydrophobicContact CG-CE2 4.5Å
380L97.6Very high97.4Very high8 Ų818.2 Ų18.24%0.04210%0.1CC..Hα-helixtrans-68.3-37.6177.7-73.2-179.1000111.9E376 A377 P382 H418 A426 F429E376-L380 PolarHBondContact O-N 2.91Å; A377-L380 PolarHBondContact O-N 3.48Å; L380-P382 VanDerWaalsContact C-CD 3.42Å; L380-P382 WeakPolarHBondContact O-CD 3.22Å; L380-H418 PolarHBondContact O-CE1 2.79Å; L380-H418 PolarHBondContact O-NE2 3.26Å; L380-A426 WeakPolarHBondContact CD2-O 3.45Å; L380-F429 HydrophobicContact CD1-CB 3.88Å; L380-F429 HydrophobicContact CD1-CD2 3.74Å; L380-F429 HydrophobicContact CD1-CG 4.31Å
381Y97.7Very high97.3Very high33 Ų3318.3 Ų18.313%0.12910%0.1CC..SBendtrans-127.863.3-172.4-47.7-72.1000111.2W330 Y333 A334 A377 R379 P383 L488 L494W330-Y381 VanDerWaalsContact CB-CB 3.47Å; W330-Y381 HydrophobicContact CB-CD2 4.02Å; W330-Y381 HydrophobicContact CB-CG 3.87Å; W330-Y381 AromaticContact CD2-CD1 3.99Å; W330-Y381 HydrophobicContact CD2-CD1 3.99Å; W330-Y381 AromaticContact CD2-CG 3.93Å; W330-Y381 HydrophobicContact CD2-CG 3.93Å; W330-Y381 AromaticContact CE3-CD1 3.74Å; W330-Y381 HydrophobicContact CE3-CD1 3.74Å; W330-Y381 HydrophobicContact CE3-CD2 4.44Å; W330-Y381 HydrophobicContact CE3-CE1 4.1Å; W330-Y381 AromaticContact CE3-CG 3.94Å; W330-Y381 HydrophobicContact CE3-CG 3.94Å; W330-Y381 VanDerWaalsContact CG-CB 3.43Å; W330-Y381 HydrophobicContact CG-CD1 4.45Å; W330-Y381 AromaticContact CG-CG 3.92Å; W330-Y381 HydrophobicContact CG-CG 3.92Å; W330-Y381 HydrophobicContact CZ3-CD1 4.15Å; W330-Y381 HydrophobicContact CZ3-CE1 4.26Å; Y333-Y381 HydrophobicContact CD1-CE2 4.5Å; A334-Y381 HydrophobicContact CB-CE2 4.15Å; A377-Y381 WeakPolarHBondContact O-CA 3.16Å; A377-Y381 WeakPolarHBondContact O-CB 3.49Å; A377-Y381 WeakPolarHBondContact O-CD2 3.46Å; A377-Y381 PolarHBondContact O-N 3.27Å; R379-Y381 VanDerWaalsContact C-N 3.35Å; Y381-P383 VanDerWaalsContact O-CD 3.24Å; Y381-P383 WeakPolarHBondContact O-CD 3.49Å; Y381-L488 HydrophobicContact CD1-CD2 3.87Å; Y381-L488 HydrophobicContact CD1-CG 4.41Å; Y381-L488 HydrophobicContact CE1-CD1 4.19Å; Y381-L488 HydrophobicContact CE1-CD2 4.05Å; Y381-L488 HydrophobicContact CE1-CG 4.49Å; Y381-L494 VanDerWaalsContact CA-CD2 3.47Å
382P97.7Very high97.2Very high1 Ų120.4 Ų20.41%0.00612%0.116CC..  trans-65.4120.1179.826.5-33.1000110L378 R379 L380 I384 Y414 L494L378-P382 VanDerWaalsContact O-CA 3.28Å; L378-P382 WeakPolarHBondContact O-CA 3.39Å; L378-P382 WeakPolarHBondContact O-CB 3.23Å; R379-P382 WeakPolarHBondContact O-CD 3.44Å; L380-P382 VanDerWaalsContact C-CD 3.42Å; L380-P382 WeakPolarHBondContact O-CD 3.22Å; P382-I384 PolarHBondContact O-N 3Å; P382-I384 VanDerWaalsContact O-N 3.12Å; P382-Y414 HydrophobicContact CG-CD2 3.91Å; P382-L494 WeakPolarHBondContact O-CB 3.46Å
383P98Very high97.1Very high13 Ų1321.4 Ų21.48%0.08413%0.125CC..SBendtrans-56.6-33.3-177.9-29.937.7000113.4T323 L378 Y381 P385 V493 L494T323-P383 WeakPolarHBondContact O-CB 3.47Å; L378-P383 HydrophobicContact CD2-CG 4.02Å; Y381-P383 VanDerWaalsContact O-CD 3.24Å; Y381-P383 WeakPolarHBondContact O-CD 3.49Å; P383-P385 WeakPolarHBondContact O-CD 3.26Å; P383-V493 HydrophobicContact CB-CG1 4.27Å; P383-V493 CarbonylContact O-C 3.58Å; P383-V493 VanDerWaalsContact O-CA 3.24Å; P383-V493 WeakPolarHBondContact O-CA 3.43Å; P383-V493 VanDerWaalsContact O-CG1 3.3Å; P383-V493 WeakPolarHBondContact O-CG1 3.34Å; P383-L494 PolarHBondContact O-N 3.15Å
384I96.6Very high97.1Very high63 Ų6325.5 Ų25.532%0.32315%0.152SC..SBendtrans-107.2105.2169.6-58.6-58.6000108.1T323 P382 G386 F413 V493T323-I384 HydrophobicContact CG2-CD1 3.79Å; T323-I384 HydrophobicContact CG2-CG1 4.24Å; P382-I384 PolarHBondContact O-N 3Å; P382-I384 VanDerWaalsContact O-N 3.12Å; I384-G386 VanDerWaalsContact C-N 3.26Å; I384-G386 WeakPolarHBondContact CG2-O 3.46Å; I384-G386 PolarHBondContact O-N 3.25Å; I384-F413 HydrophobicContact CG2-CD2 4.46Å; I384-F413 HydrophobicContact CG2-CE2 4.42Å; I384-F413 WeakPolarHBondContact O-CD2 3.47Å; I384-V493 HydrophobicContact CD1-CG2 4.18Å
385P95.5Very high97Very high11 Ų1125.8 Ų25.87%0.07115%0.154CC..  trans-69-21.4-176.9-25.236.9000114.2P383 F413 Y414 L494P383-P385 WeakPolarHBondContact O-CD 3.26Å; P385-F413 WeakPolarHBondContact O-CA 3.48Å; P385-F413 PolarHBondContact O-N 2.9Å; P385-Y414 PolarHBondContact O-N 3.2Å; P385-L494 HydrophobicContact CG-CB 4.16Å; P385-L494 HydrophobicContact CG-CD1 4.36Å
386G94.8Very high97Very high29 Ų2927.3 Ų27.330%0.29917%0.168SC..EExtended strand (participates in β ladder)trans-176.6170.3178.200000114.3I384 L411I384-G386 VanDerWaalsContact C-N 3.26Å; I384-G386 WeakPolarHBondContact CG2-O 3.46Å; I384-G386 PolarHBondContact O-N 3.25Å; G386-L411 CarbonylContact C-O 3.53Å; G386-L411 WeakPolarHBondContact CA-O 3.31Å
387A94.9Very high96.9Very high12 Ų1227.5 Ų27.510%0.09917%0.169CC..EExtended strand (participates in β ladder)trans-140146.8179.700000110.9L411 F413A387-L411 PolarHBondContact N-O 3.48Å; A387-L411 PolarHBondContact O-N 2.71Å; A387-F413 HydrophobicContact CB-CE2 4.03Å; A387-F413 HydrophobicContact CB-CZ 4.05Å
388S94.8Very high96.7Very high17 Ų1731.9 Ų31.912%0.11920%0.197CC..EExtended strand (participates in β ladder)trans-110.7146.7-179.3-58.90000112.7V409 T410S388-V409 CarbonylContact C-O 3.6Å; S388-V409 VanDerWaalsContact CA-O 3.27Å; S388-V409 WeakPolarHBondContact CA-O 3.34Å; S388-T410 PolarHBondContact OG-OG1 3.2Å
389R95.8Very high96.5Very high14 Ų1436 Ų365%0.05322%0.219CC..EExtended strand (participates in β ladder)trans-130.7152.3175.3-61.6-66.4179.9-86.1-4.9110.8I106 D111 P112 V114 V409I106-R389 HydrophobicContact CG2-CG 4.25Å; D111-R389 HydrophobicContact CB-CB 4.27Å; D111-R389 WeakPolarHBondContact O-CD 3.48Å; P112-R389 WeakPolarHBondContact O-CA 3.37Å; P112-R389 WeakPolarHBondContact O-CD 3.21Å; V114-R389 WeakPolarHBondContact CG2-O 3.18Å; R389-V409 HydrophobicContact CB-CG2 3.79Å; R389-V409 PolarHBondContact N-O 3.25Å; R389-V409 PolarHBondContact O-N 2.81Å
390E96Very high96.4Very high65 Ų6538.1 Ų38.130%0.30424%0.242SC..EExtended strand (participates in β ladder)trans-111.5122.3168.6178.5177.9166.700108.2D111 P112 V114 S392 L408D111-E390 WeakPolarHBondContact CB-O 3.47Å; P112-E390 VanDerWaalsContact CD-O 3.27Å; P112-E390 WeakPolarHBondContact CD-O 3.48Å; P112-E390 HydrophobicContact CG-CB 4.44Å; P112-E390 PolarHBondContact O-N 3.08Å; V114-E390 HydrophobicContact CG2-CB 4.47Å; E390-S392 PolarHBondContact O-N 2.6Å; E390-L408 HydrophobicContact CB-CD2 3.85Å; E390-L408 HydrophobicContact CG-CD2 3.87Å
391L97.1Very high96.3Very high1 Ų138.8 Ų38.81%0.00525%0.247CC..  trans-68.2119.3-172.1-60.3-179.1000111.3I106 S393 V395 L403 G406 F407 V409I106-L391 HydrophobicContact CD1-CD2 3.9Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.9Å; L391-V395 HydrophobicContact CD1-CB 4.47Å; L391-V395 HydrophobicContact CD1-CG1 3.55Å; L391-V395 HydrophobicContact CD2-CG1 4.39Å; L391-L403 HydrophobicContact CD1-CB 3.65Å; L391-L403 HydrophobicContact CD1-CD1 4.26Å; L391-G406 PolarHBondContact O-N 3.08Å; L391-F407 HydrophobicContact CD1-CB 4.09Å; L391-F407 WeakPolarHBondContact CG-O 3.19Å; L391-F407 PolarHBondContact N-O 3.34Å; L391-V409 HydrophobicContact CD1-CG1 4.29Å; L391-V409 HydrophobicContact CD2-CG1 4.28Å; L391-V409 HydrophobicContact CD2-CG2 4.12Å; L391-V409 HydrophobicContact CG-CG1 4.31Å
392S96.1Very high96.3Very high62 Ų6239.2 Ų39.243%0.43425%0.254SS..SBendtrans-77.7-17.917969.40000113.4D111 E390 K405D111-S392 PolarHBondContact OD1-N 3.19Å; D111-S392 PolarHBondContact OD1-OG 3.45Å; E390-S392 PolarHBondContact O-N 2.6Å; S392-K405 VanDerWaalsContact O-CD 3.3Å; S392-K405 WeakPolarHBondContact O-CD 3.24Å; S392-K405 VanDerWaalsContact O-CE 3.29Å; S392-K405 WeakPolarHBondContact O-CE 3.41Å; S392-K405 WeakPolarHBondContact O-CG 3.46Å
393S97.4Very high96.2Very high48 Ų4839.2 Ų39.234%0.33626%0.255SS..SBendtrans-147.7162.5174.961.50000109.7R109 L391R109-S393 PolarHBondContact NH1-OG 3.49Å; R109-S393 VanDerWaalsContact NH1-OG 3.15Å; R109-S393 PolarHBondContact NH2-O 3.26Å; R109-S393 PolarHBondContact NH2-OG 2.88Å; L391-S393 VanDerWaalsContact C-N 3.3Å; L391-S393 PolarHBondContact O-N 2.9Å
394P97.7Very high96.2Very high87 Ų8740.3 Ų40.357%0.56526%0.262SS*.  trans-55.1153.8174-23.535000112.2R109 L403 K405R109-P394 PolarHBondContact NH1-O 3.44Å; P394-L403 WeakPolarHBondContact CA-O 3.08Å; P394-K405 HydrophobicContact CG-CB 4.47Å
395V97.8Very high96.2Very high6 Ų644 Ų444%0.03628%0.276CS..EExtended strand (participates in β ladder)trans-135.8142.1177.569.70000110.1V105 I106 L391 F397 S402 L403V105-V395 HydrophobicContact CG1-CG2 3.38Å; I106-V395 HydrophobicContact CD1-CG1 4.45Å; I106-V395 HydrophobicContact CD1-CG2 4.31Å; L391-V395 HydrophobicContact CD1-CB 4.47Å; L391-V395 HydrophobicContact CD1-CG1 3.55Å; L391-V395 HydrophobicContact CD2-CG1 4.39Å; V395-F397 HydrophobicContact CG1-CE2 4.12Å; V395-F397 HydrophobicContact CG1-CZ 3.95Å; V395-F397 HydrophobicContact CG2-CE1 4.44Å; V395-S402 CarbonylContact O-C 3.59Å; V395-S402 VanDerWaalsContact O-CA 3.23Å; V395-S402 WeakPolarHBondContact O-CA 3.05Å; V395-S402 WeakPolarHBondContact O-CB 3.28Å; V395-L403 HydrophobicContact CG1-CB 3.92Å; V395-L403 PolarHBondContact N-O 3.43Å; V395-L403 PolarHBondContact O-N 2.86Å
396T97.9Very high96.1Very high95 Ų9544.9 Ų44.958%0.58329%0.286SS*.EExtended strand (participates in β ladder)trans-120.6130.1170.9-55.40000107.9C401T396-C401 CarbonylContact C-O 3.54Å; T396-C401 WeakPolarHBondContact CA-O 3.39Å
