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Apolipoprotein C-II

Component of chylomicrons, very low-density lipoproteins (VLDL), low-density lipoproteins (LDL), and high-density lipoproteins (HDL) in plasma. Plays an important role in lipoprotein metabolism as an activator of lipoprotein lipase.

AlphaFold DB (P02655), UniProt , Accession A0A024R0T9, Species HUMAN (Homo sapiens, Human), Gene APOC2, Length 101 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
1M51Low71.9Confident238 Ų238123.3 Ų123.3100%1.17266%0.657SS**  049.20-64.3167.6169.500110.5
2G59.1Low72.9Confident57 Ų57120.6 Ų120.659%0.58865%0.648SS**  trans-104-19.2-168.700000115.6
3T62.7Low73.6Confident122 Ų122119.9 Ų119.975%0.74864%0.643SS**THydrogen-bonded Turntrans-85.2-12.3-171.649.90000114.3P7T3-P7 WeakPolarHBondContact O-CD 3.29Å
4R68.2Low74.2Confident215 Ų215116.9 Ų116.981%0.81163%0.626SS**THydrogen-bonded Turntrans-82.1-22179.7-58.6-170.9-170.5-170.33113.5P7R4-P7 WeakPolarHBondContact O-CD 3.43Å; R4-P7 WeakPolarHBondContact O-CG 3.46Å
5L70.9Confident74.6Confident123 Ų123115.1 Ų115.164%0.64462%0.621SS**Hα-helixtrans-78.7-31.8179-67.8174000111.9A8 L9L5-A8 PolarHBondContact O-N 2.77Å; L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 2.82Å
6L77.5Confident74.8Confident126 Ų126114.5 Ų114.566%0.6662%0.617SS**Hα-helixtrans-57.4-50.4-179.4-156.9154.4000112.9A8 L9 F10L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.73Å; L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.11Å
7P75.4Confident74.7Confident68 Ų68109.6 Ų109.644%0.44260%0.6SS.*Hα-helixtrans-67.5-33.6176.826.4-34.9000112.8T3 R4 F10 L11T3-P7 WeakPolarHBondContact O-CD 3.29Å; R4-P7 WeakPolarHBondContact O-CD 3.43Å; R4-P7 WeakPolarHBondContact O-CG 3.46Å; P7-F10 PolarHBondContact O-N 2.97Å; P7-L11 WeakPolarHBondContact O-CB 3.35Å; P7-L11 VanDerWaalsContact O-CG 3.28Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 2.85Å
8A80.1Confident74.3Confident48 Ų48111.1 Ų111.140%0.39760%0.6SS.*Hα-helixtrans-66.5-43.2176.400000111.5L5 L6 L11 V12L5-A8 PolarHBondContact O-N 2.77Å; L6-A8 VanDerWaalsContact C-N 3.35Å; L6-A8 PolarHBondContact O-N 2.82Å; A8-L11 PolarHBondContact O-N 3.23Å; A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 3.48Å
9L81.3Confident73.7Confident111 Ų111112.4 Ų112.458%0.58160%0.602SS**Hα-helixtrans-67.2-39.4177-164.2141.8000110.8L5 L6 V12 L13L5-L9 VanDerWaalsContact O-CB 3.26Å; L5-L9 WeakPolarHBondContact O-CB 3.5Å; L5-L9 PolarHBondContact O-N 2.82Å; L6-L9 PolarHBondContact O-N 2.73Å; L9-V12 PolarHBondContact O-N 2.73Å; L9-L13 HydrophobicContact CD2-CD1 3.46Å; L9-L13 VanDerWaalsContact CD2-CD1 3.46Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 PolarHBondContact O-N 2.9Å
10F81.1Confident72.9Confident134 Ų134111 Ų11159%0.58860%0.597SS**Hα-helixtrans-61.2-44.5172.5-155.5-98.4000111.4L6 P7 V12 L13 L14L6-F10 WeakPolarHBondContact O-CB 3.39Å; L6-F10 PolarHBondContact O-N 3.11Å; P7-F10 PolarHBondContact O-N 2.97Å; F10-V12 PolarHBondContact O-N 2.97Å; F10-L13 PolarHBondContact O-N 3.42Å; F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 VanDerWaalsContact O-CB 3.26Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.21Å
11L83.8Confident72.2Confident114 Ų114111.9 Ų111.960%0.59760%0.597SS**Hα-helixtrans-60.6-41.9174.9-77.4169.4000112.3P7 A8 L14 V15P7-L11 WeakPolarHBondContact O-CB 3.35Å; P7-L11 VanDerWaalsContact O-CG 3.28Å; P7-L11 WeakPolarHBondContact O-CG 3.26Å; P7-L11 PolarHBondContact O-N 2.85Å; A8-L11 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 2.94Å; L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.41Å
12V83.5Confident72.3Confident91 Ų91103.3 Ų103.355%0.55257%0.57SS**Hα-helixtrans-63.4-45.2176.11720000111.2A8 L9 F10 L14 V15 L16A8-V12 WeakPolarHBondContact O-CG2 3.37Å; A8-V12 PolarHBondContact O-N 3.48Å; L9-V12 PolarHBondContact O-N 2.73Å; F10-V12 PolarHBondContact O-N 2.97Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.9Å; V12-V15 PolarHBondContact O-N 3.34Å; V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 PolarHBondContact O-N 3.05Å
13L82.8Confident72.1Confident112 Ų112106 Ų10659%0.58658%0.575SS**Hα-helixtrans-62.3-38.3174.6-97.8107.2000112.2L9 F10 L16 G17L9-L13 HydrophobicContact CD2-CD1 3.46Å; L9-L13 VanDerWaalsContact CD2-CD1 3.46Å; L9-L13 HydrophobicContact CG-CD1 4.28Å; L9-L13 WeakPolarHBondContact O-CD1 3.35Å; L9-L13 PolarHBondContact O-N 2.9Å; F10-L13 PolarHBondContact O-N 3.42Å; L13-L16 PolarHBondContact O-N 2.77Å; L13-G17 PolarHBondContact O-N 3.46Å
14L81.7Confident71.3Confident77 Ų77106.4 Ų106.440%0.40357%0.569SS.*Hα-helixtrans-69.2-41.2-178.7-148.7153.2000110.6F10 L11 V12 G17 F18F10-L14 HydrophobicContact CD1-CD1 4.04Å; F10-L14 HydrophobicContact CE1-CD1 3.85Å; F10-L14 VanDerWaalsContact O-CB 3.26Å; F10-L14 WeakPolarHBondContact O-CB 3.47Å; F10-L14 PolarHBondContact O-N 3.21Å; L11-L14 PolarHBondContact O-N 2.94Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 2.9Å; L14-G17 PolarHBondContact O-N 3.15Å; L14-F18 HydrophobicContact CD2-CD2 3.54Å; L14-F18 HydrophobicContact CD2-CE2 3.6Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.23Å