397F96.8Very high96.1Very high5 Ų543.7 Ų43.72%0.02227%0.273CS..  trans-89163.6178-60.7-71.7000110.8F51 I97 Y102 V105 I106 V395 D399 G400 C401 L403F51-F397 HydrophobicContact CE1-CD2 4.24Å; F51-F397 HydrophobicContact CE1-CE2 4.18Å; F51-F397 HydrophobicContact CZ-CD2 4.13Å; F51-F397 AromaticContact CZ-CE2 3.96Å; F51-F397 HydrophobicContact CZ-CE2 3.96Å; I97-F397 HydrophobicContact CD1-CE1 4.25Å; I97-F397 HydrophobicContact CD1-CZ 4.01Å; Y102-F397 HydrophobicContact CD1-CB 4.14Å; Y102-F397 AromaticContact CD1-CD1 3.24Å; Y102-F397 HydrophobicContact CD1-CD1 3.24Å; Y102-F397 AromaticContact CD1-CD2 3.76Å; Y102-F397 HydrophobicContact CD1-CD2 3.76Å; Y102-F397 AromaticContact CD1-CE1 3.38Å; Y102-F397 HydrophobicContact CD1-CE1 3.38Å; Y102-F397 AromaticContact CD1-CE2 3.89Å; Y102-F397 HydrophobicContact CD1-CE2 3.89Å; Y102-F397 AromaticContact CD1-CG 3.44Å; Y102-F397 HydrophobicContact CD1-CG 3.44Å; Y102-F397 VanDerWaalsContact CD1-CG 3.44Å; Y102-F397 AromaticContact CD1-CZ 3.71Å; Y102-F397 HydrophobicContact CD1-CZ 3.71Å; Y102-F397 HydrophobicContact CD2-CB 4.18Å; Y102-F397 HydrophobicContact CD2-CD1 4.21Å; Y102-F397 HydrophobicContact CD2-CG 4.31Å; Y102-F397 HydrophobicContact CE1-CB 3.72Å; Y102-F397 AromaticContact CE1-CD1 3.61Å; Y102-F397 HydrophobicContact CE1-CD1 3.61Å; Y102-F397 AromaticContact CE1-CD2 3.26Å; Y102-F397 HydrophobicContact CE1-CD2 3.26Å; Y102-F397 AromaticContact CE1-CE1 3.97Å; Y102-F397 HydrophobicContact CE1-CE1 3.97Å; Y102-F397 AromaticContact CE1-CE2 3.66Å; Y102-F397 HydrophobicContact CE1-CE2 3.66Å; Y102-F397 AromaticContact CE1-CG 3.22Å; Y102-F397 HydrophobicContact CE1-CG 3.22Å; Y102-F397 AromaticContact CE1-CZ 3.99Å; Y102-F397 HydrophobicContact CE1-CZ 3.99Å; Y102-F397 HydrophobicContact CE2-CB 3.75Å; Y102-F397 HydrophobicContact CE2-CD1 4.49Å; Y102-F397 HydrophobicContact CE2-CG 4.13Å; Y102-F397 HydrophobicContact CG-CB 4.36Å; Y102-F397 AromaticContact CG-CD1 3.58Å; Y102-F397 HydrophobicContact CG-CD1 3.58Å; Y102-F397 AromaticContact CG-CE1 3.98Å; Y102-F397 HydrophobicContact CG-CE1 3.98Å; Y102-F397 AromaticContact CG-CG 3.99Å; Y102-F397 HydrophobicContact CG-CG 3.99Å; Y102-F397 AromaticContact CZ-CD2 3.86Å; Y102-F397 AromaticContact CZ-CG 3.61Å; V105-F397 HydrophobicContact CB-CD1 4.31Å; V105-F397 HydrophobicContact CG1-CD1 4.33Å; V105-F397 HydrophobicContact CG1-CE1 4.43Å; I106-F397 HydrophobicContact CD1-CE1 3.83Å; I106-F397 HydrophobicContact CD1-CZ 4Å; I106-F397 HydrophobicContact CG1-CE1 4Å; I106-F397 HydrophobicContact CG1-CZ 4.43Å; V395-F397 HydrophobicContact CG1-CE2 4.12Å; V395-F397 HydrophobicContact CG1-CZ 3.95Å; V395-F397 HydrophobicContact CG2-CE1 4.44Å; F397-D399 PolarHBondContact O-N 3.08Å; F397-D399 VanDerWaalsContact O-N 3.12Å; F397-G400 PolarHBondContact O-N 3.38Å; F397-C401 HydrophobicContact CD2-CB 4.3Å; F397-C401 WeakPolarHBondContact CD2-O 3.42Å; F397-C401 PolarHBondContact N-O 2.95Å; F397-L403 HydrophobicContact CE2-CD1 3.93Å; F397-L403 HydrophobicContact CE2-CG 4.21Å; F397-L403 HydrophobicContact CZ-CD1 4.22Å
398P95Very high96Very high92 Ų9244.9 Ų44.960%0.59728%0.277SS*.THydrogen-bonded Turntrans-61.1-22.3-173.7-29.740.3000115.8D101 V105 G400D101-P398 HydrophobicContact CB-CG 4.18Å; V105-P398 HydrophobicContact CG2-CG 4.46Å; P398-G400 VanDerWaalsContact C-N 3.27Å
399D94.4Very high96.1Very high93 Ų9344 Ų4450%0.49727%0.272SS..THydrogen-bonded Turntrans-85.85.817561.50.9000113.5Y102 F397 C401Y102-D399 WeakPolarHBondContact CE2-OD2 3.4Å; Y102-D399 PolarHBondContact OH-OD1 3.14Å; Y102-D399 PolarHBondContact OH-OD2 3.2Å; F397-D399 PolarHBondContact O-N 3.08Å; F397-D399 VanDerWaalsContact O-N 3.12Å; D399-C401 VanDerWaalsContact C-N 3.3Å; D399-C401 PolarHBondContact O-N 3.32Å; D399-C401 VanDerWaalsContact OD1-CB 3.31Å; D399-C401 WeakPolarHBondContact OD1-CB 3.29Å; D399-C401 PolarHBondContact OD1-N 3.1Å
400G95.1Very high96.1Very high46 Ų4644.1 Ų44.147%0.47427%0.274SS..SBendtrans86.2-8.7-179.200000114.4F397 P398F397-G400 PolarHBondContact O-N 3.38Å; P398-G400 VanDerWaalsContact C-N 3.27Å
401C95.4Very high96.1Very high21 Ų2141 Ų4114%0.14226%0.259CS..  trans-63.1141.9175.8-670000110.5Q50 F51 Y102 T396 F397 D399Q50-C401 HydrophobicContact CB-CB 4.47Å; F51-C401 HydrophobicContact CE1-CB 3.78Å; F51-C401 HydrophobicContact CZ-CB 3.77Å; Y102-C401 WeakPolarHBondContact OH-CB 3.29Å; T396-C401 CarbonylContact C-O 3.54Å; T396-C401 WeakPolarHBondContact CA-O 3.39Å; F397-C401 HydrophobicContact CD2-CB 4.3Å; F397-C401 WeakPolarHBondContact CD2-O 3.42Å; F397-C401 PolarHBondContact N-O 2.95Å; D399-C401 VanDerWaalsContact C-N 3.3Å; D399-C401 PolarHBondContact O-N 3.32Å; D399-C401 VanDerWaalsContact OD1-CB 3.31Å; D399-C401 WeakPolarHBondContact OD1-CB 3.29Å; D399-C401 PolarHBondContact OD1-N 3.1Å
402S96.7Very high96.1Very high42 Ų4241.2 Ų41.229%0.29426%0.26SS..EExtended strand (participates in β ladder)trans-133.4149.2-176.255.70000113.7Q50 V395Q50-S402 PolarHBondContact NE2-OG 3.2Å; Q50-S402 PolarHBondContact OE1-OG 2.94Å; V395-S402 CarbonylContact O-C 3.59Å; V395-S402 VanDerWaalsContact O-CA 3.23Å; V395-S402 WeakPolarHBondContact O-CA 3.05Å; V395-S402 WeakPolarHBondContact O-CB 3.28Å
403L97.5Very high96.2Very high2 Ų238.6 Ų38.61%0.0124%0.241CC..EExtended strand (participates in β ladder)trans-127138.8172.3-70.7171.2000110.6F51 V95 L391 P394 V395 F397 F407 V409F51-L403 HydrophobicContact CD2-CD2 4.09Å; F51-L403 HydrophobicContact CE2-CD1 4.42Å; F51-L403 HydrophobicContact CE2-CD2 3.38Å; F51-L403 HydrophobicContact CE2-CG 3.69Å; F51-L403 HydrophobicContact CZ-CD1 4.24Å; F51-L403 HydrophobicContact CZ-CD2 3.99Å; F51-L403 HydrophobicContact CZ-CG 3.75Å; V95-L403 HydrophobicContact CB-CD1 4.14Å; V95-L403 HydrophobicContact CG2-CD1 3.85Å; V95-L403 HydrophobicContact CG2-CD2 3.96Å; V95-L403 HydrophobicContact CG2-CG 4.5Å; L391-L403 HydrophobicContact CD1-CB 3.65Å; L391-L403 HydrophobicContact CD1-CD1 4.26Å; P394-L403 WeakPolarHBondContact CA-O 3.08Å; V395-L403 HydrophobicContact CG1-CB 3.92Å; V395-L403 PolarHBondContact N-O 3.43Å; V395-L403 PolarHBondContact O-N 2.86Å; F397-L403 HydrophobicContact CE2-CD1 3.93Å; F397-L403 HydrophobicContact CE2-CG 4.21Å; F397-L403 HydrophobicContact CZ-CD1 4.22Å; L403-F407 HydrophobicContact CB-CB 4.37Å; L403-F407 HydrophobicContact CD1-CD1 4.18Å; L403-F407 HydrophobicContact CD2-CD1 3.86Å; L403-F407 HydrophobicContact CD2-CD2 4.25Å; L403-F407 HydrophobicContact CD2-CE1 4.11Å; L403-F407 HydrophobicContact CD2-CE2 4.45Å; L403-F407 HydrophobicContact CD2-CG 3.97Å; L403-F407 HydrophobicContact CD2-CZ 4.42Å; L403-V409 HydrophobicContact CD1-CG1 3.69Å
404P96.7Very high96.1Very high36 Ų3637 Ų3723%0.23423%0.228CC..  trans-74.2166.7178.232.6-37000112.3W43 F407W43-P404 HydrophobicContact CH2-CG 4.17Å; W43-P404 HydrophobicContact CZ2-CB 4.06Å; W43-P404 HydrophobicContact CZ2-CG 3.4Å; P404-F407 HydrophobicContact CG-CB 4.47Å; P404-F407 HydrophobicContact CG-CD2 4.16Å; P404-F407 WeakPolarHBondContact O-CB 3.2Å; P404-F407 PolarHBondContact O-N 2.83Å
405K96.3Very high96Very high141 Ų14132.9 Ų32.961%0.61320%0.201SC*.THydrogen-bonded Turntrans-54.4145.5166.6176.5177.7177.8-177.70111S392 P394 F407S392-K405 VanDerWaalsContact O-CD 3.3Å; S392-K405 WeakPolarHBondContact O-CD 3.24Å; S392-K405 VanDerWaalsContact O-CE 3.29Å; S392-K405 WeakPolarHBondContact O-CE 3.41Å; S392-K405 WeakPolarHBondContact O-CG 3.46Å; P394-K405 HydrophobicContact CG-CB 4.47Å; K405-F407 PolarHBondContact O-N 3.04Å
406G93.2Very high96Very high29 Ų2932.6 Ų32.630%0.29920%0.199SC..THydrogen-bonded Turntrans81.1-4.2178.700000113.8L391L391-G406 PolarHBondContact O-N 3.08Å
407F94.9Very high96Very high3 Ų328 Ų281%0.01317%0.172CC..  trans-72.2147177.2-148.2-83.5000111.5W43 L44 L48 A93 V95 L391 L403 P404 K405W43-F407 AromaticContact CH2-CD2 3.94Å; W43-F407 HydrophobicContact CH2-CD2 3.94Å; W43-F407 HydrophobicContact CZ3-CD2 4.3Å; L44-F407 HydrophobicContact CD2-CD2 4.33Å; L44-F407 HydrophobicContact CD2-CE2 3.56Å; L44-F407 HydrophobicContact CD2-CZ 4.01Å; L48-F407 HydrophobicContact CD1-CZ 3.91Å; L48-F407 HydrophobicContact CD2-CE1 3.81Å; L48-F407 HydrophobicContact CD2-CE2 4.16Å; L48-F407 HydrophobicContact CD2-CZ 3.3Å; L48-F407 HydrophobicContact CG-CE2 4.13Å; L48-F407 HydrophobicContact CG-CZ 3.62Å; A93-F407 HydrophobicContact CB-CZ 4.48Å; V95-F407 HydrophobicContact CG2-CD1 4.48Å; V95-F407 HydrophobicContact CG2-CE1 3.91Å; L391-F407 HydrophobicContact CD1-CB 4.09Å; L391-F407 WeakPolarHBondContact CG-O 3.19Å; L391-F407 PolarHBondContact N-O 3.34Å; L403-F407 HydrophobicContact CB-CB 4.37Å; L403-F407 HydrophobicContact CD1-CD1 4.18Å; L403-F407 HydrophobicContact CD2-CD1 3.86Å; L403-F407 HydrophobicContact CD2-CD2 4.25Å; L403-F407 HydrophobicContact CD2-CE1 4.11Å; L403-F407 HydrophobicContact CD2-CE2 4.45Å; L403-F407 HydrophobicContact CD2-CG 3.97Å; L403-F407 HydrophobicContact CD2-CZ 4.42Å; P404-F407 HydrophobicContact CG-CB 4.47Å; P404-F407 HydrophobicContact CG-CD2 4.16Å; P404-F407 WeakPolarHBondContact O-CB 3.2Å; P404-F407 PolarHBondContact O-N 2.83Å; K405-F407 PolarHBondContact O-N 3.04Å
408L94Very high95.9Very high37 Ų3728.8 Ų28.819%0.19418%0.175CC..EExtended strand (participates in β ladder)trans-95.6128179.2-52-175.2000110.8R94 V95 V114 E390R94-L408 VanDerWaalsContact CA-O 3.24Å; R94-L408 WeakPolarHBondContact CA-O 3.22Å; R94-L408 HydrophobicContact CB-CB 4.18Å; R94-L408 WeakPolarHBondContact CB-O 3.43Å; V95-L408 PolarHBondContact N-O 2.97Å; V114-L408 HydrophobicContact CG1-CD1 4.11Å; V114-L408 HydrophobicContact CG1-CD2 4Å; V114-L408 HydrophobicContact CG2-CD2 3.96Å; E390-L408 HydrophobicContact CB-CD2 3.85Å; E390-L408 HydrophobicContact CG-CD2 3.87Å
409V95.9Very high95.9Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-119.5143.9174.5-59.60000110.5V95 I97 I106 S388 R389 L391 L403V95-V409 CarbonylContact O-C 3.59Å; V95-V409 WeakPolarHBondContact O-CA 3.48Å; I97-V409 HydrophobicContact CD1-CB 4.09Å; I97-V409 HydrophobicContact CD1-CG1 4.26Å; I106-V409 HydrophobicContact CD1-CG2 4.46Å; I106-V409 HydrophobicContact CG2-CG2 4.05Å; S388-V409 CarbonylContact C-O 3.6Å; S388-V409 VanDerWaalsContact CA-O 3.27Å; S388-V409 WeakPolarHBondContact CA-O 3.34Å; R389-V409 HydrophobicContact CB-CG2 3.79Å; R389-V409 PolarHBondContact N-O 3.25Å; R389-V409 PolarHBondContact O-N 2.81Å; L391-V409 HydrophobicContact CD1-CG1 4.29Å; L391-V409 HydrophobicContact CD2-CG1 4.28Å; L391-V409 HydrophobicContact CD2-CG2 4.12Å; L391-V409 HydrophobicContact CG-CG1 4.31Å; L403-V409 HydrophobicContact CD1-CG1 3.69Å
410T95.6Very high95.8Very high15 Ų1523.1 Ų23.19%0.09214%0.143CC..EExtended strand (participates in β ladder)trans-118.5118.2174.3-63.70000109.2R94 V95 V96 I97 S388 S412R94-T410 VanDerWaalsContact CD-OG1 3.29Å; R94-T410 WeakPolarHBondContact CD-OG1 3.44Å; R94-T410 PolarHBondContact NH1-OG1 2.78Å; V95-T410 PolarHBondContact O-N 3.02Å; V96-T410 CarbonylContact C-O 3.34Å; V96-T410 WeakPolarHBondContact CA-O 3.5Å; I97-T410 PolarHBondContact N-O 3.03Å; S388-T410 PolarHBondContact OG-OG1 3.2Å; T410-S412 PolarHBondContact O-N 3.46Å