15V79.7Confident70.1Confident90 Ų90104.2 Ų104.255%0.54557%0.568SS.*Hα-helixtrans-64.7-45.8173.2172.60000111L11 V12 G17 F18 E19L11-V15 WeakPolarHBondContact O-CG2 3.39Å; L11-V15 PolarHBondContact O-N 3.41Å; V12-V15 PolarHBondContact O-N 3.34Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.36Å; V15-F18 PolarHBondContact O-N 2.92Å; V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 2.85Å
16L77.9Confident69Low106 Ų106104 Ų10456%0.55557%0.573SS**Hα-helixtrans-60.5-44.9175.7-114.490.9000111.6V12 L13 F18 E19 V20V12-L16 HydrophobicContact CG1-CD1 4.32Å; V12-L16 PolarHBondContact O-N 3.05Å; L13-L16 PolarHBondContact O-N 2.77Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.35Å; L16-E19 PolarHBondContact O-N 3.47Å; L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 3.5Å
17G73.2Confident67.4Low32 Ų32107 Ų10733%0.3358%0.584SS.*Hα-helixtrans-63.1-39.8177.900000112.1L13 L14 V15 V20 Q21L13-G17 PolarHBondContact O-N 3.46Å; L14-G17 PolarHBondContact O-N 3.15Å; V15-G17 VanDerWaalsContact C-N 3.34Å; V15-G17 PolarHBondContact O-N 3.36Å; G17-V20 PolarHBondContact O-N 2.84Å; G17-Q21 WeakPolarHBondContact O-CB 3.34Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.77Å
18F66.9Low65.5Low136 Ų136112.5 Ų112.560%0.59660%0.604SS**Hα-helixtrans-69.2-32.9173.5-100.9-93.2000113.1L14 V15 L16 Q21 G22L14-F18 HydrophobicContact CD2-CD2 3.54Å; L14-F18 HydrophobicContact CD2-CE2 3.6Å; L14-F18 WeakPolarHBondContact O-CB 3.43Å; L14-F18 WeakPolarHBondContact O-CD2 3.32Å; L14-F18 PolarHBondContact O-N 3.23Å; V15-F18 PolarHBondContact O-N 2.92Å; L16-F18 VanDerWaalsContact C-N 3.34Å; L16-F18 PolarHBondContact O-N 3.35Å; F18-Q21 PolarHBondContact O-N 2.89Å; F18-G22 VanDerWaalsContact O-CA 3.32Å; F18-G22 WeakPolarHBondContact O-CA 3.28Å; F18-G22 PolarHBondContact O-N 2.9Å
19E63.3Low63.7Low136 Ų136118 Ų11864%0.63663%0.626SS**Hα-helixtrans-69-39.2175-159.4176.8153.300110.7V15 L16 T23V15-E19 WeakPolarHBondContact O-CB 3.4Å; V15-E19 PolarHBondContact O-N 2.85Å; L16-E19 PolarHBondContact O-N 3.47Å; E19-T23 PolarHBondContact O-N 2.69Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 3.39Å
20V58.9Low62.1Low84 Ų84120.7 Ų120.751%0.50964%0.636SS.*Hα-helixtrans-65.9-43.1173.2172.70000111.4L16 G17 T23 Q24L16-V20 VanDerWaalsContact O-CG2 3.27Å; L16-V20 WeakPolarHBondContact O-CG2 3.3Å; L16-V20 PolarHBondContact O-N 3.5Å; G17-V20 PolarHBondContact O-N 2.84Å; V20-T23 PolarHBondContact O-OG1 3.13Å; V20-T23 VanDerWaalsContact O-OG1 3.05Å; V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 3.43Å; V20-Q24 PolarHBondContact O-OE1 2.95Å
21Q56.4Low60.4Low130 Ų130122.2 Ų122.261%0.60765%0.647SS**Hα-helixtrans-79-31.2178.4-71.5-162.2-48.200113.5G17 F18 T23 Q24G17-Q21 WeakPolarHBondContact O-CB 3.34Å; G17-Q21 WeakPolarHBondContact O-CG 3.48Å; G17-Q21 PolarHBondContact O-N 2.77Å; F18-Q21 PolarHBondContact O-N 2.89Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å; Q21-Q24 CarbonylContact O-C 3.25Å; Q21-Q24 VanDerWaalsContact O-C 3.22Å; Q21-Q24 VanDerWaalsContact O-CA 3.29Å; Q21-Q24 WeakPolarHBondContact O-CA 3.27Å; Q21-Q24 WeakPolarHBondContact O-CB 3.34Å; Q21-Q24 PolarHBondContact O-N 2.82Å
22G53.9Low58.9Low58 Ų58121.1 Ų121.160%0.59865%0.647SS**Hα-helixtrans-69.8-26.9177.300000112.4F18F18-G22 VanDerWaalsContact O-CA 3.32Å; F18-G22 WeakPolarHBondContact O-CA 3.28Å; F18-G22 PolarHBondContact O-N 2.9Å
23T55.9Low57.7Low113 Ų113119 Ų11969%0.69364%0.636SS**Hα-helixtrans-79.2-20.3166.141.20000112.8E19 V20 Q21 Q25E19-T23 PolarHBondContact O-N 2.69Å; E19-T23 VanDerWaalsContact O-N 3.15Å; E19-T23 PolarHBondContact O-OG1 3.39Å; V20-T23 PolarHBondContact O-OG1 3.13Å; V20-T23 VanDerWaalsContact O-OG1 3.05Å; Q21-T23 VanDerWaalsContact C-N 3.28Å; Q21-T23 PolarHBondContact O-N 3.43Å; T23-Q25 PolarHBondContact O-N 2.73Å; T23-Q25 VanDerWaalsContact O-N 3.11Å
24Q45.4Very low56.8Low131 Ų131118.5 Ų118.561%0.61264%0.64SS**  trans-8453.2167.1-64.4179.1-8200111.4V20 Q21V20-Q24 WeakPolarHBondContact O-CG 3.21Å; V20-Q24 PolarHBondContact O-N 3.43Å; V20-Q24 PolarHBondContact O-OE1 2.95Å; Q21-Q24 CarbonylContact O-C 3.25Å; Q21-Q24 VanDerWaalsContact O-C 3.22Å; Q21-Q24 VanDerWaalsContact O-CA 3.29Å; Q21-Q24 WeakPolarHBondContact O-CA 3.27Å; Q21-Q24 WeakPolarHBondContact O-CB 3.34Å; Q21-Q24 PolarHBondContact O-N 2.82Å
25Q43.6Very low56.2Low169 Ų169119.8 Ų119.879%0.7965%0.651SS**  trans-55.1132.6156.2-169.6166.7-54.200107.4T23 Q27T23-Q25 PolarHBondContact O-N 2.73Å; T23-Q25 VanDerWaalsContact O-N 3.11Å; Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.34Å
26P46.6Very low55.9Low117 Ų117121.3 Ų121.376%0.7665%0.65SS**  trans-77.580.2-161.931.7-35000110.7
27Q44.1Very low55.8Low191 Ų191121.2 Ų121.289%0.89365%0.65SS**  trans-89.491.3150.6-95.3-179.6-33.700106.9Q25Q25-Q27 VanDerWaalsContact C-N 3.3Å; Q25-Q27 PolarHBondContact O-N 3.34Å
28Q35.4Very low56Low182 Ų182123 Ų12385%0.8565%0.654SS**  trans-51.8141.4155.3-67.8-179.8-83.700108.7
29D43.4Very low56.6Low163 Ų163122.4 Ų122.487%0.87265%0.654SS**  trans101.225.3150.5-128.114.6000121
30E46Very low57.3Low168 Ų168118.6 Ų118.679%0.78564%0.639SS**  trans-134.6105.7153.9-145.9151.59000110.1
31M46.6Very low58.3Low167 Ų167122.2 Ų122.282%0.82365%0.648SS**  trans-32.4126.2168.9176.2172.6-98.500109.6S33M31-S33 WeakPolarHBondContact O-CA 3.32Å; M31-S33 PolarHBondContact O-N 3.34Å
32P52.8Low59.5Low91 Ų91122.2 Ų122.259%0.59165%0.648SS**  trans-52.5102.4-169.320.1-32.4000108.8
33S58Low60.9Low47 Ų47121.9 Ų121.933%0.32964%0.636SS.*  trans-59.4137.8-170.4-35.50000106.5M31 T35 F36M31-S33 WeakPolarHBondContact O-CA 3.32Å; M31-S33 PolarHBondContact O-N 3.34Å; S33-T35 PolarHBondContact O-N 3.49Å; S33-F36 PolarHBondContact O-N 2.86Å
34P62.6Low62.2Low101 Ų101121.9 Ų121.966%0.65663%0.632SS**Hα-helixtrans-51.4-22.4-176.918.4-31.9000113.1T38P34-T38 WeakPolarHBondContact O-CB 3.28Å; P34-T38 PolarHBondContact O-N 2.83Å; P34-T38 PolarHBondContact O-OG1 2.81Å
35T70.7Confident63.9Low104 Ų104118.8 Ų118.864%0.63863%0.625SS**Hα-helixtrans-56.1-46.9170.2-39.40000113.8S33 T38 Q39S33-T35 PolarHBondContact O-N 3.49Å; T35-T38 PolarHBondContact O-N 3.46Å; T35-Q39 PolarHBondContact O-N 3.45Å
36F72Confident65.8Low121 Ų121113.8 Ų113.853%0.53161%0.608SS.*Hα-helixtrans-68.6-42.8-178.6-173.7-99.3000111.3S33 T38 Q39 V40S33-F36 PolarHBondContact O-N 2.86Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 2.96Å; F36-Q39 PolarHBondContact O-N 2.9Å; F36-V40 HydrophobicContact CD1-CG2 4Å; F36-V40 HydrophobicContact CE1-CG2 3.63Å; F36-V40 HydrophobicContact CZ-CG2 3.92Å; F36-V40 WeakPolarHBondContact O-CG2 3.37Å; F36-V40 PolarHBondContact O-N 3.38Å
37L75.9Confident67.5Low105 Ų105116.2 Ų116.255%0.5560%0.603SS.*Hα-helixtrans-63.1-38.2175.6-66.7178.9000111.8K41L37-K41 VanDerWaalsContact O-CB 3.26Å; L37-K41 WeakPolarHBondContact O-CB 3.42Å; L37-K41 PolarHBondContact O-N 3.49Å
38T77Confident69.4Low69 Ų69115.9 Ų115.942%0.42359%0.594SS.*Hα-helixtrans-62.6-46.1173.8-570000111P34 T35 F36 V40 K41 E42P34-T38 WeakPolarHBondContact O-CB 3.28Å; P34-T38 PolarHBondContact O-N 2.83Å; P34-T38 PolarHBondContact O-OG1 2.81Å; T35-T38 PolarHBondContact O-N 3.46Å; F36-T38 VanDerWaalsContact C-N 3.3Å; F36-T38 PolarHBondContact O-N 2.96Å; T38-V40 PolarHBondContact O-N 3.28Å; T38-K41 PolarHBondContact O-N 3.46Å; T38-E42 HydrophobicContact CG2-CG 4.5Å; T38-E42 WeakPolarHBondContact O-CB 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 2.86Å
39Q79.5Confident71.8Confident124 Ų124111.2 Ų111.258%0.57957%0.572SS**Hα-helixtrans-62.5-43.8178.2-173.8177.916.900112.4T35 F36 K41 E42 S43T35-Q39 PolarHBondContact O-N 3.45Å; F36-Q39 PolarHBondContact O-N 2.9Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; Q39-E42 PolarHBondContact O-N 2.74Å; Q39-S43 WeakPolarHBondContact O-CB 3.26Å; Q39-S43 PolarHBondContact O-N 3.48Å
40V79Confident73.7Confident56 Ų56107.1 Ų107.134%0.33956%0.556SS.*Hα-helixtrans-62.7-43.5175.7172.10000110.3F36 T38 S43 L44F36-V40 HydrophobicContact CD1-CG2 4Å; F36-V40 HydrophobicContact CE1-CG2 3.63Å; F36-V40 HydrophobicContact CZ-CG2 3.92Å; F36-V40 WeakPolarHBondContact O-CG2 3.37Å; F36-V40 PolarHBondContact O-N 3.38Å; T38-V40 PolarHBondContact O-N 3.28Å; V40-S43 PolarHBondContact O-N 3.39Å; V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 WeakPolarHBondContact O-CB 3.27Å; V40-L44 VanDerWaalsContact O-CD1 3.28Å; V40-L44 WeakPolarHBondContact O-CD1 3.47Å; V40-L44 PolarHBondContact O-N 2.87Å
41K78.9Confident75.4Confident160 Ų160101.8 Ų101.870%0.69654%0.541SS*.Hα-helixtrans-62.8-44177.5-176.9-178.4173.2-1800112.2L37 T38 Q39 L44 S45L37-K41 VanDerWaalsContact O-CB 3.26Å; L37-K41 WeakPolarHBondContact O-CB 3.42Å; L37-K41 PolarHBondContact O-N 3.49Å; T38-K41 PolarHBondContact O-N 3.46Å; Q39-K41 VanDerWaalsContact C-N 3.34Å; K41-L44 PolarHBondContact O-N 3.38Å; K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 3.46Å
42E81.7Confident77Confident130 Ų13098.9 Ų98.961%0.60752%0.524SS*.Hα-helixtrans-63.8-43.5176.1-76.7178.2-17900111.3T38 Q39 S45 S46T38-E42 HydrophobicContact CG2-CG 4.5Å; T38-E42 WeakPolarHBondContact O-CB 3.42Å; T38-E42 WeakPolarHBondContact O-CG 3.33Å; T38-E42 PolarHBondContact O-N 2.86Å; Q39-E42 PolarHBondContact O-N 2.74Å; E42-S45 PolarHBondContact O-N 2.84Å; E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.83Å; E42-S46 PolarHBondContact O-OG 2.84Å
43S83.8Confident78.5Confident50 Ų5098.5 Ų98.535%0.3552%0.52SS..Hα-helixtrans-58.6-54174.6-177.20000110.9Q39 V40 S45 S46 Y47Q39-S43 WeakPolarHBondContact O-CB 3.26Å; Q39-S43 PolarHBondContact O-N 3.48Å; V40-S43 PolarHBondContact O-N 3.39Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 2.9Å; S43-S46 PolarHBondContact O-N 3.49Å; S43-S46 VanDerWaalsContact O-N 3.13Å; S43-S46 PolarHBondContact O-OG 2.95Å; S43-Y47 WeakPolarHBondContact O-CD2 3.26Å; S43-Y47 PolarHBondContact O-N 3.3Å
44L83.4Confident79.7Confident114 Ų11499.2 Ų99.260%0.59753%0.528SS*.Hα-helixtrans-59.7-41178-94.469.3000112.1V40 K41 Y47 W48V40-L44 HydrophobicContact CG1-CD1 3.87Å; V40-L44 WeakPolarHBondContact O-CB 3.27Å; V40-L44 VanDerWaalsContact O-CD1 3.28Å; V40-L44 WeakPolarHBondContact O-CD1 3.47Å; V40-L44 PolarHBondContact O-N 2.87Å; K41-L44 PolarHBondContact O-N 3.38Å; L44-Y47 PolarHBondContact O-N 3.45Å; L44-W48 VanDerWaalsContact O-CB 3.27Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.44Å