411L97.1Very high95.7Very high0 Ų027.4 Ų27.40%015%0.145CC..EExtended strand (participates in β ladder)trans-81.2105.7171.3-52.3-179.1000107.7I97 M103 I106 L107 G386 A387 F413I97-L411 HydrophobicContact CB-CD2 4.31Å; I97-L411 HydrophobicContact CD1-CD2 4.4Å; I97-L411 HydrophobicContact CG2-CD2 4.47Å; M103-L411 HydrophobicContact CE-CB 4.06Å; M103-L411 HydrophobicContact SD-CB 3.82Å; M103-L411 HydrophobicContact SD-CD1 4.46Å; M103-L411 HydrophobicContact SD-CD2 3.74Å; M103-L411 HydrophobicContact SD-CG 4.2Å; I106-L411 HydrophobicContact CB-CD2 3.96Å; I106-L411 HydrophobicContact CG1-CD2 4.34Å; I106-L411 HydrophobicContact CG2-CD1 4.21Å; I106-L411 HydrophobicContact CG2-CD2 3.84Å; I106-L411 HydrophobicContact CG2-CG 4.41Å; L107-L411 HydrophobicContact CD2-CD1 3.46Å; L107-L411 VanDerWaalsContact CD2-CD1 3.46Å; L107-L411 HydrophobicContact CG-CD1 3.95Å; G386-L411 CarbonylContact C-O 3.53Å; G386-L411 WeakPolarHBondContact CA-O 3.31Å; A387-L411 PolarHBondContact N-O 3.48Å; A387-L411 PolarHBondContact O-N 2.71Å; L411-F413 HydrophobicContact CB-CD1 4.46Å; L411-F413 HydrophobicContact CB-CE1 3.84Å; L411-F413 HydrophobicContact CB-CZ 4.28Å; L411-F413 HydrophobicContact CD1-CE1 4.46Å; L411-F413 PolarHBondContact O-N 3.25Å
412S96.8Very high95.5Very high5 Ų528 Ų284%0.03515%0.147CC..EExtended strand (participates in β ladder)trans-87.596.3176.2-176.90000109.3I97 T410 G415 L416I97-S412 PolarHBondContact O-N 2.89Å; T410-S412 PolarHBondContact O-N 3.46Å; S412-G415 WeakPolarHBondContact OG-CA 3.47Å; S412-G415 PolarHBondContact OG-N 3.3Å; S412-L416 VanDerWaalsContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CB 3.38Å; S412-L416 PolarHBondContact O-N 3.1Å
413F97.6Very high95.1Very high8 Ų827.3 Ų27.34%0.03514%0.138CC..Hα-helixtrans-68.2-40.6175.3-54.3-39.7000110.6M103 I384 P385 A387 L411 L416 H417 L446M103-F413 HydrophobicContact CE-CD1 4.49Å; M103-F413 HydrophobicContact SD-CE1 4.48Å; I384-F413 HydrophobicContact CG2-CD2 4.46Å; I384-F413 HydrophobicContact CG2-CE2 4.42Å; I384-F413 WeakPolarHBondContact O-CD2 3.47Å; P385-F413 WeakPolarHBondContact O-CA 3.48Å; P385-F413 PolarHBondContact O-N 2.9Å; A387-F413 HydrophobicContact CB-CE2 4.03Å; A387-F413 HydrophobicContact CB-CZ 4.05Å; L411-F413 HydrophobicContact CB-CD1 4.46Å; L411-F413 HydrophobicContact CB-CE1 3.84Å; L411-F413 HydrophobicContact CB-CZ 4.28Å; L411-F413 HydrophobicContact CD1-CE1 4.46Å; L411-F413 PolarHBondContact O-N 3.25Å; F413-L416 WeakPolarHBondContact O-CB 3.28Å; F413-L416 PolarHBondContact O-N 2.88Å; F413-H417 WeakPolarHBondContact O-CB 3.25Å; F413-H417 PolarHBondContact O-CD2 2.99Å; F413-H417 PolarHBondContact O-N 3.33Å; F413-L446 HydrophobicContact CD1-CB 3.99Å; F413-L446 HydrophobicContact CD1-CD1 4.09Å; F413-L446 HydrophobicContact CE1-CB 4.29Å; F413-L446 HydrophobicContact CE1-CD1 4.06Å
414Y96.4Very high94.7Very high14 Ų1431.5 Ų31.56%0.05517%0.165CC..Hα-helixtrans-59.6-48.5175-173.7-97.1000111.8L70 I73 L74 P382 P385 L416 H417 H418 L488L70-Y414 HydrophobicContact CB-CE1 4Å; L70-Y414 HydrophobicContact CD2-CD1 3.54Å; L70-Y414 HydrophobicContact CD2-CD2 4.08Å; L70-Y414 HydrophobicContact CD2-CE1 3.73Å; L70-Y414 HydrophobicContact CD2-CE2 4.28Å; L70-Y414 HydrophobicContact CD2-CG 3.72Å; L70-Y414 HydrophobicContact CG-CE1 4.37Å; I73-Y414 HydrophobicContact CG2-CD1 4.25Å; L74-Y414 HydrophobicContact CD1-CE1 4.19Å; L74-Y414 HydrophobicContact CD2-CD1 4.31Å; L74-Y414 HydrophobicContact CD2-CE1 3.65Å; L74-Y414 HydrophobicContact CG-CE1 3.84Å; P382-Y414 HydrophobicContact CG-CD2 3.91Å; P385-Y414 PolarHBondContact O-N 3.2Å; Y414-L416 PolarHBondContact O-N 2.85Å; Y414-H417 PolarHBondContact O-N 3.43Å; Y414-H418 AromaticContact CD2-CE1 3.6Å; Y414-H418 AromaticContact CD2-ND1 3.77Å; Y414-H418 AromaticContact CE2-CE1 3.22Å; Y414-H418 WeakPolarHBondContact CE2-CE1 3.26Å; Y414-H418 AromaticContact CE2-ND1 3.67Å; Y414-H418 AromaticContact CE2-NE2 3.86Å; Y414-H418 AromaticContact CG-ND1 4Å; Y414-H418 AromaticContact CZ-CE1 3.64Å; Y414-H418 AromaticContact CZ-ND1 3.82Å; Y414-H418 AromaticContact CZ-NE2 3.98Å; Y414-H418 PolarHBondContact O-N 2.96Å; Y414-H418 VanDerWaalsContact O-N 3.08Å; Y414-H418 PolarHBondContact O-ND1 2.83Å; Y414-L488 HydrophobicContact CE2-CD2 4.33Å
415G96Very high94.5Very high0 Ų034.8 Ų34.80%018%0.181CC..Hα-helixtrans-63.6-39.3177.100000112.8S412 H417 H418 N419S412-G415 WeakPolarHBondContact OG-CA 3.47Å; S412-G415 PolarHBondContact OG-N 3.3Å; G415-H417 VanDerWaalsContact C-N 3.33Å; G415-H417 PolarHBondContact O-N 3.16Å; G415-H418 CarbonylContact O-C 3.3Å; G415-H418 PolarHBondContact O-N 3.38Å; G415-N419 WeakPolarHBondContact O-CB 3.45Å; G415-N419 PolarHBondContact O-N 3.14Å
416L97.3Very high94.4Very high0 Ų028.3 Ų28.30%015%0.153CC..Hα-helixtrans-62.4-41.7175.3174.776.6000111.6Y98 P100 M103 S412 F413 Y414 H418 L422 H443 L446Y98-L416 VanDerWaalsContact O-CD1 3.29Å; Y98-L416 WeakPolarHBondContact O-CD1 3.42Å; P100-L416 HydrophobicContact CG-CD1 3.98Å; M103-L416 HydrophobicContact CE-CB 4.2Å; M103-L416 HydrophobicContact CE-CD2 4.28Å; M103-L416 HydrophobicContact CG-CD1 4.44Å; M103-L416 HydrophobicContact CG-CD2 4.42Å; S412-L416 VanDerWaalsContact O-CB 3.26Å; S412-L416 WeakPolarHBondContact O-CB 3.38Å; S412-L416 PolarHBondContact O-N 3.1Å; F413-L416 WeakPolarHBondContact O-CB 3.28Å; F413-L416 PolarHBondContact O-N 2.88Å; Y414-L416 PolarHBondContact O-N 2.85Å; L416-H418 VanDerWaalsContact C-N 3.31Å; L416-L422 HydrophobicContact CD1-CD1 3.7Å; L416-H443 VanDerWaalsContact CD2-O 3.28Å; L416-H443 WeakPolarHBondContact CD2-O 3.35Å; L416-L446 HydrophobicContact CD2-CB 4.35Å; L416-L446 HydrophobicContact CD2-CD1 3.63Å; L416-L446 HydrophobicContact CD2-CG 3.98Å
417H96.9Very high94.4Very high0 Ų033 Ų330%017%0.168CC..Hα-helixtrans-74.5-24.2-176-69.7-175.4000112.7R379 F413 Y414 G415 L446R379-H417 HydrophobicContact CG-CB 3.72Å; R379-H417 PolarHBondContact NH1-O 3.31Å; R379-H417 WeakPolarHBondContact O-CB 3.36Å; R379-H417 PolarHBondContact O-ND1 2.74Å; F413-H417 WeakPolarHBondContact O-CB 3.25Å; F413-H417 PolarHBondContact O-CD2 2.99Å; F413-H417 PolarHBondContact O-N 3.33Å; Y414-H417 PolarHBondContact O-N 3.43Å; G415-H417 VanDerWaalsContact C-N 3.33Å; G415-H417 PolarHBondContact O-N 3.16Å; H417-L446 PolarHBondContact NE2-N 2.8Å
418H95.8Very high94.5Very high21 Ų2136.3 Ų36.310%0.09719%0.188CC..THydrogen-bonded Turntrans-105.512.6177.6-63.278.7000113.7L74 L380 Y414 G415 L416 P420L74-H418 HydrophobicContact CD2-CB 3.39Å; L380-H418 PolarHBondContact O-CE1 2.79Å; L380-H418 PolarHBondContact O-NE2 3.26Å; Y414-H418 AromaticContact CD2-CE1 3.6Å; Y414-H418 AromaticContact CD2-ND1 3.77Å; Y414-H418 AromaticContact CE2-CE1 3.22Å; Y414-H418 WeakPolarHBondContact CE2-CE1 3.26Å; Y414-H418 AromaticContact CE2-ND1 3.67Å; Y414-H418 AromaticContact CE2-NE2 3.86Å; Y414-H418 AromaticContact CG-ND1 4Å; Y414-H418 AromaticContact CZ-CE1 3.64Å; Y414-H418 AromaticContact CZ-ND1 3.82Å; Y414-H418 AromaticContact CZ-NE2 3.98Å; Y414-H418 PolarHBondContact O-N 2.96Å; Y414-H418 VanDerWaalsContact O-N 3.08Å; Y414-H418 PolarHBondContact O-ND1 2.83Å; G415-H418 CarbonylContact O-C 3.3Å; G415-H418 PolarHBondContact O-N 3.38Å; L416-H418 VanDerWaalsContact C-N 3.31Å; H418-P420 VanDerWaalsContact O-CD 3.22Å; H418-P420 WeakPolarHBondContact O-CD 3.31Å
419N95.1Very high94.7Very high2 Ų234.9 Ų34.91%0.01118%0.18CC..  trans-73.3112.5180-171.7-24.7000110.4V77 P81 G415 R421 L422 R423V77-N419 HydrophobicContact CG1-CB 3.85Å; P81-N419 PolarHBondContact O-ND2 3.45Å; P81-N419 VanDerWaalsContact O-ND2 3.1Å; G415-N419 WeakPolarHBondContact O-CB 3.45Å; G415-N419 PolarHBondContact O-N 3.14Å; N419-R421 PolarHBondContact O-N 3.22Å; N419-R421 WeakPolarHBondContact OD1-CB 3.41Å; N419-R421 PolarHBondContact OD1-N 2.85Å; N419-R421 VanDerWaalsContact OD1-N 3.12Å; N419-L422 HydrophobicContact CB-CB 4.39Å; N419-L422 HydrophobicContact CB-CD1 3.93Å; N419-L422 HydrophobicContact CB-CG 3.97Å; N419-L422 PolarHBondContact O-N 2.72Å; N419-R423 PolarHBondContact O-N 3.18Å
420P92.6Very high94.8Very high64 Ų6437.1 Ų37.142%0.41619%0.192SC..THydrogen-bonded Turntrans-64.1-24.3-174.625.7-34.1000113.1H418 L422 R423H418-P420 VanDerWaalsContact O-CD 3.22Å; H418-P420 WeakPolarHBondContact O-CD 3.31Å; P420-L422 VanDerWaalsContact C-N 3.31Å; P420-L422 PolarHBondContact O-N 3.48Å; P420-R423 WeakPolarHBondContact CA-O 3.4Å; P420-R423 CarbonylContact O-C 3.57Å; P420-R423 VanDerWaalsContact O-C 3.3Å; P420-R423 PolarHBondContact O-N 3.34Å
421R91.5Very high94.9Very high135 Ų13536.5 Ų36.551%0.50919%0.188SC..THydrogen-bonded Turntrans-66-34.1173.9-177.2175.261.8124.1-0.5112.4P81 S82 D99 N419P81-R421 PolarHBondContact O-NH2 3.19Å; S82-R421 PolarHBondContact OG-NH2 2.88Å; D99-R421 IonicContact OD2-CZ 2.77Å; D99-R421 IonicContact OD2-NH1 3.26Å; D99-R421 IonicContact OD2-NH2 2.89Å; D99-R421 PolarHBondContact OD2-NH2 2.9Å; N419-R421 PolarHBondContact O-N 3.22Å; N419-R421 WeakPolarHBondContact OD1-CB 3.41Å; N419-R421 PolarHBondContact OD1-N 2.85Å; N419-R421 VanDerWaalsContact OD1-N 3.12Å
422L90.9Very high94.8Very high34 Ų3439.8 Ų39.818%0.17821%0.211CC..THydrogen-bonded Turntrans-88.8-29.1179.9-52-179.8000111.5P100 L416 N419 P420P100-L422 HydrophobicContact CG-CD1 3.61Å; P100-L422 HydrophobicContact CG-CD2 3.87Å; P100-L422 HydrophobicContact CG-CG 4.41Å; L416-L422 HydrophobicContact CD1-CD1 3.7Å; N419-L422 HydrophobicContact CB-CB 4.39Å; N419-L422 HydrophobicContact CB-CD1 3.93Å; N419-L422 HydrophobicContact CB-CG 3.97Å; N419-L422 PolarHBondContact O-N 2.72Å; P420-L422 VanDerWaalsContact C-N 3.31Å; P420-L422 PolarHBondContact O-N 3.48Å
423R89.4Confident94.7Very high27 Ų2742.1 Ų42.110%0.10222%0.219CC..SBendtrans-144.696.5-176.2-66.3-171.3179.486.82.7110R379 N419 P420 N425 A426 A444R379-R423 VanDerWaalsContact CD-CD 3.47Å; N419-R423 PolarHBondContact O-N 3.18Å; P420-R423 WeakPolarHBondContact CA-O 3.4Å; P420-R423 CarbonylContact O-C 3.57Å; P420-R423 VanDerWaalsContact O-C 3.3Å; P420-R423 PolarHBondContact O-N 3.34Å; R423-N425 PolarHBondContact O-N 2.83Å; R423-A426 HydrophobicContact CB-CB 4.22Å; R423-A426 WeakPolarHBondContact O-CB 3.29Å; R423-A426 PolarHBondContact O-N 2.86Å; R423-A444 PolarHBondContact NH1-O 2.8Å; R423-A444 PolarHBondContact NH2-O 2.98Å
424P89.5Confident94.7Very high90 Ų9042.9 Ų42.958%0.58422%0.223SC*.THydrogen-bonded Turntrans-53.7140.1168.9-25.935.3000110.9R433P424-R433 PolarHBondContact O-NH1 3.41Å; P424-R433 PolarHBondContact O-NH2 2.88Å
425N92.5Very high94.6Very high106 Ų10643.4 Ų43.457%0.56723%0.23SC*.THydrogen-bonded Turntrans51.553.9-174.5-52.1-28000111.8R423 E427 V428 R433R423-N425 PolarHBondContact O-N 2.83Å; N425-E427 WeakPolarHBondContact CA-OE1 3.3Å; N425-E427 WeakPolarHBondContact CA-OE2 3.45Å; N425-E427 PolarHBondContact O-N 2.88Å; N425-E427 VanDerWaalsContact O-N 3.14Å; N425-V428 HydrophobicContact CB-CB 4.32Å; N425-V428 HydrophobicContact CB-CG2 3.86Å; N425-V428 WeakPolarHBondContact O-CB 3.47Å; N425-V428 PolarHBondContact O-N 3.39Å; N425-R433 PolarHBondContact O-NH2 2.73Å