45S81.8Confident80.3Confident66 Ų6697.3 Ų97.346%0.46252%0.521SS..Hα-helixtrans-63.6-41.9176.6-170.60000111.4K41 E42 S43 W48 E49K41-S45 WeakPolarHBondContact O-CB 3.38Å; K41-S45 PolarHBondContact O-N 3.46Å; E42-S45 PolarHBondContact O-N 2.84Å; S43-S45 VanDerWaalsContact C-N 3.31Å; S43-S45 PolarHBondContact O-N 2.9Å; S45-W48 PolarHBondContact O-N 2.82Å; S45-E49 WeakPolarHBondContact O-CB 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.37Å
46S83.2Confident80.6Confident63 Ų6397 Ų9744%0.44151%0.513SS..Hα-helixtrans-67.6-39.5178.575.20000112E42 S43 S50E42-S46 WeakPolarHBondContact O-CB 3.43Å; E42-S46 PolarHBondContact O-N 2.83Å; E42-S46 PolarHBondContact O-OG 2.84Å; S43-S46 PolarHBondContact O-N 3.49Å; S43-S46 VanDerWaalsContact O-N 3.13Å; S43-S46 PolarHBondContact O-OG 2.95Å; S46-S50 VanDerWaalsContact O-CB 3.3Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 3.35Å; S46-S50 PolarHBondContact O-OG 3.29Å
47Y82.6Confident80.9Confident169 Ų16995.7 Ų95.766%0.66351%0.511SS*.Hα-helixtrans-65.1-43.4173.6-92.2-76.6000111.3S43 L44 S50 A51S43-Y47 WeakPolarHBondContact O-CD2 3.26Å; S43-Y47 PolarHBondContact O-N 3.3Å; L44-Y47 PolarHBondContact O-N 3.45Å; Y47-S50 PolarHBondContact O-N 2.84Å; Y47-A51 VanDerWaalsContact O-CB 3.26Å; Y47-A51 WeakPolarHBondContact O-CB 3.28Å; Y47-A51 PolarHBondContact O-N 2.98Å
48W82.5Confident80.8Confident183 Ų18396 Ų9669%0.69351%0.513SS*.Hα-helixtrans-61.5-47.3176.7-176.9-98.7000111.8L44 S45 S50 A51 K52L44-W48 VanDerWaalsContact O-CB 3.27Å; L44-W48 WeakPolarHBondContact O-CB 3.26Å; L44-W48 PolarHBondContact O-N 3.44Å; S45-W48 PolarHBondContact O-N 2.82Å; W48-S50 PolarHBondContact O-N 3.46Å; W48-A51 PolarHBondContact O-N 2.88Å; W48-K52 WeakPolarHBondContact O-CB 3.2Å; W48-K52 PolarHBondContact O-N 3.31Å
49E85.8Confident80.2Confident85 Ų8596.6 Ų96.640%0.39751%0.508SS..Hα-helixtrans-65.3-37.7176.8-73.6-57.9133.800112.1S45 K52 T53S45-E49 WeakPolarHBondContact O-CB 3.28Å; S45-E49 WeakPolarHBondContact O-CG 3.43Å; S45-E49 PolarHBondContact O-N 3.37Å; E49-K52 PolarHBondContact O-N 3.28Å; E49-K52 IonicContact OE1-NZ 3.95Å; E49-K52 IonicContact OE2-NZ 3.99Å; E49-T53 VanDerWaalsContact O-CB 3.28Å; E49-T53 WeakPolarHBondContact O-CB 3.07Å; E49-T53 PolarHBondContact O-N 2.99Å; E49-T53 PolarHBondContact O-OG1 2.82Å
50S85Confident79.8Confident76 Ų7696.5 Ų96.553%0.53151%0.507SS..Hα-helixtrans-65.1-45.4175-61.40000111.6S46 Y47 W48 T53 A54S46-S50 VanDerWaalsContact O-CB 3.3Å; S46-S50 WeakPolarHBondContact O-CB 3.48Å; S46-S50 PolarHBondContact O-N 3.35Å; S46-S50 PolarHBondContact O-OG 3.29Å; Y47-S50 PolarHBondContact O-N 2.84Å; W48-S50 PolarHBondContact O-N 3.46Å; S50-T53 PolarHBondContact O-N 3.49Å; S50-A54 WeakPolarHBondContact O-CB 3.37Å; S50-A54 PolarHBondContact O-N 3.13Å
51A80.8Confident79.1Confident57 Ų57102.3 Ų102.347%0.47153%0.528SS..Hα-helixtrans-64.3-43177.300000111.4Y47 W48 A54 A55Y47-A51 VanDerWaalsContact O-CB 3.26Å; Y47-A51 WeakPolarHBondContact O-CB 3.28Å; Y47-A51 PolarHBondContact O-N 2.98Å; W48-A51 PolarHBondContact O-N 2.88Å; A51-A54 PolarHBondContact O-N 3.37Å; A51-A55 VanDerWaalsContact O-CB 3.27Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.36Å
52K80.2Confident78.3Confident106 Ų10696.9 Ų96.946%0.46151%0.508SS..Hα-helixtrans-61.9-45.8175.1-179.3-176171.1-163.20111.4W48 E49 A55 Q56W48-K52 WeakPolarHBondContact O-CB 3.2Å; W48-K52 PolarHBondContact O-N 3.31Å; E49-K52 PolarHBondContact O-N 3.28Å; E49-K52 IonicContact OE1-NZ 3.95Å; E49-K52 IonicContact OE2-NZ 3.99Å; K52-A55 PolarHBondContact O-N 2.89Å; K52-Q56 VanDerWaalsContact O-CB 3.28Å; K52-Q56 WeakPolarHBondContact O-CB 3.35Å; K52-Q56 PolarHBondContact O-N 2.8Å
53T84.1Confident77Confident83 Ų8398.1 Ų98.151%0.50951%0.509SS..Hα-helixtrans-63.9-41.8177.7-57.70000111.1E49 S50 Q56 N57E49-T53 VanDerWaalsContact O-CB 3.28Å; E49-T53 WeakPolarHBondContact O-CB 3.07Å; E49-T53 PolarHBondContact O-N 2.99Å; E49-T53 PolarHBondContact O-OG1 2.82Å; S50-T53 PolarHBondContact O-N 3.49Å; T53-Q56 PolarHBondContact O-N 2.84Å; T53-N57 VanDerWaalsContact O-CB 3.26Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 2.8Å
54A82.8Confident75.7Confident61 Ų61100.7 Ų100.750%0.50452%0.518SS..Hα-helixtrans-64.7-43.4175.600000112.1S50 A51 N57 L58S50-A54 WeakPolarHBondContact O-CB 3.37Å; S50-A54 PolarHBondContact O-N 3.13Å; A51-A54 PolarHBondContact O-N 3.37Å; A54-N57 PolarHBondContact O-N 3.39Å; A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 2.92Å; A54-L58 PolarHBondContact O-N 3.46Å
55A76.3Confident74.6Confident61 Ų61100.1 Ų100.150%0.50452%0.521SS..Hα-helixtrans-65.4-41.7176.700000111.7A51 K52 L58 Y59A51-A55 VanDerWaalsContact O-CB 3.27Å; A51-A55 WeakPolarHBondContact O-CB 3.27Å; A51-A55 PolarHBondContact O-N 3.36Å; K52-A55 PolarHBondContact O-N 2.89Å; A55-L58 PolarHBondContact O-N 2.88Å; A55-Y59 WeakPolarHBondContact O-CB 3.38Å; A55-Y59 PolarHBondContact O-N 2.85Å
56Q76.5Confident73.7Confident99 Ų9999.3 Ų99.346%0.46352%0.518SS..Hα-helixtrans-66.4-45.3176.4-175.7173.7-5.500111.2K52 T53 L58 Y59 E60K52-Q56 VanDerWaalsContact O-CB 3.28Å; K52-Q56 WeakPolarHBondContact O-CB 3.35Å; K52-Q56 PolarHBondContact O-N 2.8Å; T53-Q56 PolarHBondContact O-N 2.84Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 2.81Å; Q56-Y59 PolarHBondContact O-N 3.34Å; Q56-Y59 VanDerWaalsContact O-N 3.13Å; Q56-E60 HydrophobicContact CG-CG 4.41Å; Q56-E60 PolarHBondContact NE2-OE1 2.96Å; Q56-E60 WeakPolarHBondContact O-CB 3.26Å; Q56-E60 WeakPolarHBondContact O-CG 3.43Å; Q56-E60 PolarHBondContact O-N 2.84Å
57N78.9Confident72.8Confident93 Ų9398 Ų9850%0.49751%0.508SS..Hα-helixtrans-59.3-41.6174.8-169.5-75.6000110.9T53 A54 K61T53-N57 VanDerWaalsContact O-CB 3.26Å; T53-N57 WeakPolarHBondContact O-CB 3.29Å; T53-N57 PolarHBondContact O-N 2.8Å; A54-N57 PolarHBondContact O-N 3.39Å; N57-K61 WeakPolarHBondContact O-CB 3.44Å; N57-K61 PolarHBondContact O-N 3.22Å
58L72.3Confident72Confident110 Ų11093.5 Ų93.558%0.57650%0.495SS*.Hα-helixtrans-66.2-39.9175.9-167129.5000111.6A54 A55 Q56 T62A54-L58 VanDerWaalsContact O-CB 3.29Å; A54-L58 WeakPolarHBondContact O-CB 2.92Å; A54-L58 PolarHBondContact O-N 3.46Å; A55-L58 PolarHBondContact O-N 2.88Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 2.81Å; L58-T62 VanDerWaalsContact O-CA 3.26Å; L58-T62 WeakPolarHBondContact O-CA 3.45Å; L58-T62 WeakPolarHBondContact O-CB 3.45Å; L58-T62 PolarHBondContact O-N 2.77Å; L58-T62 PolarHBondContact O-OG1 2.67Å
59Y65.7Low71.3Confident83 Ų8390.7 Ų90.733%0.32549%0.489SS..Hα-helixtrans-66-43.2176.3-174.5-102.7000112.2A55 Q56 T62 Y63 V67 D68A55-Y59 WeakPolarHBondContact O-CB 3.38Å; A55-Y59 PolarHBondContact O-N 2.85Å; Q56-Y59 PolarHBondContact O-N 3.34Å; Q56-Y59 VanDerWaalsContact O-N 3.13Å; Y59-T62 CarbonylContact O-C 3.59Å; Y59-T62 VanDerWaalsContact O-C 3.25Å; Y59-Y63 HydrophobicContact CD1-CD2 4.3Å; Y59-Y63 HydrophobicContact CD1-CE2 4.35Å; Y59-Y63 AromaticContact CE1-CD2 3.94Å; Y59-Y63 HydrophobicContact CE1-CD2 3.94Å; Y59-Y63 AromaticContact CE1-CE2 3.58Å; Y59-Y63 HydrophobicContact CE1-CE2 3.58Å; Y59-Y63 AromaticContact CZ-CE2 3.85Å; Y59-Y63 WeakPolarHBondContact O-CA 3.26Å; Y59-Y63 PolarHBondContact O-N 3.4Å; Y59-V67 HydrophobicContact CD2-CG1 3.94Å; Y59-V67 HydrophobicContact CE2-CG1 3.95Å; Y59-D68 PolarHBondContact OH-OD1 3.46Å
60E69.6Low70.6Confident121 Ų12193.8 Ų93.857%0.56550%0.501SS*.Hα-helixtrans-69-42.4177.1-71.9177.2-174.300111.9Q56Q56-E60 HydrophobicContact CG-CG 4.41Å; Q56-E60 PolarHBondContact NE2-OE1 2.96Å; Q56-E60 WeakPolarHBondContact O-CB 3.26Å; Q56-E60 WeakPolarHBondContact O-CG 3.43Å; Q56-E60 PolarHBondContact O-N 2.84Å
61K65.8Low69.8Low179 Ų17995.2 Ų95.278%0.77850%0.503SS*.Hα-helixtrans-75.9-31.5179.8-169.1174.3-177.3178.40112.7N57N57-K61 WeakPolarHBondContact O-CB 3.44Å; N57-K61 PolarHBondContact O-N 3.22Å
62T62.4Low69.2Low45 Ų45101 Ų10128%0.27651%0.512SS..THydrogen-bonded Turntrans-105.639.7175.9-38.90000108.7L58 Y59 L64 V67L58-T62 VanDerWaalsContact O-CA 3.26Å; L58-T62 WeakPolarHBondContact O-CA 3.45Å; L58-T62 WeakPolarHBondContact O-CB 3.45Å; L58-T62 PolarHBondContact O-N 2.77Å; L58-T62 PolarHBondContact O-OG1 2.67Å; Y59-T62 CarbonylContact O-C 3.59Å; Y59-T62 VanDerWaalsContact O-C 3.25Å; T62-L64 HydrophobicContact CG2-CB 4.27Å; T62-L64 HydrophobicContact CG2-CD1 3.56Å; T62-L64 HydrophobicContact CG2-CG 4.41Å; T62-L64 PolarHBondContact O-N 2.75Å; T62-V67 HydrophobicContact CG2-CG2 4.11Å; T62-V67 WeakPolarHBondContact O-CG2 3.13Å
63Y53Low69Low157 Ų157100.7 Ų100.762%0.61652%0.516SS*.  trans-68.956.4163.2-143.8-93.2000108.5Y59Y59-Y63 HydrophobicContact CD1-CD2 4.3Å; Y59-Y63 HydrophobicContact CD1-CE2 4.35Å; Y59-Y63 AromaticContact CE1-CD2 3.94Å; Y59-Y63 HydrophobicContact CE1-CD2 3.94Å; Y59-Y63 AromaticContact CE1-CE2 3.58Å; Y59-Y63 HydrophobicContact CE1-CE2 3.58Å; Y59-Y63 AromaticContact CZ-CE2 3.85Å; Y59-Y63 WeakPolarHBondContact O-CA 3.26Å; Y59-Y63 PolarHBondContact O-N 3.4Å
64L56.4Low68.4Low103 Ų103102.4 Ų102.454%0.53952%0.521SS..  trans-91.2129.8167.6-83.2149.4000103.7T62 A66 V67T62-L64 HydrophobicContact CG2-CB 4.27Å; T62-L64 HydrophobicContact CG2-CD1 3.56Å; T62-L64 HydrophobicContact CG2-CG 4.41Å; T62-L64 PolarHBondContact O-N 2.75Å; L64-A66 HydrophobicContact CB-CB 4.24Å; L64-A66 PolarHBondContact O-N 2.78Å; L64-V67 PolarHBondContact O-N 2.93Å
65P60.1Low67.5Low103 Ų103107.4 Ų107.467%0.66953%0.528SS*.Hα-helixtrans-50.5-17.6175.817-29.8000113.6V67 D68 E69P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.35Å; P65-D68 PolarHBondContact O-N 3.31Å; P65-E69 WeakPolarHBondContact O-CB 3.29Å; P65-E69 PolarHBondContact O-N 3.45Å
66A63.4Low67.2Low49 Ų49107.9 Ų107.941%0.40553%0.528SS..Hα-helixtrans-56.7-32.1171.200000115.2L64 K70L64-A66 HydrophobicContact CB-CB 4.24Å; L64-A66 PolarHBondContact O-N 2.78Å; A66-K70 WeakPolarHBondContact O-CB 3.4Å; A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 3.45Å