426A93.6Very high94.5Very high4 Ų449 Ų493%0.03327%0.266CS..THydrogen-bonded Turntrans-64.1-18.1-171.300000113.5R379 L380 R423R379-A426 VanDerWaalsContact CZ-O 3.22Å; R379-A426 PolarHBondContact NH1-O 3.22Å; R379-A426 PolarHBondContact NH2-O 3.42Å; L380-A426 WeakPolarHBondContact CD2-O 3.45Å; R423-A426 HydrophobicContact CB-CB 4.22Å; R423-A426 WeakPolarHBondContact O-CB 3.29Å; R423-A426 PolarHBondContact O-N 2.86Å
427E93.8Very high94.3Very high129 Ų12952.8 Ų52.860%0.60331%0.305SS*.THydrogen-bonded Turntrans-77.1-23.3174.371.4-65.8157.100113.4N425N425-E427 WeakPolarHBondContact CA-OE1 3.3Å; N425-E427 WeakPolarHBondContact CA-OE2 3.45Å; N425-E427 PolarHBondContact O-N 2.88Å; N425-E427 VanDerWaalsContact O-N 3.14Å
428V96.7Very high94Very high71 Ų7153.8 Ų53.843%0.4331%0.313SS..SBendtrans-74.4128.5178.7177.20000109.7R379 N425 D430R379-V428 PolarHBondContact NH2-O 3.42Å; N425-V428 HydrophobicContact CB-CB 4.32Å; N425-V428 HydrophobicContact CB-CG2 3.86Å; N425-V428 WeakPolarHBondContact O-CB 3.47Å; N425-V428 PolarHBondContact O-N 3.39Å; V428-D430 PolarHBondContact O-N 2.95Å
429F98.1Very high93.6Very high7 Ų759.2 Ų59.23%0.03135%0.351CS..  trans-73.1106.7170.3-174.1-88.3000109.2A334 H338 H341 C373 E376 A377 L380 P431A334-F429 HydrophobicContact CB-CD2 3.99Å; A334-F429 HydrophobicContact CB-CE2 3.63Å; A334-F429 HydrophobicContact CB-CZ 4.33Å; H338-F429 WeakPolarHBondContact NE2-CB 3.46Å; H341-F429 HydrophobicContact CB-CE1 4.35Å; H341-F429 AromaticContact CD2-CD1 3.38Å; H341-F429 WeakPolarHBondContact CD2-CD1 3.36Å; H341-F429 AromaticContact CD2-CE1 3.42Å; H341-F429 VanDerWaalsContact CD2-CE1 3.42Å; H341-F429 WeakPolarHBondContact CD2-CE1 3.49Å; H341-F429 AromaticContact NE2-CD1 3.85Å; C373-F429 HydrophobicContact CB-CZ 4.13Å; E376-F429 HydrophobicContact CB-CD2 4.27Å; E376-F429 HydrophobicContact CB-CE2 3.88Å; E376-F429 HydrophobicContact CB-CZ 4.11Å; E376-F429 HydrophobicContact CG-CD1 4.26Å; E376-F429 HydrophobicContact CG-CD2 3.56Å; E376-F429 HydrophobicContact CG-CE1 4.41Å; E376-F429 HydrophobicContact CG-CE2 3.7Å; E376-F429 HydrophobicContact CG-CG 3.86Å; E376-F429 HydrophobicContact CG-CZ 4.14Å; A377-F429 HydrophobicContact CB-CE2 4.04Å; L380-F429 HydrophobicContact CD1-CB 3.88Å; L380-F429 HydrophobicContact CD1-CD2 3.74Å; L380-F429 HydrophobicContact CD1-CG 4.31Å; F429-P431 HydrophobicContact CD1-CG 4Å; F429-P431 HydrophobicContact CE1-CG 3.45Å; F429-P431 VanDerWaalsContact CE1-CG 3.45Å; F429-P431 HydrophobicContact CZ-CG 4.19Å
430D97.3Very high93.1Very high48 Ų4867.8 Ų67.826%0.25738%0.383SS..  trans-13298.2179.5171.518.5000110.5E376 V428 S432 R433E376-D430 PolarHBondContact OE1-N 3.46Å; V428-D430 PolarHBondContact O-N 2.95Å; D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 WeakPolarHBondContact OD1-CA 3.38Å; D430-S432 WeakPolarHBondContact OD1-CB 3.45Å; D430-S432 PolarHBondContact OD1-N 3.33Å; D430-S432 PolarHBondContact OD1-OG 2.88Å; D430-S432 PolarHBondContact OD2-OG 3.46Å; D430-S432 VanDerWaalsContact OD2-OG 3.08Å; D430-R433 HydrophobicContact CB-CG 4.17Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.45Å; D430-R433 PolarHBondContact O-N 3.42Å; D430-R433 IonicContact OD2-NE 2.71Å
431P97.9Very high92.8Very high2 Ų269.3 Ų69.31%0.01339%0.385CS..G310 helixtrans-59.7-24.3176.4-26.536.2000114H341 M372 C373 F429 R433 F434H341-P431 WeakPolarHBondContact NE2-CD 3.26Å; M372-P431 HydrophobicContact CB-CB 3.95Å; C373-P431 HydrophobicContact CB-CG 4.48Å; C373-P431 VanDerWaalsContact SG-CG 3.54Å; F429-P431 HydrophobicContact CD1-CG 4Å; F429-P431 HydrophobicContact CE1-CG 3.45Å; F429-P431 VanDerWaalsContact CE1-CG 3.45Å; F429-P431 HydrophobicContact CZ-CG 4.19Å; P431-R433 PolarHBondContact O-N 3.2Å; P431-R433 VanDerWaalsContact O-N 3.13Å; P431-F434 PolarHBondContact O-N 2.95Å
432S96Very high92.8Very high69 Ų6967.6 Ų67.648%0.48339%0.389SS..G310 helixtrans-64-20.4-176.780.90000112.6D430 F434 A435D430-S432 PolarHBondContact O-N 3.37Å; D430-S432 WeakPolarHBondContact OD1-CA 3.38Å; D430-S432 WeakPolarHBondContact OD1-CB 3.45Å; D430-S432 PolarHBondContact OD1-N 3.33Å; D430-S432 PolarHBondContact OD1-OG 2.88Å; D430-S432 PolarHBondContact OD2-OG 3.46Å; D430-S432 VanDerWaalsContact OD2-OG 3.08Å; S432-F434 PolarHBondContact O-N 2.82Å; S432-A435 WeakPolarHBondContact O-CB 3.32Å; S432-A435 PolarHBondContact O-N 2.88Å
433R94.6Very high93.1Very high54 Ų5468 Ų6820%0.20439%0.39CS..G310 helixtrans-54-24.3169.9-61.9179.2-168.3-71.48.9113.3E376 P424 N425 D430 P431E376-R433 IonicContact OE1-NE 3.2Å; P424-R433 PolarHBondContact O-NH1 3.41Å; P424-R433 PolarHBondContact O-NH2 2.88Å; N425-R433 PolarHBondContact O-NH2 2.73Å; D430-R433 HydrophobicContact CB-CG 4.17Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.45Å; D430-R433 PolarHBondContact O-N 3.42Å; D430-R433 IonicContact OD2-NE 2.71Å; P431-R433 PolarHBondContact O-N 3.2Å; P431-R433 VanDerWaalsContact O-N 3.13Å
434F96.2Very high93.4Very high24 Ų2467 Ų6711%0.10539%0.388CS..G310 helixtrans-107.79.1-179.9-64-74.3000114.1M372 K375 E376 R379 P431 S432 F445M372-F434 HydrophobicContact CB-CB 4.18Å; M372-F434 HydrophobicContact CG-CB 3.89Å; K375-F434 HydrophobicContact CB-CB 4.45Å; K375-F434 HydrophobicContact CB-CD1 3.92Å; K375-F434 HydrophobicContact CB-CD2 3.65Å; K375-F434 HydrophobicContact CB-CE1 4Å; K375-F434 HydrophobicContact CB-CE2 3.75Å; K375-F434 HydrophobicContact CB-CG 3.72Å; K375-F434 HydrophobicContact CB-CZ 3.92Å; K375-F434 HydrophobicContact CD-CB 4.13Å; K375-F434 HydrophobicContact CD-CD1 3.77Å; K375-F434 HydrophobicContact CD-CE1 4.36Å; K375-F434 HydrophobicContact CD-CG 3.94Å; K375-F434 HydrophobicContact CG-CD1 4.44Å; E376-F434 HydrophobicContact CB-CD2 4.2Å; E376-F434 HydrophobicContact CB-CE2 4.04Å; E376-F434 VanDerWaalsContact OE2-CE2 3.3Å; E376-F434 WeakPolarHBondContact OE2-CE2 3.16Å; R379-F434 HydrophobicContact CB-CZ 4.35Å; P431-F434 PolarHBondContact O-N 2.95Å; S432-F434 PolarHBondContact O-N 2.82Å; F434-F445 HydrophobicContact CE1-CB 4.34Å; F434-F445 AromaticContact CE1-CD1 3.6Å; F434-F445 HydrophobicContact CE1-CD1 3.6Å; F434-F445 AromaticContact CE1-CD2 3.98Å; F434-F445 HydrophobicContact CE1-CD2 3.98Å; F434-F445 AromaticContact CE1-CE1 3.72Å; F434-F445 HydrophobicContact CE1-CE1 3.72Å; F434-F445 HydrophobicContact CE1-CE2 4.11Å; F434-F445 AromaticContact CE1-CG 3.72Å; F434-F445 HydrophobicContact CE1-CG 3.72Å; F434-F445 AromaticContact CE1-CZ 3.95Å; F434-F445 HydrophobicContact CE1-CZ 3.95Å; F434-F445 HydrophobicContact CZ-CD1 4.17Å; F434-F445 AromaticContact CZ-CD2 3.73Å; F434-F445 HydrophobicContact CZ-CD2 3.73Å; F434-F445 HydrophobicContact CZ-CE1 4.09Å; F434-F445 AromaticContact CZ-CE2 3.67Å; F434-F445 HydrophobicContact CZ-CE2 3.67Å; F434-F445 AromaticContact CZ-CG 3.97Å; F434-F445 HydrophobicContact CZ-CG 3.97Å; F434-F445 AromaticContact CZ-CZ 3.83Å; F434-F445 HydrophobicContact CZ-CZ 3.83Å
435A96Very high93.7Very high25 Ų2565.3 Ų65.321%0.20737%0.371CS..SBendtrans-60.1152179.100000112.5M372 S432 G437 A438M372-A435 WeakPolarHBondContact SD-CA 3.28Å; M372-A435 HydrophobicContact SD-CB 3.91Å; M372-A435 PolarHBondContact SD-N 3.42Å; M372-A435 VanDerWaalsContact SD-N 3.44Å; S432-A435 WeakPolarHBondContact O-CB 3.32Å; S432-A435 PolarHBondContact O-N 2.88Å; A435-G437 PolarHBondContact O-N 2.78Å; A435-A438 HydrophobicContact CB-CB 4.34Å; A435-A438 WeakPolarHBondContact O-CB 3.22Å; A435-A438 PolarHBondContact O-N 3.4Å; A435-A438 VanDerWaalsContact O-N 3.16Å
436P93.1Very high94Very high116 Ų11660.5 Ų60.575%0.75335%0.346SS*.THydrogen-bonded Turntrans-54.1128.9163.4-22.234000109.8A438P436-A438 VanDerWaalsContact C-N 3.32Å; P436-A438 PolarHBondContact O-N 3.4Å
437G92.2Very high94.1Very high80 Ų8061.6 Ų61.683%0.82535%0.352SS*.THydrogen-bonded Turntrans85-12-177.900000116A435A435-G437 PolarHBondContact O-N 2.78Å
438A90.7Very high94.3Very high21 Ų2156.7 Ų56.717%0.17433%0.329CS..SBendtrans-59.7140.9173.300000110.6A435 P436 R440A435-A438 HydrophobicContact CB-CB 4.34Å; A435-A438 WeakPolarHBondContact O-CB 3.22Å; A435-A438 PolarHBondContact O-N 3.4Å; A435-A438 VanDerWaalsContact O-N 3.16Å; P436-A438 VanDerWaalsContact C-N 3.32Å; P436-A438 PolarHBondContact O-N 3.4Å; A438-R440 WeakPolarHBondContact O-CG 3.42Å; A438-R440 PolarHBondContact O-N 2.82Å
439P87.3Confident94.3Very high136 Ų13654.5 Ų54.588%0.88332%0.317SS*.  trans-54.8125.5177.3-26.134.2000111.6
440R85Confident94.2Very high181 Ų18155.1 Ų55.168%0.68332%0.323SS*.  trans-115113.6179.9-68.8179.4-173.7178.32.6110.3A438A438-R440 WeakPolarHBondContact O-CG 3.42Å; A438-R440 PolarHBondContact O-N 2.82Å
441Q87.2Confident94.1Very high97 Ų9754.6 Ų54.645%0.45333%0.329SS..  trans-88.2126.8166.4-167.317521.900110P100 H443 A444P100-Q441 HydrophobicContact CB-CG 4.38Å; P100-Q441 HydrophobicContact CG-CG 4.47Å; Q441-H443 PolarHBondContact O-N 3.49Å; Q441-A444 HydrophobicContact CB-CB 3.88Å; Q441-A444 HydrophobicContact CG-CB 4.36Å; Q441-A444 WeakPolarHBondContact O-CB 3.05Å; Q441-A444 PolarHBondContact O-N 3.48Å
442T91.8Very high93.8Very high99 Ų9957.3 Ų57.361%0.60735%0.346SS*.THydrogen-bonded Turntrans-57.9138.3177.4-44.20000109.9P100 A444P100-T442 WeakPolarHBondContact CB-O 3.34Å; T442-A444 PolarHBondContact O-N 2.71Å; T442-A444 VanDerWaalsContact O-N 3.14Å
443H95.6Very high93.7Very high43 Ų4355.2 Ų55.220%0.19933%0.327CS..THydrogen-bonded Turntrans60.813.3-179.5-55.990.9000116.2P100 M103 L416 Q441P100-H443 HydrophobicContact CB-CB 4.49Å; M103-H443 HydrophobicContact CB-CB 4.2Å; L416-H443 VanDerWaalsContact CD2-O 3.28Å; L416-H443 WeakPolarHBondContact CD2-O 3.35Å; Q441-H443 PolarHBondContact O-N 3.49Å
444A95.6Very high93.8Very high6 Ų655.2 Ų55.25%0.0533%0.331CS..SBendtrans-86.3-9.1173.700000113.9P100 R423 Q441 T442P100-A444 HydrophobicContact CG-CB 4.07Å; R423-A444 PolarHBondContact NH1-O 2.8Å; R423-A444 PolarHBondContact NH2-O 2.98Å; Q441-A444 HydrophobicContact CB-CB 3.88Å; Q441-A444 HydrophobicContact CG-CB 4.36Å; Q441-A444 WeakPolarHBondContact O-CB 3.05Å; Q441-A444 PolarHBondContact O-N 3.48Å; T442-A444 PolarHBondContact O-N 2.71Å; T442-A444 VanDerWaalsContact O-N 3.14Å
445F97.1Very high93.8Very high53 Ų5356.5 Ų56.523%0.23234%0.343CS..  trans-136.6117.8176178.3-118000109.4K375 R379 F434 P447K375-F445 HydrophobicContact CB-CE1 4.16Å; K375-F445 HydrophobicContact CB-CZ 3.86Å; K375-F445 HydrophobicContact CD-CE1 4.4Å; K375-F445 HydrophobicContact CG-CE1 4.03Å; K375-F445 HydrophobicContact CG-CZ 4.11Å; K375-F445 WeakPolarHBondContact O-CE2 3.46Å; K375-F445 WeakPolarHBondContact O-CZ 3.17Å; R379-F445 HydrophobicContact CB-CD2 4.19Å; R379-F445 HydrophobicContact CB-CE2 3.83Å; R379-F445 HydrophobicContact CG-CD2 4.37Å; R379-F445 HydrophobicContact CG-CE2 4.5Å; F434-F445 HydrophobicContact CE1-CB 4.34Å; F434-F445 AromaticContact CE1-CD1 3.6Å; F434-F445 HydrophobicContact CE1-CD1 3.6Å; F434-F445 AromaticContact CE1-CD2 3.98Å; F434-F445 HydrophobicContact CE1-CD2 3.98Å; F434-F445 AromaticContact CE1-CE1 3.72Å; F434-F445 HydrophobicContact CE1-CE1 3.72Å; F434-F445 HydrophobicContact CE1-CE2 4.11Å; F434-F445 AromaticContact CE1-CG 3.72Å; F434-F445 HydrophobicContact CE1-CG 3.72Å; F434-F445 AromaticContact CE1-CZ 3.95Å; F434-F445 HydrophobicContact CE1-CZ 3.95Å; F434-F445 HydrophobicContact CZ-CD1 4.17Å; F434-F445 AromaticContact CZ-CD2 3.73Å; F434-F445 HydrophobicContact CZ-CD2 3.73Å; F434-F445 HydrophobicContact CZ-CE1 4.09Å; F434-F445 AromaticContact CZ-CE2 3.67Å; F434-F445 HydrophobicContact CZ-CE2 3.67Å; F434-F445 AromaticContact CZ-CG 3.97Å; F434-F445 HydrophobicContact CZ-CG 3.97Å; F434-F445 AromaticContact CZ-CZ 3.83Å; F434-F445 HydrophobicContact CZ-CZ 3.83Å; F445-P447 HydrophobicContact CD1-CG 4.14Å; F445-P447 HydrophobicContact CD2-CG 4.48Å; F445-P447 HydrophobicContact CE1-CG 3.51Å; F445-P447 HydrophobicContact CE2-CB 4.3Å; F445-P447 HydrophobicContact CE2-CG 3.89Å; F445-P447 HydrophobicContact CZ-CB 4.11Å; F445-P447 HydrophobicContact CZ-CG 3.38Å
446L97.4Very high93.9Very high6 Ų656.6 Ų56.63%0.03134%0.339CS..  trans-139.747.3-166.4-65.7177.2000113.2M103 L107 F413 L416 H417 F448 S449 A450M103-L446 HydrophobicContact CB-CD1 4.35Å; M103-L446 HydrophobicContact CG-CD1 4.31Å; M103-L446 HydrophobicContact SD-CD1 4.02Å; L107-L446 HydrophobicContact CD1-CD1 3.61Å; L107-L446 HydrophobicContact CD1-CD2 4.21Å; F413-L446 HydrophobicContact CD1-CB 3.99Å; F413-L446 HydrophobicContact CD1-CD1 4.09Å; F413-L446 HydrophobicContact CE1-CB 4.29Å; F413-L446 HydrophobicContact CE1-CD1 4.06Å; L416-L446 HydrophobicContact CD2-CB 4.35Å; L416-L446 HydrophobicContact CD2-CD1 3.63Å; L416-L446 HydrophobicContact CD2-CG 3.98Å; H417-L446 PolarHBondContact NE2-N 2.8Å; L446-F448 PolarHBondContact O-N 3.23Å; L446-F448 VanDerWaalsContact O-N 3.15Å; L446-S449 PolarHBondContact O-N 2.83Å; L446-S449 VanDerWaalsContact O-N 3.12Å; L446-A450 HydrophobicContact CD2-CB 3.73Å
447P97.2Very high94Very high26 Ų2651.4 Ų51.417%0.16931%0.307CS..THydrogen-bonded Turntrans-63.1-23.5-179.931.1-39.8000112.8L378 F445L378-P447 HydrophobicContact CB-CB 4.04Å; L378-P447 HydrophobicContact CD1-CB 4.28Å; F445-P447 HydrophobicContact CD1-CG 4.14Å; F445-P447 HydrophobicContact CD2-CG 4.48Å; F445-P447 HydrophobicContact CE1-CG 3.51Å; F445-P447 HydrophobicContact CE2-CB 4.3Å; F445-P447 HydrophobicContact CE2-CG 3.89Å; F445-P447 HydrophobicContact CZ-CB 4.11Å; F445-P447 HydrophobicContact CZ-CG 3.38Å
448F97.7Very high94.2Very high27 Ų2752 Ų5212%0.11829%0.287CS..THydrogen-bonded Turntrans-115.417.5178.8-62.9-72.9000112.3L378 L446 C455 K458 T461 M462L378-F448 HydrophobicContact CD1-CE2 4.38Å; L378-F448 HydrophobicContact CD1-CZ 4.43Å; L446-F448 PolarHBondContact O-N 3.23Å; L446-F448 VanDerWaalsContact O-N 3.15Å; F448-C455 HydrophobicContact CB-CB 3.9Å; F448-C455 HydrophobicContact CD1-CB 3.89Å; F448-C455 HydrophobicContact CG-CB 4.38Å; F448-C455 PolarHBondContact O-N 2.87Å; F448-K458 HydrophobicContact CB-CB 4.25Å; F448-K458 HydrophobicContact CB-CD 4.01Å; F448-K458 HydrophobicContact CB-CG 4.12Å; F448-K458 HydrophobicContact CD1-CB 4.02Å; F448-K458 HydrophobicContact CD1-CG 4.1Å; F448-K458 HydrophobicContact CD2-CB 4.44Å; F448-K458 HydrophobicContact CD2-CD 3.93Å; F448-K458 HydrophobicContact CD2-CG 3.64Å; F448-K458 HydrophobicContact CE1-CG 4.45Å; F448-K458 HydrophobicContact CE2-CG 4.06Å; F448-K458 HydrophobicContact CG-CB 3.98Å; F448-K458 HydrophobicContact CG-CD 4.03Å; F448-K458 HydrophobicContact CG-CG 3.68Å; F448-K458 HydrophobicContact CZ-CG 4.44Å; F448-T461 HydrophobicContact CE1-CG2 3.86Å; F448-T461 HydrophobicContact CZ-CG2 4.09Å; F448-M462 HydrophobicContact CE2-CG 3.93Å; F448-M462 HydrophobicContact CE2-SD 3.68Å; F448-M462 HydrophobicContact CZ-CG 3.99Å; F448-M462 HydrophobicContact CZ-SD 3.87Å
449S96.8Very high94.5Very high25 Ų2556.3 Ų56.318%0.17530%0.304CS..  trans54.9-170.8-167.2-172.70000112.2L107 L446L107-S449 WeakPolarHBondContact CD2-OG 3.46Å; L446-S449 PolarHBondContact O-N 2.83Å; L446-S449 VanDerWaalsContact O-N 3.12Å
450A96.3Very high95Very high19 Ų1950.5 Ų50.516%0.15726%0.264CS..  trans-141-178.6171.200000111L107 L446L107-A450 HydrophobicContact CD1-CB 4.1Å; L446-A450 HydrophobicContact CD2-CB 3.73Å
451G94.4Very high95.6Very high38 Ų3842.6 Ų42.639%0.39224%0.237SC..SBendtrans74.8-164.8179.200000114.1L107 R453 N454L107-G451 WeakPolarHBondContact O-CA 3.46Å; G451-R453 PolarHBondContact O-N 3.48Å; G451-N454 WeakPolarHBondContact O-CB 3.37Å; G451-N454 PolarHBondContact O-N 3.31Å
452T91.6Very high96.1Very high59 Ų5938.9 Ų38.936%0.36222%0.219SC..THydrogen-bonded Turntrans-60.3-30.3-177.4580000112.3S110 W137S110-T452 PolarHBondContact OG-OG1 3.31Å; W137-T452 WeakPolarHBondContact CH2-O 3.37Å
453R94Very high96.4Very high24 Ų2434.6 Ų34.69%0.09119%0.193CC..THydrogen-bonded Turntrans-97.821.5-177.7-65.3-89.9-173.9149.224.3113.3K113 L132 N133 W137 G451K113-R453 VanDerWaalsContact NZ-NH1 3.13Å; L132-R453 PolarHBondContact O-NH1 3.15Å; N133-R453 PolarHBondContact OD1-NH2 3.44Å; W137-R453 VanDerWaalsContact CE2-CD 3.44Å; W137-R453 HydrophobicContact CH2-CG 4.09Å; W137-R453 HydrophobicContact CZ2-CG 4.02Å; G451-R453 PolarHBondContact O-N 3.48Å
454N96.1Very high96.5Very high54 Ų5432.5 Ų32.529%0.28918%0.183SC..SBendtrans-64.4163.1173.574.3-15.9000111.9R141 G451 I456R141-N454 PolarHBondContact NH1-O 3.1Å; R141-N454 PolarHBondContact NH2-O 3.22Å; R141-N454 VanDerWaalsContact NH2-O 3.15Å; R141-N454 PolarHBondContact NH2-OD1 3.14Å; G451-N454 WeakPolarHBondContact O-CB 3.37Å; G451-N454 PolarHBondContact O-N 3.31Å; N454-I456 PolarHBondContact O-N 3.09Å
455C97.3Very high96.7Very high51 Ų5132.3 Ų32.335%0.34518%0.181SC..  trans-59.3124.7176-177.60000110.8F448 G457F448-C455 HydrophobicContact CB-CB 3.9Å; F448-C455 HydrophobicContact CD1-CB 3.89Å; F448-C455 HydrophobicContact CG-CB 4.38Å; F448-C455 PolarHBondContact O-N 2.87Å; C455-G457 VanDerWaalsContact C-N 3.35Å; C455-G457 PolarHBondContact SG-N 2.86Å
456I96.5Very high96.7Very high27 Ų2730.6 Ų30.614%0.13817%0.174CC..THydrogen-bonded Turntrans-69.9-35.1177.5-161.9175.7000111.5L129 L144 F148 F316 N454 K458L129-I456 HydrophobicContact CD2-CD1 4.23Å; L129-I456 HydrophobicContact CD2-CG2 4.34Å; L144-I456 HydrophobicContact CB-CD1 4.12Å; F148-I456 HydrophobicContact CD2-CD1 3.8Å; F148-I456 HydrophobicContact CD2-CG1 3.75Å; F148-I456 HydrophobicContact CD2-CG2 4.27Å; F148-I456 HydrophobicContact CE2-CD1 4.07Å; F148-I456 HydrophobicContact CE2-CG1 4.3Å; F148-I456 HydrophobicContact CE2-CG2 4.08Å; F148-I456 HydrophobicContact CG-CG1 4.29Å; F148-I456 HydrophobicContact CZ-CG2 4.41Å; F316-I456 HydrophobicContact CE1-CG2 3.86Å; F316-I456 HydrophobicContact CZ-CG2 3.98Å; N454-I456 PolarHBondContact O-N 3.09Å; I456-K458 VanDerWaalsContact C-N 3.3Å; I456-K458 PolarHBondContact O-N 3.06Å
457G96.2Very high96.8Very high8 Ų830.3 Ų30.38%0.08217%0.172CC..THydrogen-bonded Turntrans-84.710.1-17800000114.8C455 Q459 F460 T461C455-G457 VanDerWaalsContact C-N 3.35Å; C455-G457 PolarHBondContact SG-N 2.86Å; G457-Q459 VanDerWaalsContact C-N 3.29Å; G457-Q459 PolarHBondContact O-N 2.99Å; G457-Q459 VanDerWaalsContact O-N 3.12Å; G457-F460 WeakPolarHBondContact O-CB 3.45Å; G457-F460 PolarHBondContact O-N 3.5Å; G457-T461 PolarHBondContact O-N 3.32Å; G457-T461 PolarHBondContact O-OG1 2.65Å
458K97Very high96.8Very high92 Ų9229.1 Ų29.140%0.416%0.164SC..Hα-helixtrans-48-46.7-173.6172.1177.7176.3-172.10113.9F448 I456 M462F448-K458 HydrophobicContact CB-CB 4.25Å; F448-K458 HydrophobicContact CB-CD 4.01Å; F448-K458 HydrophobicContact CB-CG 4.12Å; F448-K458 HydrophobicContact CD1-CB 4.02Å; F448-K458 HydrophobicContact CD1-CG 4.1Å; F448-K458 HydrophobicContact CD2-CB 4.44Å; F448-K458 HydrophobicContact CD2-CD 3.93Å; F448-K458 HydrophobicContact CD2-CG 3.64Å; F448-K458 HydrophobicContact CE1-CG 4.45Å; F448-K458 HydrophobicContact CE2-CG 4.06Å; F448-K458 HydrophobicContact CG-CB 3.98Å; F448-K458 HydrophobicContact CG-CD 4.03Å; F448-K458 HydrophobicContact CG-CG 3.68Å; F448-K458 HydrophobicContact CZ-CG 4.44Å; I456-K458 VanDerWaalsContact C-N 3.3Å; I456-K458 PolarHBondContact O-N 3.06Å; K458-M462 WeakPolarHBondContact O-CB 3.47Å; K458-M462 WeakPolarHBondContact O-CG 3.15Å; K458-M462 PolarHBondContact O-N 3.39Å
459Q96.3Very high96.8Very high111 Ų11127.8 Ų27.852%0.51916%0.159SC..Hα-helixtrans-72.3-41.3-178.2-65-61.9-11.400111.8L153 G457 T461 M462 N463L153-Q459 HydrophobicContact CD1-CB 3.59Å; G457-Q459 VanDerWaalsContact C-N 3.29Å; G457-Q459 PolarHBondContact O-N 2.99Å; G457-Q459 VanDerWaalsContact O-N 3.12Å; Q459-T461 PolarHBondContact O-N 3.26Å; Q459-M462 PolarHBondContact O-N 2.83Å; Q459-N463 VanDerWaalsContact O-CG 3.26Å; Q459-N463 PolarHBondContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 2.88Å
460F96.9Very high96.9Very high14 Ų1426.6 Ų26.66%0.06115%0.15CC..Hα-helixtrans-55.5-52.4173177.9-84.1000110.8F148 L153 Y156 M160 T194 C198 G457 M462 N463 E464F148-F460 HydrophobicContact CD1-CB 4.32Å; L153-F460 HydrophobicContact CD2-CB 3.96Å; L153-F460 HydrophobicContact CD2-CD2 3.92Å; L153-F460 HydrophobicContact CD2-CG 4.46Å; Y156-F460 AromaticContact CD2-CD2 3.93Å; Y156-F460 HydrophobicContact CD2-CD2 3.93Å; Y156-F460 AromaticContact CD2-CE2 3.9Å; Y156-F460 HydrophobicContact CD2-CE2 3.9Å; Y156-F460 HydrophobicContact CE2-CE2 4.47Å; M160-F460 HydrophobicContact CE-CD1 4.3Å; M160-F460 HydrophobicContact CE-CD2 3.62Å; M160-F460 HydrophobicContact CE-CE1 4.16Å; M160-F460 HydrophobicContact CE-CE2 3.45Å; M160-F460 VanDerWaalsContact CE-CE2 3.45Å; M160-F460 HydrophobicContact CE-CG 4.05Å; M160-F460 HydrophobicContact CE-CZ 3.75Å; T194-F460 HydrophobicContact CG2-CZ 3.84Å; C198-F460 HydrophobicContact CB-CE2 3.76Å; C198-F460 HydrophobicContact CB-CZ 4.25Å; G457-F460 WeakPolarHBondContact O-CB 3.45Å; G457-F460 PolarHBondContact O-N 3.5Å; F460-M462 PolarHBondContact O-N 3.17Å; F460-N463 WeakPolarHBondContact O-CB 3.31Å; F460-N463 PolarHBondContact O-N 2.99Å; F460-E464 VanDerWaalsContact CE1-OE2 3.26Å; F460-E464 WeakPolarHBondContact CE1-OE2 3.43Å; F460-E464 PolarHBondContact O-N 2.85Å