67V64.2Low66.7Low36 Ų36110.1 Ų110.122%0.21854%0.536CS..Hα-helixtrans-73.8-45.2179.6-179.10000110.7Y59 T62 L64 P65 E69 K70 L71Y59-V67 HydrophobicContact CD2-CG1 3.94Å; Y59-V67 HydrophobicContact CE2-CG1 3.95Å; T62-V67 HydrophobicContact CG2-CG2 4.11Å; T62-V67 WeakPolarHBondContact O-CG2 3.13Å; L64-V67 PolarHBondContact O-N 2.93Å; P65-V67 VanDerWaalsContact C-N 3.31Å; P65-V67 PolarHBondContact O-N 3.35Å; V67-E69 VanDerWaalsContact C-N 3.34Å; V67-K70 PolarHBondContact O-N 2.9Å; V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 WeakPolarHBondContact O-CG 3.19Å; V67-L71 PolarHBondContact O-N 2.8Å
68D66.2Low65.8Low73 Ų73107.9 Ų107.939%0.3953%0.528SS..Hα-helixtrans-63.6-41.4175.2-72.8-44.7000111.4Y59 P65 L71 R72Y59-D68 PolarHBondContact OH-OD1 3.46Å; P65-D68 PolarHBondContact O-N 3.31Å; D68-L71 PolarHBondContact O-N 3.38Å; D68-R72 VanDerWaalsContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 PolarHBondContact O-N 3.35Å
69E67.4Low65.3Low124 Ų124106 Ų10658%0.57952%0.521SS*.Hα-helixtrans-64.9-42.6175.8-168.7176.6-177.900111.6P65 V67 R72 D73P65-E69 WeakPolarHBondContact O-CB 3.29Å; P65-E69 PolarHBondContact O-N 3.45Å; V67-E69 VanDerWaalsContact C-N 3.34Å; E69-R72 PolarHBondContact O-N 3.01Å; E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.36Å
70K71.1Confident65.1Low150 Ų150104.7 Ų104.765%0.65253%0.527SS*.Hα-helixtrans-63.6-44.2174.2-85.6177.6176.2-74.90111.9A66 V67 R72 D73 L74A66-K70 WeakPolarHBondContact O-CB 3.4Å; A66-K70 VanDerWaalsContact O-CG 3.29Å; A66-K70 WeakPolarHBondContact O-CG 3.21Å; A66-K70 PolarHBondContact O-N 3.45Å; V67-K70 PolarHBondContact O-N 2.9Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.49Å; K70-D73 PolarHBondContact O-N 2.86Å; K70-L74 WeakPolarHBondContact O-CB 3.23Å; K70-L74 PolarHBondContact O-N 2.82Å
71L68.7Low64.5Low106 Ų106101.4 Ų101.456%0.55552%0.521SS*.Hα-helixtrans-62.8-41177.5-78.2172000110.7V67 D68 Y75V67-L71 HydrophobicContact CG1-CD1 4.03Å; V67-L71 HydrophobicContact CG1-CG 4.38Å; V67-L71 WeakPolarHBondContact O-CB 3.36Å; V67-L71 WeakPolarHBondContact O-CG 3.19Å; V67-L71 PolarHBondContact O-N 2.8Å; D68-L71 PolarHBondContact O-N 3.38Å; L71-Y75 WeakPolarHBondContact O-CB 3.29Å; L71-Y75 PolarHBondContact O-N 2.8Å
72R68.9Low63.7Low178 Ų17898.6 Ų98.667%0.67251%0.512SS*.Hα-helixtrans-67.8-46.8176.9-170.1170.867.5140.31.4112.5D68 E69 K70 L74 Y75 S76D68-R72 VanDerWaalsContact O-CB 3.24Å; D68-R72 WeakPolarHBondContact O-CB 3.46Å; D68-R72 PolarHBondContact O-N 3.35Å; E69-R72 PolarHBondContact O-N 3.01Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.49Å; R72-L74 VanDerWaalsContact C-N 3.33Å; R72-Y75 PolarHBondContact O-N 3.33Å; R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 2.79Å; R72-S76 PolarHBondContact O-OG 3.48Å
73D75.2Confident63.4Low101 Ų101100.4 Ų100.454%0.5453%0.526SS..Hα-helixtrans-61.8-44.1175.9-178.768.2000110.8E69 K70 Y75 S76 K77E69-D73 WeakPolarHBondContact O-CB 3.38Å; E69-D73 PolarHBondContact O-N 3.36Å; K70-D73 PolarHBondContact O-N 2.86Å; D73-Y75 VanDerWaalsContact C-N 3.35Å; D73-Y75 PolarHBondContact O-N 3.48Å; D73-S76 PolarHBondContact O-N 2.65Å; D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 PolarHBondContact O-N 3.4Å
74L70.9Confident63.7Low119 Ų11997.8 Ų97.862%0.62353%0.527SS*.Hα-helixtrans-69.1-34.5179.7-155.2150.1000110.9K70 R72 S78K70-L74 WeakPolarHBondContact O-CB 3.23Å; K70-L74 PolarHBondContact O-N 2.82Å; R72-L74 VanDerWaalsContact C-N 3.33Å; L74-S78 WeakPolarHBondContact O-CA 3.33Å; L74-S78 WeakPolarHBondContact O-CB 3.18Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 2.82Å
75Y64.6Low63.2Low166 Ų166100.9 Ų100.965%0.65153%0.533SS*.Hα-helixtrans-69.6-42.5171.3-170.9-92000112.5L71 R72 D73 S78 T79L71-Y75 WeakPolarHBondContact O-CB 3.29Å; L71-Y75 PolarHBondContact O-N 2.8Å; R72-Y75 PolarHBondContact O-N 3.33Å; D73-Y75 VanDerWaalsContact C-N 3.35Å; D73-Y75 PolarHBondContact O-N 3.48Å; Y75-S78 WeakPolarHBondContact CA-OG 3.36Å; Y75-S78 PolarHBondContact O-OG 2.76Å; Y75-S78 VanDerWaalsContact O-OG 3.07Å; Y75-T79 WeakPolarHBondContact O-CB 3.12Å; Y75-T79 PolarHBondContact O-N 2.74Å; Y75-T79 PolarHBondContact O-OG1 2.95Å
76S69.7Low62.9Low71 Ų7198.7 Ų98.750%0.49752%0.517SS..Hα-helixtrans-65.1-42.9175.6-72.30000111.4R72 D73 T79 A80R72-S76 WeakPolarHBondContact O-CB 3.24Å; R72-S76 PolarHBondContact O-N 2.79Å; R72-S76 PolarHBondContact O-OG 3.48Å; D73-S76 PolarHBondContact O-N 2.65Å; S76-T79 PolarHBondContact O-N 3.37Å; S76-A80 WeakPolarHBondContact O-CB 3.02Å; S76-A80 PolarHBondContact O-N 3.28Å
77K67.2Low62.5Low145 Ų14598.9 Ų98.963%0.6352%0.524SS*.Hα-helixtrans-73.2-38178.7-168.5172.4-172.3172.90112.1D73 A80 A81D73-K77 WeakPolarHBondContact O-CB 2.99Å; D73-K77 PolarHBondContact O-N 3.4Å; K77-A80 PolarHBondContact O-N 2.83Å; K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 2.82Å