461T97.9Very high96.9Very high16 Ų1626 Ų2610%0.09814%0.144CC..Hα-helixtrans-60.3-46.7179-54.30000110.9T324 F448 G457 Q459 N463 E464 L465T324-T461 HydrophobicContact CG2-CG2 4.15Å; F448-T461 HydrophobicContact CE1-CG2 3.86Å; F448-T461 HydrophobicContact CZ-CG2 4.09Å; G457-T461 PolarHBondContact O-N 3.32Å; G457-T461 PolarHBondContact O-OG1 2.65Å; Q459-T461 PolarHBondContact O-N 3.26Å; T461-N463 VanDerWaalsContact C-N 3.27Å; T461-N463 PolarHBondContact O-N 3.36Å; T461-E464 PolarHBondContact O-N 2.9Å; T461-L465 HydrophobicContact CG2-CD1 4.14Å; T461-L465 HydrophobicContact CG2-CG 4.11Å; T461-L465 VanDerWaalsContact O-CG 3.22Å; T461-L465 WeakPolarHBondContact O-CG 3.36Å; T461-L465 PolarHBondContact O-N 2.85Å
462M98.1Very high97Very high19 Ų1924.1 Ų24.19%0.09413%0.125CC..Hα-helixtrans-60.7-35.4178.9-76-59.2-49.500113.2T371 I374 L378 F448 K458 Q459 F460 L465 K466T371-M462 HydrophobicContact CG2-CE 4.43Å; I374-M462 HydrophobicContact CG2-CE 3.92Å; I374-M462 HydrophobicContact CG2-SD 4.43Å; L378-M462 HydrophobicContact CD1-SD 4.45Å; F448-M462 HydrophobicContact CE2-CG 3.93Å; F448-M462 HydrophobicContact CE2-SD 3.68Å; F448-M462 HydrophobicContact CZ-CG 3.99Å; F448-M462 HydrophobicContact CZ-SD 3.87Å; K458-M462 WeakPolarHBondContact O-CB 3.47Å; K458-M462 WeakPolarHBondContact O-CG 3.15Å; K458-M462 PolarHBondContact O-N 3.39Å; Q459-M462 PolarHBondContact O-N 2.83Å; F460-M462 PolarHBondContact O-N 3.17Å; M462-L465 HydrophobicContact SD-CD1 4.26Å; M462-K466 VanDerWaalsContact O-CG 3.25Å; M462-K466 WeakPolarHBondContact O-CG 3.12Å; M462-K466 PolarHBondContact O-N 3.33Å
463N97.9Very high97.2Very high8 Ų821.3 Ų21.34%0.04311%0.108CC..Hα-helixtrans-66.3-48.8174.6-67.8-12.5000110.9M160 L361 L364 Q459 F460 T461 L465 K466 V467M160-N463 HydrophobicContact CE-CB 4.29Å; M160-N463 HydrophobicContact SD-CB 3.96Å; L361-N463 VanDerWaalsContact CD1-ND2 3.27Å; L361-N463 WeakPolarHBondContact CD1-ND2 3.29Å; L364-N463 HydrophobicContact CD1-CB 3.77Å; Q459-N463 VanDerWaalsContact O-CG 3.26Å; Q459-N463 PolarHBondContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 2.88Å; F460-N463 WeakPolarHBondContact O-CB 3.31Å; F460-N463 PolarHBondContact O-N 2.99Å; T461-N463 VanDerWaalsContact C-N 3.27Å; T461-N463 PolarHBondContact O-N 3.36Å; N463-L465 PolarHBondContact O-N 3.38Å; N463-K466 PolarHBondContact O-N 3.24Å; N463-K466 VanDerWaalsContact O-N 3.16Å; N463-V467 WeakPolarHBondContact O-CG2 3.47Å; N463-V467 PolarHBondContact O-N 3.08Å
464E98.3Very high97.3Very high0 Ų022.1 Ų22.10%011%0.114CC..Hα-helixtrans-60.3-44.3179.8-169.7171.1-162.700112M160 T191 T194 T324 F460 T461 K466 V467 A468M160-E464 HydrophobicContact CE-CB 4.05Å; M160-E464 HydrophobicContact CG-CB 4.43Å; M160-E464 HydrophobicContact CG-CG 4.42Å; M160-E464 HydrophobicContact SD-CB 4.06Å; T191-E464 WeakPolarHBondContact CA-OE1 3.36Å; T194-E464 WeakPolarHBondContact CB-OE1 3.09Å; T194-E464 HydrophobicContact CG2-CG 4.4Å; T194-E464 WeakPolarHBondContact CG2-OE1 3.37Å; T194-E464 PolarHBondContact OG1-OE1 3.34Å; T324-E464 HydrophobicContact CG2-CB 4.48Å; T324-E464 HydrophobicContact CG2-CG 4.17Å; T324-E464 WeakPolarHBondContact CG2-OE2 3.19Å; F460-E464 VanDerWaalsContact CE1-OE2 3.26Å; F460-E464 WeakPolarHBondContact CE1-OE2 3.43Å; F460-E464 PolarHBondContact O-N 2.85Å; T461-E464 PolarHBondContact O-N 2.9Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 3.04Å; E464-V467 PolarHBondContact O-N 3.11Å; E464-A468 WeakPolarHBondContact O-CB 3.41Å; E464-A468 PolarHBondContact O-N 3.22Å
465L98.8Very high97.2Very high1 Ų121.7 Ų21.71%0.00511%0.108CC..Hα-helixtrans-57.7-45174.9-65.7-178.5000111.6T324 I328 I331 I374 L378 T461 M462 N463 V469T324-L465 HydrophobicContact CG2-CD2 4.07Å; I328-L465 HydrophobicContact CB-CD2 4.38Å; I328-L465 HydrophobicContact CD1-CD2 4.24Å; I328-L465 HydrophobicContact CG1-CD2 3.3Å; I331-L465 HydrophobicContact CD1-CB 4.27Å; I331-L465 HydrophobicContact CD1-CD1 4Å; I331-L465 HydrophobicContact CD1-CD2 3.8Å; I331-L465 HydrophobicContact CD1-CG 4.21Å; I374-L465 HydrophobicContact CD1-CB 4.35Å; I374-L465 HydrophobicContact CG2-CB 4.36Å; I374-L465 HydrophobicContact CG2-CD1 3.88Å; L378-L465 HydrophobicContact CD1-CD1 3.85Å; L378-L465 HydrophobicContact CD2-CD1 4.41Å; T461-L465 HydrophobicContact CG2-CD1 4.14Å; T461-L465 HydrophobicContact CG2-CG 4.11Å; T461-L465 VanDerWaalsContact O-CG 3.22Å; T461-L465 WeakPolarHBondContact O-CG 3.36Å; T461-L465 PolarHBondContact O-N 2.85Å; M462-L465 HydrophobicContact SD-CD1 4.26Å; N463-L465 PolarHBondContact O-N 3.38Å; L465-V469 WeakPolarHBondContact O-CB 3.45Å; L465-V469 WeakPolarHBondContact O-CG2 3.49Å; L465-V469 PolarHBondContact O-N 3.43Å
466K98.4Very high97.1Very high18 Ų1819.3 Ų19.38%0.0789%0.092CC..Hα-helixtrans-69-42.6-179.8-71.4174.6175.9-162.80112.2L364 M367 T371 I374 M462 N463 E464 V469 A470L364-K466 HydrophobicContact CB-CD 4Å; L364-K466 HydrophobicContact CD2-CB 3.77Å; L364-K466 HydrophobicContact CD2-CD 4.48Å; L364-K466 PolarHBondContact O-NZ 3.49Å; M367-K466 HydrophobicContact SD-CB 4.47Å; T371-K466 WeakPolarHBondContact OG1-CE 3.46Å; T371-K466 PolarHBondContact OG1-NZ 3.44Å; T371-K466 VanDerWaalsContact OG1-NZ 3.09Å; I374-K466 HydrophobicContact CD1-CB 4.36Å; I374-K466 HydrophobicContact CD1-CG 3.66Å; M462-K466 VanDerWaalsContact O-CG 3.25Å; M462-K466 WeakPolarHBondContact O-CG 3.12Å; M462-K466 PolarHBondContact O-N 3.33Å; N463-K466 PolarHBondContact O-N 3.24Å; N463-K466 VanDerWaalsContact O-N 3.16Å; E464-K466 VanDerWaalsContact C-N 3.33Å; E464-K466 PolarHBondContact O-N 3.04Å; K466-V469 PolarHBondContact O-N 3.2Å; K466-A470 WeakPolarHBondContact O-CB 3.25Å; K466-A470 PolarHBondContact O-N 2.86Å
467V98.2Very high97.1Very high0 Ų020.4 Ų20.40%010%0.097CC..Hα-helixtrans-60.3-48.6176.7173.10000110.1V157 M160 V161 V164 V359 L364 N463 E464 V469 A470 L471V157-V467 HydrophobicContact CG1-CG2 3.99Å; M160-V467 HydrophobicContact CB-CB 4.28Å; M160-V467 HydrophobicContact CB-CG1 4.02Å; M160-V467 HydrophobicContact CB-CG2 4.23Å; V161-V467 HydrophobicContact CB-CG1 4.5Å; V161-V467 HydrophobicContact CG2-CG1 3.79Å; V164-V467 HydrophobicContact CG2-CG1 4.2Å; V359-V467 HydrophobicContact CG1-CG2 4.2Å; L364-V467 HydrophobicContact CD1-CG2 3.97Å; L364-V467 HydrophobicContact CD2-CG2 3.98Å; N463-V467 WeakPolarHBondContact O-CG2 3.47Å; N463-V467 PolarHBondContact O-N 3.08Å; E464-V467 PolarHBondContact O-N 3.11Å; V467-V469 PolarHBondContact O-N 3.38Å; V467-A470 PolarHBondContact O-N 2.88Å; V467-L471 HydrophobicContact CG1-CD1 3.8Å; V467-L471 HydrophobicContact CG1-CG 4.4Å; V467-L471 WeakPolarHBondContact O-CB 3.39Å; V467-L471 WeakPolarHBondContact O-CG 3.46Å; V467-L471 PolarHBondContact O-N 3.26Å
468A98.5Very high97.2Very high0 Ų020 Ų200%09%0.093CC..Hα-helixtrans-59.1-47178.700000111.7V164 M190 I328 F332 E464 T472V164-A468 HydrophobicContact CG2-CB 4.2Å; M190-A468 HydrophobicContact CE-CB 4.32Å; I328-A468 HydrophobicContact CD1-CB 3.73Å; I328-A468 HydrophobicContact CG1-CB 4.25Å; I328-A468 HydrophobicContact CG2-CB 4.06Å; F332-A468 HydrophobicContact CZ-CB 4.24Å; E464-A468 WeakPolarHBondContact O-CB 3.41Å; E464-A468 PolarHBondContact O-N 3.22Å; A468-T472 WeakPolarHBondContact O-CB 3.44Å; A468-T472 PolarHBondContact O-N 3.5Å; A468-T472 VanDerWaalsContact O-N 3.1Å; A468-T472 PolarHBondContact O-OG1 2.95Å
469V98.3Very high97.2Very high0 Ų018.6 Ų18.60%09%0.089CC..Hα-helixtrans-63.8-50.8177174.30000111.6I331 F332 L335 T370 I374 L465 K466 V467 L471 T472 L473I331-V469 HydrophobicContact CG2-CG2 3.48Å; I331-V469 VanDerWaalsContact CG2-CG2 3.48Å; F332-V469 HydrophobicContact CD1-CG2 4.38Å; F332-V469 HydrophobicContact CE1-CG2 3.9Å; L335-V469 HydrophobicContact CD1-CG1 3.89Å; T370-V469 HydrophobicContact CG2-CB 4.32Å; T370-V469 HydrophobicContact CG2-CG1 3.61Å; I374-V469 HydrophobicContact CD1-CG2 4.28Å; I374-V469 HydrophobicContact CG1-CG2 4.27Å; L465-V469 WeakPolarHBondContact O-CB 3.45Å; L465-V469 WeakPolarHBondContact O-CG2 3.49Å; L465-V469 PolarHBondContact O-N 3.43Å; K466-V469 PolarHBondContact O-N 3.2Å; V467-V469 PolarHBondContact O-N 3.38Å; V469-L471 PolarHBondContact O-N 2.91Å; V469-T472 PolarHBondContact O-N 3.21Å; V469-L473 HydrophobicContact CG1-CD1 3.74Å; V469-L473 HydrophobicContact CG1-CG 4.14Å; V469-L473 WeakPolarHBondContact O-CB 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.27Å; V469-L473 WeakPolarHBondContact O-CG 3.38Å; V469-L473 PolarHBondContact O-N 3.45Å
470A97Very high97.1Very high0 Ų015.6 Ų15.60%08%0.079CC..Hα-helixtrans-57.7-52.9-17600000111.8V349 M367 K466 V467 T472 L473 L474V349-A470 HydrophobicContact CG1-CB 3.74Å; V349-A470 HydrophobicContact CG2-CB 3.94Å; M367-A470 HydrophobicContact CE-CB 3.85Å; M367-A470 HydrophobicContact SD-CB 4.27Å; K466-A470 WeakPolarHBondContact O-CB 3.25Å; K466-A470 PolarHBondContact O-N 2.86Å; V467-A470 PolarHBondContact O-N 2.88Å; A470-T472 PolarHBondContact O-N 2.95Å; A470-L473 PolarHBondContact O-N 3.49Å; A470-L474 WeakPolarHBondContact O-CG 3.35Å; A470-L474 PolarHBondContact O-N 2.91Å; A470-L474 VanDerWaalsContact O-N 3.16Å
471L96.8Very high97Very high5 Ų515.2 Ų15.23%0.0268%0.078CC..Hα-helixtrans-68.7-37-177.8-65.5179.1000112.4V161 V164 L168 V359 V467 V469 L474 R475V161-L471 HydrophobicContact CB-CD1 4.24Å; V161-L471 HydrophobicContact CG1-CD1 4.04Å; V161-L471 HydrophobicContact CG2-CD1 4.16Å; V164-L471 HydrophobicContact CB-CD1 3.99Å; V164-L471 HydrophobicContact CG1-CB 3.77Å; V164-L471 HydrophobicContact CG1-CD1 3.76Å; V164-L471 HydrophobicContact CG1-CG 4.39Å; L168-L471 HydrophobicContact CD1-CB 3.88Å; V359-L471 HydrophobicContact CG2-CD2 3.8Å; V359-L471 HydrophobicContact CG2-CG 4.17Å; V467-L471 HydrophobicContact CG1-CD1 3.8Å; V467-L471 HydrophobicContact CG1-CG 4.4Å; V467-L471 WeakPolarHBondContact O-CB 3.39Å; V467-L471 WeakPolarHBondContact O-CG 3.46Å; V467-L471 PolarHBondContact O-N 3.26Å; V469-L471 PolarHBondContact O-N 2.91Å; L471-L474 PolarHBondContact O-N 3.32Å; L471-R475 PolarHBondContact O-N 3.34Å
472T97.2Very high96.8Very high0 Ų019.6 Ų19.60%011%0.106CC..Hα-helixtrans-64.1-45.6177-56.80000110.9L168 W171 F332 A468 V469 A470 L474 R475 F476 L478L168-T472 HydrophobicContact CD2-CG2 4.14Å; W171-T472 HydrophobicContact CZ3-CG2 4.13Å; F332-T472 HydrophobicContact CE1-CG2 4.45Å; F332-T472 HydrophobicContact CE2-CG2 4.14Å; F332-T472 HydrophobicContact CZ-CG2 4.01Å; F332-T472 WeakPolarHBondContact CZ-OG1 3.29Å; A468-T472 WeakPolarHBondContact O-CB 3.44Å; A468-T472 PolarHBondContact O-N 3.5Å; A468-T472 VanDerWaalsContact O-N 3.1Å; A468-T472 PolarHBondContact O-OG1 2.95Å; V469-T472 PolarHBondContact O-N 3.21Å; A470-T472 PolarHBondContact O-N 2.95Å; T472-L474 VanDerWaalsContact C-N 3.28Å; T472-L474 PolarHBondContact O-N 3.31Å; T472-R475 PolarHBondContact O-N 2.87Å; T472-R475 VanDerWaalsContact O-N 3.15Å; T472-F476 HydrophobicContact CG2-CD2 4.47Å; T472-F476 PolarHBondContact O-N 3.34Å; T472-L478 HydrophobicContact CG2-CD1 4.08Å; T472-L478 HydrophobicContact CG2-CD2 4.09Å; T472-L478 HydrophobicContact CG2-CG 4.38Å
473L96.2Very high96.6Very high0 Ų024.3 Ų24.30%014%0.136CC..Hα-helixtrans-71-21.1-178.5-66.4-173.5000114.1L335 Q342 C345 R346 V469 A470 L507L335-L473 HydrophobicContact CD1-CD1 4.23Å; Q342-L473 HydrophobicContact CG-CD2 3.51Å; C345-L473 HydrophobicContact CB-CD1 3.49Å; C345-L473 VanDerWaalsContact CB-CD1 3.49Å; R346-L473 HydrophobicContact CB-CB 4.42Å; R346-L473 PolarHBondContact NE-O 2.93Å; V469-L473 HydrophobicContact CG1-CD1 3.74Å; V469-L473 HydrophobicContact CG1-CG 4.14Å; V469-L473 WeakPolarHBondContact O-CB 3.47Å; V469-L473 VanDerWaalsContact O-CG 3.27Å; V469-L473 WeakPolarHBondContact O-CG 3.38Å; V469-L473 PolarHBondContact O-N 3.45Å; A470-L473 PolarHBondContact O-N 3.49Å; L473-L507 VanDerWaalsContact O-CD1 3.25Å; L473-L507 WeakPolarHBondContact O-CD1 3.31Å
474L94.8Very high96.4Very high41 Ų4127.5 Ų27.522%0.21515%0.148CC..Hα-helixtrans-75.3-25.5171.6-75.2-179000113V349 K350 L353 A470 L471 T472V349-L474 HydrophobicContact CG1-CD1 3.84Å; V349-L474 HydrophobicContact CG1-CD2 3.96Å; V349-L474 HydrophobicContact CG1-CG 3.7Å; K350-L474 HydrophobicContact CB-CD2 4.4Å; K350-L474 HydrophobicContact CG-CD2 3.41Å; K350-L474 VanDerWaalsContact CG-CD2 3.41Å; L353-L474 HydrophobicContact CB-CD1 4.44Å; L353-L474 HydrophobicContact CD1-CD1 3.85Å; A470-L474 WeakPolarHBondContact O-CG 3.35Å; A470-L474 PolarHBondContact O-N 2.91Å; A470-L474 VanDerWaalsContact O-N 3.16Å; L471-L474 PolarHBondContact O-N 3.32Å; T472-L474 VanDerWaalsContact C-N 3.28Å; T472-L474 PolarHBondContact O-N 3.31Å
475R94Very high96.3Very high45 Ų4531.5 Ų31.517%0.1717%0.172CC..Hα-helixtrans-103.3-34.9-176.9-162.3176.9-170.7162.21.7113.4L168 D169 E172 L471 T472 L507L168-R475 VanDerWaalsContact CB-NH1 3.28Å; L168-R475 PolarHBondContact O-NH1 2.9Å; D169-R475 IonicContact OD1-CZ 3.75Å; D169-R475 IonicContact OD1-NH1 2.7Å; D169-R475 PolarHBondContact OD1-NH1 3.37Å; D169-R475 IonicContact OD1-NH2 2.82Å; D169-R475 PolarHBondContact OD1-NH2 2.95Å; E172-R475 VanDerWaalsContact CD-NH2 3.28Å; E172-R475 IonicContact OE1-NE 2.86Å; E172-R475 IonicContact OE1-NH2 2.94Å; E172-R475 IonicContact OE2-CZ 3.92Å; E172-R475 IonicContact OE2-NE 2.78Å; E172-R475 IonicContact OE2-NH2 2.83Å; E172-R475 PolarHBondContact OE2-NH2 3.28Å; L471-R475 PolarHBondContact O-N 3.34Å; T472-R475 PolarHBondContact O-N 2.87Å; T472-R475 VanDerWaalsContact O-N 3.15Å; R475-L507 PolarHBondContact O-N 3.4Å
476F95.8Very high96.2Very high0 Ų032 Ų320%018%0.175CC..EExtended strand (participates in β ladder)trans-128.9146.4-172.1-57.1-66000113.3L168 W171 E172 V175 R346 T472 L478 K505 K506L168-F476 HydrophobicContact CB-CE2 4.14Å; L168-F476 HydrophobicContact CD2-CD2 3.9Å; L168-F476 HydrophobicContact CD2-CE2 3.69Å; L168-F476 HydrophobicContact CG-CE2 4.46Å; W171-F476 HydrophobicContact CB-CE2 3.97Å; W171-F476 HydrophobicContact CB-CZ 3.98Å; W171-F476 HydrophobicContact CE3-CD2 4.32Å; W171-F476 HydrophobicContact CE3-CE2 4.3Å; E172-F476 HydrophobicContact CB-CE1 4.48Å; E172-F476 HydrophobicContact CB-CZ 4.03Å; V175-F476 HydrophobicContact CG2-CD1 4.19Å; V175-F476 HydrophobicContact CG2-CE1 3.62Å; V175-F476 HydrophobicContact CG2-CZ 4.45Å; R346-F476 PolarHBondContact NH2-O 3.15Å; R346-F476 VanDerWaalsContact NH2-O 3.13Å; T472-F476 HydrophobicContact CG2-CD2 4.47Å; T472-F476 PolarHBondContact O-N 3.34Å; F476-L478 HydrophobicContact CB-CD2 4.23Å; F476-K505 CarbonylContact C-O 3.43Å; F476-K505 WeakPolarHBondContact CA-O 3.45Å; F476-K506 HydrophobicContact CD1-CB 4.5Å; F476-K506 HydrophobicContact CE1-CB 4.43Å
477E96.6Very high96Very high51 Ų5135.6 Ų35.624%0.23819%0.194CC..EExtended strand (participates in β ladder)trans-88.7126.5153.7-180177-160.100108L479 K505 L507E477-L479 HydrophobicContact CG-CD2 4.45Å; E477-L479 HydrophobicContact CG-CG 4.48Å; E477-K505 HydrophobicContact CB-CB 4.25Å; E477-K505 PolarHBondContact N-O 3.47Å; E477-K505 PolarHBondContact O-N 3.06Å; E477-K505 WeakPolarHBondContact OE2-CD 3.23Å; E477-K505 IonicContact OE2-NZ 2.71Å; E477-K505 PolarHBondContact OE2-NZ 3.12Å; E477-L507 HydrophobicContact CB-CD2 3.97Å
478L97.5Very high95.8Very high0 Ų038 Ų380%021%0.207CC..EExtended strand (participates in β ladder)trans-100.8131.5179.4-57.4180000109.4F332 A336 Q342 T472 F476 L502 T504F332-L478 HydrophobicContact CB-CD1 3.9Å; F332-L478 HydrophobicContact CD1-CD1 4.25Å; F332-L478 HydrophobicContact CD2-CD1 4.41Å; F332-L478 HydrophobicContact CG-CD1 3.95Å; A336-L478 WeakPolarHBondContact CA-O 3.41Å; A336-L478 HydrophobicContact CB-CB 3.98Å; Q342-L478 PolarHBondContact NE2-O 3.42Å; T472-L478 HydrophobicContact CG2-CD1 4.08Å; T472-L478 HydrophobicContact CG2-CD2 4.09Å; T472-L478 HydrophobicContact CG2-CG 4.38Å; F476-L478 HydrophobicContact CB-CD2 4.23Å; L478-L502 HydrophobicContact CB-CD1 4.5Å; L478-L502 HydrophobicContact CD1-CD1 4.44Å; L478-T504 HydrophobicContact CD2-CG2 3.88Å
479L96.8Very high95.4Very high62 Ų6238.5 Ų38.533%0.32521%0.21SC..EExtended strand (participates in β ladder)trans-128140.6179.5-61.3166.9000109.5E477 L502 H503E477-L479 HydrophobicContact CG-CD2 4.45Å; E477-L479 HydrophobicContact CG-CG 4.48Å; L479-L502 CarbonylContact O-C 3.46Å; L479-L502 VanDerWaalsContact O-CA 3.32Å; L479-L502 WeakPolarHBondContact O-CA 3.35Å; L479-H503 HydrophobicContact CB-CB 4.14Å; L479-H503 PolarHBondContact N-O 2.79Å; L479-H503 PolarHBondContact O-N 2.91Å
480P95.6Very high94.9Very high47 Ų4739.5 Ų39.531%0.30522%0.217SC..EExtended strand (participates in β ladder)trans-71147.7178.631.1-33000110.2A336 T337 P482A336-P480 WeakPolarHBondContact O-CD 3.28Å; T337-P480 HydrophobicContact CG2-CB 3.87Å; T337-P480 HydrophobicContact CG2-CG 4.21Å; P480-P482 VanDerWaalsContact O-CD 3.26Å; P480-P482 WeakPolarHBondContact O-CD 3.37Å
481D94.9Very high94.4Very high7 Ų742.4 Ų42.44%0.03723%0.23CC..  trans-82108.1165.9179.7-10.8000109.2P180 T483 R484 Y501P180-D481 HydrophobicContact CB-CB 4.28Å; D481-T483 PolarHBondContact O-N 3.16Å; D481-T483 WeakPolarHBondContact OD1-CA 3.05Å; D481-T483 WeakPolarHBondContact OD1-CB 3.37Å; D481-T483 PolarHBondContact OD1-N 3.29Å; D481-T483 PolarHBondContact OD1-OG1 3Å; D481-T483 PolarHBondContact OD2-OG1 2.71Å; D481-R484 CarbonylContact O-C 3.56Å; D481-R484 PolarHBondContact O-N 3.36Å; D481-R484 PolarHBondContact OD1-N 3.48Å; D481-R484 IonicContact OD2-CZ 3.54Å; D481-R484 VanDerWaalsContact OD2-CZ 3.26Å; D481-R484 IonicContact OD2-NE 2.61Å; D481-R484 PolarHBondContact OD2-NE 3.49Å; D481-R484 IonicContact OD2-NH2 3.33Å; D481-R484 PolarHBondContact OD2-NH2 3.06Å; D481-Y501 WeakPolarHBondContact CB-O 3.41Å; D481-Y501 PolarHBondContact N-O 3.12Å
482P93Very high94.2Very high107 Ų10744.1 Ų44.170%0.69524%0.238SC*.THydrogen-bonded Turntrans-67.9-19.9-177.429.7-35.6000112.7P480P480-P482 VanDerWaalsContact O-CD 3.26Å; P480-P482 WeakPolarHBondContact O-CD 3.37Å
483T94.3Very high94Very high118 Ų11844.3 Ų44.372%0.72424%0.239SC*.THydrogen-bonded Turntrans-82.1-19.6-179.373.70000112.5D481D481-T483 PolarHBondContact O-N 3.16Å; D481-T483 WeakPolarHBondContact OD1-CA 3.05Å; D481-T483 WeakPolarHBondContact OD1-CB 3.37Å; D481-T483 PolarHBondContact OD1-N 3.29Å; D481-T483 PolarHBondContact OD1-OG1 3Å; D481-T483 PolarHBondContact OD2-OG1 2.71Å
484R94.2Very high94Very high76 Ų7644.3 Ų44.329%0.28724%0.239SC..SBendtrans-134.861.8-175.8-69.7-179-65.3176.87.7112.1D481 P486 Y501D481-R484 CarbonylContact O-C 3.56Å; D481-R484 PolarHBondContact O-N 3.36Å; D481-R484 PolarHBondContact OD1-N 3.48Å; D481-R484 IonicContact OD2-CZ 3.54Å; D481-R484 VanDerWaalsContact OD2-CZ 3.26Å; D481-R484 IonicContact OD2-NE 2.61Å; D481-R484 PolarHBondContact OD2-NE 3.49Å; D481-R484 IonicContact OD2-NH2 3.33Å; D481-R484 PolarHBondContact OD2-NH2 3.06Å; R484-P486 WeakPolarHBondContact O-CD 3.47Å; R484-Y501 HydrophobicContact CB-CD2 4.31Å; R484-Y501 VanDerWaalsContact CZ-CG 3.44Å
485V95.9Very high93.9Very high84 Ų8443.3 Ų43.351%0.50923%0.233SC..  trans-57.1126.4171.1-177.60000110I487 N498V485-I487 PolarHBondContact O-N 2.87Å; V485-N498 PolarHBondContact O-ND2 3.3Å
486P96.1Very high94Very high10 Ų1042 Ų427%0.06523%0.231CC..  trans-59.3130179.8-28.636.8000113.7W330 Y333 R484 S496 I500W330-P486 HydrophobicContact CH2-CB 3.87Å; W330-P486 HydrophobicContact CZ3-CB 3.8Å; W330-P486 HydrophobicContact CZ3-CG 4.42Å; Y333-P486 HydrophobicContact CD2-CG 3.76Å; Y333-P486 HydrophobicContact CE1-CG 4.46Å; Y333-P486 HydrophobicContact CE2-CG 3.55Å; Y333-P486 HydrophobicContact CG-CG 4.32Å; R484-P486 WeakPolarHBondContact O-CD 3.47Å; P486-S496 WeakPolarHBondContact CA-OG 3.47Å; P486-S496 WeakPolarHBondContact CB-OG 3.06Å; P486-I500 HydrophobicContact CB-CG1 4.28Å; P486-I500 HydrophobicContact CG-CB 4.49Å; P486-I500 HydrophobicContact CG-CG1 4.18Å; P486-I500 HydrophobicContact CG-CG2 4.3Å
487I94.3Very high93.8Very high94 Ų9448.1 Ų48.148%0.48226%0.258SS..  trans-97.1105.3175.9-59.2169.9000108.5V485 V489 S496 K497 N498V485-I487 PolarHBondContact O-N 2.87Å; I487-V489 PolarHBondContact O-N 3.47Å; I487-S496 PolarHBondContact N-OG 3.08Å; I487-S496 CarbonylContact O-C 3.57Å; I487-S496 WeakPolarHBondContact O-CA 3.47Å; I487-K497 HydrophobicContact CB-CB 4.14Å; I487-K497 HydrophobicContact CG2-CB 4.29Å; I487-K497 PolarHBondContact O-N 3.47Å; I487-N498 PolarHBondContact N-OD1 2.56Å
488L93.3Very high93.7Very high50 Ų5048.2 Ų48.226%0.26226%0.26SS..EExtended strand (participates in β ladder)trans-60.4128.8-178.6-76.572.4000111.5L70 W330 Y381 Y414 L494L70-L488 HydrophobicContact CD1-CB 3.79Å; L70-L488 HydrophobicContact CD1-CD2 4.42Å; W330-L488 HydrophobicContact CH2-CD1 4.01Å; W330-L488 HydrophobicContact CH2-CG 3.94Å; W330-L488 HydrophobicContact CZ2-CG 4.31Å; W330-L488 HydrophobicContact CZ3-CD1 4.29Å; Y381-L488 HydrophobicContact CD1-CD2 3.87Å; Y381-L488 HydrophobicContact CD1-CG 4.41Å; Y381-L488 HydrophobicContact CE1-CD1 4.19Å; Y381-L488 HydrophobicContact CE1-CD2 4.05Å; Y381-L488 HydrophobicContact CE1-CG 4.49Å; Y414-L488 HydrophobicContact CE2-CD2 4.33Å; L488-L494 HydrophobicContact CB-CD1 4.46Å; L488-L494 HydrophobicContact CD2-CD1 4.46Å