78S58.6Low62.2Low47 Ų47102.1 Ų102.133%0.32954%0.539SS..Hα-helixtrans-67.1-42.3172.271.20000109.9L74 Y75 A80 A81 M82L74-S78 WeakPolarHBondContact O-CA 3.33Å; L74-S78 WeakPolarHBondContact O-CB 3.18Å; L74-S78 PolarHBondContact O-N 2.8Å; L74-S78 PolarHBondContact O-OG 2.82Å; Y75-S78 WeakPolarHBondContact CA-OG 3.36Å; Y75-S78 PolarHBondContact O-OG 2.76Å; Y75-S78 VanDerWaalsContact O-OG 3.07Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.48Å; S78-A81 PolarHBondContact O-N 3.49Å; S78-M82 VanDerWaalsContact O-CA 3.32Å; S78-M82 WeakPolarHBondContact O-CA 2.91Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 PolarHBondContact O-N 2.94Å
79T62.4Low61.6Low69 Ų69105 Ų10542%0.42355%0.548SS..Hα-helixtrans-61.9-38.4174.9-58.90000111.3Y75 S76 S83Y75-T79 WeakPolarHBondContact O-CB 3.12Å; Y75-T79 PolarHBondContact O-N 2.74Å; Y75-T79 PolarHBondContact O-OG1 2.95Å; S76-T79 PolarHBondContact O-N 3.37Å; T79-S83 VanDerWaalsContact O-CB 3.28Å; T79-S83 WeakPolarHBondContact O-CB 3.22Å; T79-S83 PolarHBondContact O-N 2.78Å
80A61.1Low61.1Low56 Ų56102.4 Ų102.446%0.46354%0.541SS..Hα-helixtrans-71.8-39.9175.500000113.3S76 K77 S78 S83 T84S76-A80 WeakPolarHBondContact O-CB 3.02Å; S76-A80 PolarHBondContact O-N 3.28Å; K77-A80 PolarHBondContact O-N 2.83Å; S78-A80 VanDerWaalsContact C-N 3.3Å; S78-A80 PolarHBondContact O-N 3.48Å; A80-S83 PolarHBondContact O-OG 3.15Å; A80-T84 PolarHBondContact O-N 2.88Å; A80-T84 PolarHBondContact O-OG1 3.16Å
81A57.6Low60.5Low52 Ų52100.7 Ų100.743%0.4354%0.539SS..Hα-helixtrans-70.9-41.5176.300000111K77 S78 T84 Y85K77-A81 VanDerWaalsContact O-CB 3.23Å; K77-A81 WeakPolarHBondContact O-CB 3.4Å; K77-A81 PolarHBondContact O-N 2.82Å; S78-A81 PolarHBondContact O-N 3.49Å; A81-T84 WeakPolarHBondContact O-CB 3.48Å; A81-T84 PolarHBondContact O-N 2.77Å; A81-Y85 WeakPolarHBondContact O-CD2 3.33Å; A81-Y85 PolarHBondContact O-N 3.43Å; A81-Y85 VanDerWaalsContact O-N 3.1Å
82M49.4Very low60Low120 Ų120101.1 Ų101.159%0.59154%0.538SS*.Hα-helixtrans-67.3-40.6176-159.4153.9-149.200108.8S78 T84 Y85 T86S78-M82 VanDerWaalsContact O-CA 3.32Å; S78-M82 WeakPolarHBondContact O-CA 2.91Å; S78-M82 WeakPolarHBondContact O-CB 3.32Å; S78-M82 PolarHBondContact O-N 2.94Å; M82-T84 PolarHBondContact O-N 3.42Å; M82-Y85 CarbonylContact O-C 3.22Å; M82-Y85 WeakPolarHBondContact O-CA 3.28Å; M82-Y85 PolarHBondContact O-N 2.98Å; M82-T86 VanDerWaalsContact C-OG1 3.3Å; M82-T86 VanDerWaalsContact CG-OG1 3.22Å; M82-T86 WeakPolarHBondContact CG-OG1 3.48Å; M82-T86 WeakPolarHBondContact O-CA 2.99Å; M82-T86 WeakPolarHBondContact O-CB 3.5Å; M82-T86 PolarHBondContact O-N 3.45Å; M82-T86 PolarHBondContact O-OG1 2.82Å
83S56.1Low59.5Low83 Ų8395.8 Ų95.858%0.5853%0.526SS*.Hα-helixtrans-56.4-30.4174.175.50000112.9T79 A80T79-S83 VanDerWaalsContact O-CB 3.28Å; T79-S83 WeakPolarHBondContact O-CB 3.22Å; T79-S83 PolarHBondContact O-N 2.78Å; A80-S83 PolarHBondContact O-OG 3.15Å
84T58.5Low58.6Low102 Ų10295.1 Ų95.163%0.62652%0.521SS*.Hα-helixtrans-75.2-37.2173.8-51.20000112.2A80 A81 M82A80-T84 PolarHBondContact O-N 2.88Å; A80-T84 PolarHBondContact O-OG1 3.16Å; A81-T84 WeakPolarHBondContact O-CB 3.48Å; A81-T84 PolarHBondContact O-N 2.77Å; M82-T84 PolarHBondContact O-N 3.42Å
85Y46.2Very low58.1Low169 Ų16991.9 Ų91.966%0.66351%0.509SS*.Hα-helixtrans-89.5-22.4179.9-84.7-81.8000114.8A81 M82 G87 I88 F89A81-Y85 WeakPolarHBondContact O-CD2 3.33Å; A81-Y85 PolarHBondContact O-N 3.43Å; A81-Y85 VanDerWaalsContact O-N 3.1Å; M82-Y85 CarbonylContact O-C 3.22Å; M82-Y85 WeakPolarHBondContact O-CA 3.28Å; M82-Y85 PolarHBondContact O-N 2.98Å; Y85-G87 VanDerWaalsContact C-N 3.29Å; Y85-G87 PolarHBondContact O-N 3.3Å; Y85-I88 PolarHBondContact O-N 2.98Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; Y85-F89 VanDerWaalsContact O-CB 3.29Å; Y85-F89 WeakPolarHBondContact O-CB 3.29Å; Y85-F89 PolarHBondContact O-N 3.32Å
86T53.8Low57.9Low56 Ų5689.7 Ų89.734%0.34451%0.513SS..Hα-helixtrans-68.7-32-176.7-62.10000109.8M82 I88 T90M82-T86 VanDerWaalsContact C-OG1 3.3Å; M82-T86 VanDerWaalsContact CG-OG1 3.22Å; M82-T86 WeakPolarHBondContact CG-OG1 3.48Å; M82-T86 WeakPolarHBondContact O-CA 2.99Å; M82-T86 WeakPolarHBondContact O-CB 3.5Å; M82-T86 PolarHBondContact O-N 3.45Å; M82-T86 PolarHBondContact O-OG1 2.82Å; T86-I88 VanDerWaalsContact C-N 3.31Å; T86-I88 PolarHBondContact O-N 3.25Å; T86-T90 WeakPolarHBondContact CG2-OG1 3.42Å; T86-T90 WeakPolarHBondContact O-CA 3.36Å; T86-T90 WeakPolarHBondContact O-CB 3.47Å; T86-T90 PolarHBondContact O-N 3.07Å; T86-T90 PolarHBondContact O-OG1 2.81Å
87G55.5Low57.2Low54 Ų5493.5 Ų93.556%0.55753%0.527SS*.Hα-helixtrans-57.8-45.3171.800000111.8Y85 D91Y85-G87 VanDerWaalsContact C-N 3.29Å; Y85-G87 PolarHBondContact O-N 3.3Å; G87-D91 WeakPolarHBondContact O-CB 3.18Å; G87-D91 PolarHBondContact O-N 3.42Å
88I57.4Low56.9Low104 Ų10493.7 Ų93.753%0.53353%0.527SS..Hα-helixtrans-84.5-35.5-177-49-178.4000111.4Y85 T86 Q92Y85-I88 PolarHBondContact O-N 2.98Å; Y85-I88 VanDerWaalsContact O-N 3.16Å; T86-I88 VanDerWaalsContact C-N 3.31Å; T86-I88 PolarHBondContact O-N 3.25Å; I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.93Å; I88-Q92 PolarHBondContact O-NE2 3.48Å