489V91Very high93.5Very high12 Ų1249 Ų497%0.07327%0.268CS..EExtended strand (participates in β ladder)trans-129.3128170.9-69.50000111I487 K491 K495 K497I487-V489 PolarHBondContact O-N 3.47Å; V489-K491 HydrophobicContact CG2-CG 4.23Å; V489-K491 PolarHBondContact O-N 3.25Å; V489-K491 VanDerWaalsContact O-N 3.12Å; V489-K495 HydrophobicContact CG2-CB 4.26Å; V489-K495 VanDerWaalsContact CG2-O 3.31Å; V489-K495 WeakPolarHBondContact CG2-O 3.34Å; V489-K495 PolarHBondContact N-O 3.28Å; V489-K495 PolarHBondContact O-N 2.96Å; V489-K495 VanDerWaalsContact O-N 3.13Å; V489-K497 HydrophobicContact CG1-CB 3.83Å; V489-K497 HydrophobicContact CG1-CD 4.47Å; V489-K497 HydrophobicContact CG2-CB 4.4Å
490S87.9Confident93.6Very high20 Ų2046.2 Ų46.214%0.1425%0.253CS..EExtended strand (participates in β ladder)trans-81.686171.8-178.60000109.9Y227Y227-S490 WeakPolarHBondContact CE2-O 3.2Å
491K86.9Confident93.6Very high62 Ų6246.8 Ų46.827%0.2725%0.25SC..SBendtrans-82.5-147.8164.2-63.1-175.8178.9-179.40108.9Y227 V489 V493Y227-K491 HydrophobicContact CD2-CB 4.39Å; Y227-K491 HydrophobicContact CG-CB 4.47Å; Y227-K491 HydrophobicContact CG-CG 4.4Å; V489-K491 HydrophobicContact CG2-CG 4.23Å; V489-K491 PolarHBondContact O-N 3.25Å; V489-K491 VanDerWaalsContact O-N 3.12Å; K491-V493 VanDerWaalsContact C-N 3.29Å
492I91.1Very high93.8Very high41 Ų4146.5 Ų46.521%0.2125%0.248CC..SBendtrans-64.6-39.4168.4-58.7-48.3000110.7F121 T223 I226 F318F121-I492 HydrophobicContact CE1-CG1 4.45Å; F121-I492 HydrophobicContact CE1-CG2 4.08Å; F121-I492 HydrophobicContact CE2-CD1 4.42Å; F121-I492 HydrophobicContact CZ-CD1 3.74Å; F121-I492 HydrophobicContact CZ-CG1 3.95Å; F121-I492 HydrophobicContact CZ-CG2 3.84Å; T223-I492 HydrophobicContact CG2-CB 4.47Å; I226-I492 HydrophobicContact CG2-CD1 4.05Å; F318-I492 HydrophobicContact CE1-CG2 4.49Å; F318-I492 HydrophobicContact CZ-CG2 3.99Å
493V94.2Very high93.9Very high3 Ų343.7 Ų43.72%0.01823%0.226CC..SBendtrans-117.4146.7171.2-178.40000107.8T323 P383 I384 K491 K495T323-V493 HydrophobicContact CG2-CG2 4.06Å; P383-V493 HydrophobicContact CB-CG1 4.27Å; P383-V493 CarbonylContact O-C 3.58Å; P383-V493 VanDerWaalsContact O-CA 3.24Å; P383-V493 WeakPolarHBondContact O-CA 3.43Å; P383-V493 VanDerWaalsContact O-CG1 3.3Å; P383-V493 WeakPolarHBondContact O-CG1 3.34Å; I384-V493 HydrophobicContact CD1-CG2 4.18Å; K491-V493 VanDerWaalsContact C-N 3.29Å; V493-K495 PolarHBondContact O-N 3.4Å
494L95.4Very high93.9Very high0 Ų039.1 Ų39.10%020%0.198CC..EExtended strand (participates in β ladder)trans-62.7120.6174.7-173.469.1000109.8L70 S326 W330 Y381 P382 P383 P385 L488L70-L494 HydrophobicContact CD1-CD1 3.67Å; S326-L494 PolarHBondContact OG-O 3.49Å; W330-L494 HydrophobicContact CZ2-CG 4.26Å; W330-L494 PolarHBondContact NE1-O 3.36Å; Y381-L494 VanDerWaalsContact CA-CD2 3.47Å; P382-L494 WeakPolarHBondContact O-CB 3.46Å; P383-L494 PolarHBondContact O-N 3.15Å; P385-L494 HydrophobicContact CG-CB 4.16Å; P385-L494 HydrophobicContact CG-CD1 4.36Å; L488-L494 HydrophobicContact CB-CD1 4.46Å; L488-L494 HydrophobicContact CD2-CD1 4.46Å
495K93.9Very high93.8Very high21 Ų2141 Ų419%0.09121%0.208CC..EExtended strand (participates in β ladder)trans-132.5169.5179.8-69.8-161.8174.7-155.50110.5Y184 E220 V489 V493Y184-K495 VanDerWaalsContact CZ-NZ 3.27Å; Y184-K495 WeakPolarHBondContact OH-CE 3.29Å; Y184-K495 PolarHBondContact OH-NZ 3.01Å; E220-K495 IonicContact OE1-NZ 3.33Å; E220-K495 PolarHBondContact OE1-NZ 3.33Å; V489-K495 HydrophobicContact CG2-CB 4.26Å; V489-K495 VanDerWaalsContact CG2-O 3.31Å; V489-K495 WeakPolarHBondContact CG2-O 3.34Å; V489-K495 PolarHBondContact N-O 3.28Å; V489-K495 PolarHBondContact O-N 2.96Å; V489-K495 VanDerWaalsContact O-N 3.13Å; V493-K495 PolarHBondContact O-N 3.4Å
496S94.6Very high93.7Very high17 Ų1742.1 Ų42.112%0.11921%0.206CC..EExtended strand (participates in β ladder)trans-92.3138.2165.2-1790000110.3P486 I487 N498 G499P486-S496 WeakPolarHBondContact CA-OG 3.47Å; P486-S496 WeakPolarHBondContact CB-OG 3.06Å; I487-S496 PolarHBondContact N-OG 3.08Å; I487-S496 CarbonylContact O-C 3.57Å; I487-S496 WeakPolarHBondContact O-CA 3.47Å; S496-N498 VanDerWaalsContact C-N 3.32Å; S496-N498 PolarHBondContact OG-N 2.97Å; S496-N498 PolarHBondContact OG-OD1 2.96Å; S496-G499 WeakPolarHBondContact CB-O 3.44Å; S496-G499 PolarHBondContact OG-N 3.34Å; S496-G499 PolarHBondContact OG-O 2.96Å
497K91.7Very high93.4Very high129 Ų12943.7 Ų43.756%0.56121%0.214SC*.THydrogen-bonded Turntrans-67.3-35.8175.1-175.4171.5178.5164.70111.8D67 I487 V489D67-K497 IonicContact OD2-NZ 3.44Å; D67-K497 PolarHBondContact OD2-NZ 3.1Å; I487-K497 HydrophobicContact CB-CB 4.14Å; I487-K497 HydrophobicContact CG2-CB 4.29Å; I487-K497 PolarHBondContact O-N 3.47Å; V489-K497 HydrophobicContact CG1-CB 3.83Å; V489-K497 HydrophobicContact CG1-CD 4.47Å; V489-K497 HydrophobicContact CG2-CB 4.4Å
498N94.4Very high92.4Very high52 Ų5252.5 Ų52.528%0.27825%0.248SC..THydrogen-bonded Turntrans-110.626.1-175.861.6-37.4000112.2V485 I487 S496 Y501V485-N498 PolarHBondContact O-ND2 3.3Å; I487-N498 PolarHBondContact N-OD1 2.56Å; S496-N498 VanDerWaalsContact C-N 3.32Å; S496-N498 PolarHBondContact OG-N 2.97Å; S496-N498 PolarHBondContact OG-OD1 2.96Å; N498-Y501 WeakPolarHBondContact O-CE2 3.49Å
499G94.9Very high92.3Very high17 Ų1752.7 Ų52.718%0.17525%0.248CC..  trans72.8174.1-178.300000113.8S496S496-G499 WeakPolarHBondContact CB-O 3.44Å; S496-G499 PolarHBondContact OG-N 3.34Å; S496-G499 PolarHBondContact OG-O 2.96Å
500I97.5Very high92.4Very high4 Ų454.8 Ų54.82%0.02126%0.257CS..  trans-117.4105.7172-60.2171.9000107E182 I183 W330 Y333 P486E182-I500 WeakPolarHBondContact CA-O 3.2Å; E182-I500 PolarHBondContact OE1-N 3.13Å; I183-I500 HydrophobicContact CD1-CB 4.34Å; I183-I500 HydrophobicContact CD1-CG2 3.67Å; I183-I500 HydrophobicContact CG1-CB 4.06Å; I183-I500 HydrophobicContact CG1-CG2 3.91Å; I183-I500 PolarHBondContact N-O 2.94Å; W330-I500 HydrophobicContact CD2-CD1 3.88Å; W330-I500 HydrophobicContact CE3-CD1 3.87Å; W330-I500 HydrophobicContact CH2-CD1 4.03Å; W330-I500 HydrophobicContact CH2-CG1 4.37Å; W330-I500 HydrophobicContact CZ2-CD1 4.04Å; W330-I500 HydrophobicContact CZ3-CD1 3.94Å; W330-I500 HydrophobicContact CZ3-CG1 4.35Å; Y333-I500 HydrophobicContact CD2-CG2 4.34Å; Y333-I500 HydrophobicContact CG-CG2 4.45Å; P486-I500 HydrophobicContact CB-CG1 4.28Å; P486-I500 HydrophobicContact CG-CB 4.49Å; P486-I500 HydrophobicContact CG-CG1 4.18Å; P486-I500 HydrophobicContact CG-CG2 4.3Å
501Y97.2Very high92.6Very high59 Ų5956.7 Ų56.723%0.23126%0.264CS..EExtended strand (participates in β ladder)trans-105.1128.5-177.2-70.3-89.5000110.8L181 E182 D481 R484 N498L181-Y501 VanDerWaalsContact O-CA 3.28Å; L181-Y501 WeakPolarHBondContact O-CA 3.43Å; E182-Y501 HydrophobicContact CB-CD1 3.91Å; E182-Y501 HydrophobicContact CB-CE1 3.46Å; E182-Y501 VanDerWaalsContact CB-CE1 3.46Å; E182-Y501 HydrophobicContact CG-CD1 4.31Å; E182-Y501 HydrophobicContact CG-CD2 4.48Å; E182-Y501 HydrophobicContact CG-CE1 3.8Å; E182-Y501 HydrophobicContact CG-CE2 3.96Å; D481-Y501 WeakPolarHBondContact CB-O 3.41Å; D481-Y501 PolarHBondContact N-O 3.12Å; R484-Y501 HydrophobicContact CB-CD2 4.31Å; R484-Y501 VanDerWaalsContact CZ-CG 3.44Å; N498-Y501 WeakPolarHBondContact O-CE2 3.49Å
502L97.1Very high93Very high0 Ų056.4 Ų56.40%026%0.263CS..EExtended strand (participates in β ladder)trans-130.8145.2176.7-60.1-177.4000110.3L181 I183 F332 Y333 A336 L478 L479L181-L502 PolarHBondContact N-O 3.32Å; L181-L502 PolarHBondContact O-N 3.38Å; I183-L502 HydrophobicContact CD1-CD1 3.75Å; I183-L502 HydrophobicContact CD1-CG 4.26Å; I183-L502 HydrophobicContact CG2-CB 4.29Å; I183-L502 HydrophobicContact CG2-CD1 4.28Å; I183-L502 HydrophobicContact CG2-CG 4.32Å; F332-L502 HydrophobicContact CB-CD1 3.97Å; Y333-L502 HydrophobicContact CD2-CD2 4.21Å; A336-L502 HydrophobicContact CB-CD1 4.22Å; A336-L502 HydrophobicContact CB-CD2 3.69Å; L478-L502 HydrophobicContact CB-CD1 4.5Å; L478-L502 HydrophobicContact CD1-CD1 4.44Å; L479-L502 CarbonylContact O-C 3.46Å; L479-L502 VanDerWaalsContact O-CA 3.32Å; L479-L502 WeakPolarHBondContact O-CA 3.35Å
503H95.5Very high93.1Very high49 Ų4957.4 Ų57.423%0.22727%0.267CS..EExtended strand (participates in β ladder)trans-82.1140.7161.6-64.2-96.5000108.9L479L479-H503 HydrophobicContact CB-CB 4.14Å; L479-H503 PolarHBondContact N-O 2.79Å; L479-H503 PolarHBondContact O-N 2.91Å
504T94.6Very high93Very high22 Ų2261 Ų6114%0.13528%0.283CS..EExtended strand (participates in β ladder)trans-118.5130.8176.661.70000108.5W171 L181 L478W171-T504 HydrophobicContact CE3-CG2 4.35Å; L181-T504 HydrophobicContact CD2-CG2 4.39Å; L478-T504 HydrophobicContact CD2-CG2 3.88Å
505K93.5Very high92.9Very high115 Ų11565.4 Ų65.450%0.530%0.303SS..EExtended strand (participates in β ladder)trans-120.4123.1176.5174.3177.9161-147.40108.6F476 E477 L507F476-K505 CarbonylContact C-O 3.43Å; F476-K505 WeakPolarHBondContact CA-O 3.45Å; E477-K505 HydrophobicContact CB-CB 4.25Å; E477-K505 PolarHBondContact N-O 3.47Å; E477-K505 PolarHBondContact O-N 3.06Å; E477-K505 WeakPolarHBondContact OE2-CD 3.23Å; E477-K505 IonicContact OE2-NZ 2.71Å; E477-K505 PolarHBondContact OE2-NZ 3.12Å; K505-L507 PolarHBondContact O-N 2.92Å
506K92.1Very high92.8Very high108 Ų10868.8 Ų68.847%0.4732%0.32SS..EExtended strand (participates in β ladder)trans-62.9131.2177-177.8171.1173.2168.40110.2E172 V175 F476E172-K506 HydrophobicContact CG-CD 4.29Å; E172-K506 WeakPolarHBondContact OE1-CD 3.37Å; E172-K506 WeakPolarHBondContact OE1-CE 3.44Å; E172-K506 IonicContact OE1-NZ 3.28Å; E172-K506 PolarHBondContact OE1-NZ 3.44Å; V175-K506 HydrophobicContact CG1-CB 4.28Å; F476-K506 HydrophobicContact CD1-CB 4.5Å; F476-K506 HydrophobicContact CE1-CB 4.43Å
507L89.7Confident92.6Very high43 Ų4373.1 Ų73.123%0.22534%0.336CS..  trans-74.7137.9173-63.8175.3000109.4L473 R475 E477 K505L473-L507 VanDerWaalsContact O-CD1 3.25Å; L473-L507 WeakPolarHBondContact O-CD1 3.31Å; R475-L507 PolarHBondContact O-N 3.4Å; E477-L507 HydrophobicContact CB-CD2 3.97Å; K505-L507 PolarHBondContact O-N 2.92Å
508K73.5Confident92.7Very high279 Ų27968 Ų68100%1.21332%0.316SS*.  trans-77.60178-70-173.5179-177.30112

Retrieved 508 of 508 residues in 274.6 ms (Link to these results)

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