89F52.6Low56.6Low132 Ų13294.1 Ų94.158%0.57954%0.539SS*.Hα-helixtrans-75.7-38.4-179.1-165.9-98.4000111.7Y85 D91 Q92 V93Y85-F89 VanDerWaalsContact O-CB 3.29Å; Y85-F89 WeakPolarHBondContact O-CB 3.29Å; Y85-F89 PolarHBondContact O-N 3.32Å; F89-D91 VanDerWaalsContact C-N 3.31Å; F89-Q92 PolarHBondContact O-N 2.78Å; F89-V93 HydrophobicContact CD1-CG2 3.7Å; F89-V93 HydrophobicContact CE1-CG2 3.37Å; F89-V93 HydrophobicContact CE2-CG2 4.22Å; F89-V93 HydrophobicContact CG-CG2 4.28Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 VanDerWaalsContact O-CB 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.28Å; F89-V93 VanDerWaalsContact O-CG2 3.23Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.91Å
90T58Low56.2Low70 Ų7097.9 Ų97.943%0.42955%0.552SS.*Hα-helixtrans-65.3-40.3174.1-51.90000110T86 L94T86-T90 WeakPolarHBondContact CG2-OG1 3.42Å; T86-T90 WeakPolarHBondContact O-CA 3.36Å; T86-T90 WeakPolarHBondContact O-CB 3.47Å; T86-T90 PolarHBondContact O-N 3.07Å; T86-T90 PolarHBondContact O-OG1 2.81Å; T90-L94 WeakPolarHBondContact O-CA 3.4Å; T90-L94 WeakPolarHBondContact O-CB 3.07Å; T90-L94 PolarHBondContact O-N 2.7Å
91D59Low55.4Low114 Ų114107.9 Ų107.961%0.6159%0.589SS**Hα-helixtrans-66.7-44.4177.8-160.273.2000111.8G87 F89 L94 S95G87-D91 WeakPolarHBondContact O-CB 3.18Å; G87-D91 PolarHBondContact O-N 3.42Å; F89-D91 VanDerWaalsContact C-N 3.31Å; D91-L94 PolarHBondContact O-N 2.75Å; D91-S95 WeakPolarHBondContact O-CB 3.2Å; D91-S95 PolarHBondContact O-N 2.61Å
92Q58.4Low55.3Low115 Ų115110.7 Ų110.754%0.53760%0.597SS.*Hα-helixtrans-64.7-43.5175.3-77.1178.6100.400112.7I88 F89 V96I88-Q92 WeakPolarHBondContact O-CB 3.23Å; I88-Q92 WeakPolarHBondContact O-CG 3.37Å; I88-Q92 PolarHBondContact O-N 2.93Å; I88-Q92 PolarHBondContact O-NE2 3.48Å; F89-Q92 PolarHBondContact O-N 2.78Å; Q92-V96 WeakPolarHBondContact O-CB 3.07Å; Q92-V96 WeakPolarHBondContact O-CG2 3.39Å; Q92-V96 PolarHBondContact O-N 2.86Å
93V57.1Low55.6Low67 Ų67110.2 Ų110.241%0.40660%0.598SS.*Hα-helixtrans-67.8-41.3178.3171.60000110.5F89 V96 L97F89-V93 HydrophobicContact CD1-CG2 3.7Å; F89-V93 HydrophobicContact CE1-CG2 3.37Å; F89-V93 HydrophobicContact CE2-CG2 4.22Å; F89-V93 HydrophobicContact CG-CG2 4.28Å; F89-V93 HydrophobicContact CZ-CG2 3.65Å; F89-V93 VanDerWaalsContact O-CB 3.28Å; F89-V93 WeakPolarHBondContact O-CB 3.28Å; F89-V93 VanDerWaalsContact O-CG2 3.23Å; F89-V93 WeakPolarHBondContact O-CG2 3.49Å; F89-V93 PolarHBondContact O-N 2.91Å; V93-V96 PolarHBondContact O-N 3.01Å; V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.42Å; V93-L97 PolarHBondContact O-N 3.44Å
94L57.4Low55.6Low86 Ų86111.7 Ų111.745%0.4560%0.599SS.*Hα-helixtrans-73.7-32.1-178.9-161.3135.2000112T90 D91 L97 K98T90-L94 WeakPolarHBondContact O-CA 3.4Å; T90-L94 WeakPolarHBondContact O-CB 3.07Å; T90-L94 PolarHBondContact O-N 2.7Å; D91-L94 PolarHBondContact O-N 2.75Å; L94-L97 PolarHBondContact O-N 3.42Å; L94-K98 HydrophobicContact CD2-CD 4.09Å; L94-K98 WeakPolarHBondContact O-CB 3.2Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.74Å
95S60.1Low55.4Low51 Ų51112.3 Ų112.336%0.35760%0.597SS.*Hα-helixtrans-67.6-46.4171.2177.10000111.1D91 L97 K98 G99D91-S95 WeakPolarHBondContact O-CB 3.2Å; D91-S95 PolarHBondContact O-N 2.61Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.26Å; S95-K98 CarbonylContact O-C 3.43Å; S95-K98 PolarHBondContact O-N 3.47Å; S95-K98 VanDerWaalsContact O-N 3.15Å; S95-G99 PolarHBondContact O-N 3.2Å
96V59.6Low56Low121 Ų121108.8 Ų108.873%0.73359%0.593SS**Hα-helixtrans-62.2-37.5172.61720000111.3Q92 V93 K98 G99Q92-V96 WeakPolarHBondContact O-CB 3.07Å; Q92-V96 WeakPolarHBondContact O-CG2 3.39Å; Q92-V96 PolarHBondContact O-N 2.86Å; V93-V96 PolarHBondContact O-N 3.01Å; V96-K98 VanDerWaalsContact C-N 3.34Å; V96-G99 PolarHBondContact O-N 2.68Å
97L55.9Low56.1Low151 Ų151112.3 Ų112.379%0.79161%0.609SS**Hα-helixtrans-70.4-30.7176.7-142.888.9000112.7V93 L94 S95 G99V93-L97 VanDerWaalsContact O-CB 3.29Å; V93-L97 WeakPolarHBondContact O-CB 3.42Å; V93-L97 PolarHBondContact O-N 3.44Å; L94-L97 PolarHBondContact O-N 3.42Å; S95-L97 VanDerWaalsContact C-N 3.29Å; S95-L97 PolarHBondContact O-N 3.26Å; L97-G99 VanDerWaalsContact C-N 3.34Å
98K59.7Low56.2Low148 Ų148116.4 Ų116.464%0.64361%0.613SS**Hα-helixtrans-82.1-12.7175.5-84.4-173173.4-175.20113.4L94 S95 V96 E100L94-K98 HydrophobicContact CD2-CD 4.09Å; L94-K98 WeakPolarHBondContact O-CB 3.2Å; L94-K98 WeakPolarHBondContact O-CG 3.43Å; L94-K98 PolarHBondContact O-N 2.74Å; S95-K98 CarbonylContact O-C 3.43Å; S95-K98 PolarHBondContact O-N 3.47Å; S95-K98 VanDerWaalsContact O-N 3.15Å; V96-K98 VanDerWaalsContact C-N 3.34Å; K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.1Å
99G53.4Low56.1Low56 Ų56117.4 Ų117.458%0.57762%0.619SS**THydrogen-bonded Turntrans62.738.6175.400000112.9S95 V96 L97S95-G99 PolarHBondContact O-N 3.2Å; V96-G99 PolarHBondContact O-N 2.68Å; L97-G99 VanDerWaalsContact C-N 3.34Å
100E52.6Low56.4Low149 Ų149116.2 Ų116.270%0.69662%0.623SS**  trans-81.9117161.5-85.6173.99200107.8K98K98-E100 VanDerWaalsContact C-N 3.32Å; K98-E100 PolarHBondContact O-N 3.1Å
101E45.1Very low56.2Low266 Ų266120.4 Ų120.4100%1.24364%0.64SS**  trans-56.30179.4-65.4174.893.700114.5

Retrieved 101 of 101 residues in 502.4 ms (Link to these results)