A0A087WRZ7_MOUSE Loading...

Myosin light chain 1/3, skeletal muscle isoform

Non-regulatory myosin light chain required for proper formation and/or maintenance of myofibers, and thus appropriate muscle function.

AlphaFold DB , UniProt , Accession A0A087WRZ7, Species MOUSE (Mus musculus, Mouse), Gene Myl1, Length 92 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
1M45.5Very low83.5Confident242 Ų242143.1 Ų143.1100%1.19270%0.7SS**  0112.40-78.3173.7169.900108.1A3M1-A3 PolarHBondContact O-N 2.89Å
2N58.2Low84.5Confident163 Ų163135.3 Ų135.387%0.87266%0.663SS**  trans-85.897.7170.3-89.4-28.5000107.8K4N2-K4 PolarHBondContact O-N 3.04Å; N2-K4 VanDerWaalsContact O-N 3.12Å
3A71.1Confident85.4Confident89 Ų89130 Ų13074%0.73665%0.646SS**  trans-71.8103.8172.300000108.4M1M1-A3 PolarHBondContact O-N 2.89Å
4K85.3Confident86.1Confident200 Ų200127.6 Ų127.687%0.8763%0.633SS**  trans-74.7127.3170.2-66-176.4-179.4179.90108.2N2N2-K4 PolarHBondContact O-N 3.04Å; N2-K4 VanDerWaalsContact O-N 3.12Å
5K89.8Confident86.6Confident181 Ų181124.9 Ų124.979%0.78762%0.62SS**  trans-111.5143.1172.1-64.7-175.8179-176.80108.5
6I92.7Very high87.1Confident98 Ų98123.6 Ų123.650%0.50361%0.611SS.*  trans-126.4126177.6-61.2178.3000106.3Q10 F11I6-Q10 HydrophobicContact CG2-CB 3.79Å; I6-F11 HydrophobicContact CG2-CB 3.98Å
7E95.7Very high87.5Confident127 Ų127120.3 Ų120.359%0.59361%0.608SS**  trans-78.8155.3173.2-64.3-59.4149.900110.4E9 Q10 F11E7-E9 VanDerWaalsContact C-N 3.26Å; E7-E9 PolarHBondContact O-N 3.17Å; E7-Q10 HydrophobicContact CB-CG 4.31Å; E7-Q10 WeakPolarHBondContact O-CA 3.34Å; E7-Q10 WeakPolarHBondContact O-CB 3.42Å; E7-Q10 PolarHBondContact O-N 3Å; E7-F11 PolarHBondContact O-N 3.22Å
8F94.8Very high87.7Confident128 Ų128120.4 Ų120.456%0.56161%0.609SS**Hα-helixtrans-54.9-42.3-178.6178.8-102.3000112.8Q10 F11 L12F8-Q10 PolarHBondContact O-N 2.88Å; F8-Q10 VanDerWaalsContact O-N 3.17Å; F8-F11 PolarHBondContact O-N 2.96Å; F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD1 4.41Å; F8-L12 PolarHBondContact O-N 2.99Å
9E96Very high87.8Confident143 Ų143118.8 Ų118.867%0.66861%0.611SS**Hα-helixtrans-62.1-22.9177.1-59.6-55.7146.100113.3E7 P13E7-E9 VanDerWaalsContact C-N 3.26Å; E7-E9 PolarHBondContact O-N 3.17Å; E9-P13 WeakPolarHBondContact O-CD 3.33Å
10Q93.8Very high87.9Confident103 Ų103119 Ų11948%0.48161%0.613SS.*Hα-helixtrans-87.9-32.8174.5-61.2175-3600111.6I6 E7 F8 P13 M14I6-Q10 HydrophobicContact CG2-CB 3.79Å; E7-Q10 HydrophobicContact CB-CG 4.31Å; E7-Q10 WeakPolarHBondContact O-CA 3.34Å; E7-Q10 WeakPolarHBondContact O-CB 3.42Å; E7-Q10 PolarHBondContact O-N 3Å; F8-Q10 PolarHBondContact O-N 2.88Å; F8-Q10 VanDerWaalsContact O-N 3.17Å; Q10-P13 WeakPolarHBondContact O-CD 3.41Å; Q10-P13 WeakPolarHBondContact O-CG 3.47Å; Q10-M14 WeakPolarHBondContact O-CG 3.44Å
11F95.6Very high88Confident100 Ų100117.1 Ų117.144%0.43960%0.604SS.*Hα-helixtrans-73.3-41.1178.1177.9-99.2000112.6I6 E7 F8 M14 M15I6-F11 HydrophobicContact CG2-CB 3.98Å; E7-F11 PolarHBondContact O-N 3.22Å; F8-F11 PolarHBondContact O-N 2.96Å; F11-M14 WeakPolarHBondContact O-CA 3.46Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.4Å; F11-M15 HydrophobicContact CD1-CB 4.44Å; F11-M15 HydrophobicContact CE1-CB 3.97Å; F11-M15 HydrophobicContact CE1-CG 4.35Å; F11-M15 HydrophobicContact CE1-SD 3.82Å; F11-M15 HydrophobicContact CZ-CB 4.26Å; F11-M15 HydrophobicContact CZ-SD 4.41Å; F11-M15 PolarHBondContact O-N 2.96Å
12L96Very high89.7Confident49 Ų49114.8 Ų114.826%0.25759%0.587SS.*Hα-helixtrans-51.5-49.9-177.3-176.761.8000113.8F8 M14 M15 Q16F8-L12 HydrophobicContact CE1-CD2 4.36Å; F8-L12 HydrophobicContact CZ-CD1 4.41Å; F8-L12 PolarHBondContact O-N 2.99Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; L12-M15 HydrophobicContact CD1-CE 3.87Å; L12-M15 PolarHBondContact O-N 2.86Å; L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 3.12Å
13P95.3Very high91Very high67 Ų67114 Ų11444%0.43558%0.583SS.*Hα-helixtrans-66.5-30.1177.325.3-34.7000113.1E9 Q10 Q16 A17E9-P13 WeakPolarHBondContact O-CD 3.33Å; Q10-P13 WeakPolarHBondContact O-CD 3.41Å; Q10-P13 WeakPolarHBondContact O-CG 3.47Å; P13-Q16 PolarHBondContact O-N 3.47Å; P13-A17 WeakPolarHBondContact O-CB 3.39Å; P13-A17 PolarHBondContact O-N 3.01Å
14M95.4Very high91.6Very high96 Ų96116.4 Ų116.447%0.47358%0.579SS.*Hα-helixtrans-65.4-45.6174.3-58.3177.1-173.400110.6Q10 F11 L12 A17 I18Q10-M14 WeakPolarHBondContact O-CG 3.44Å; F11-M14 WeakPolarHBondContact O-CA 3.46Å; F11-M14 WeakPolarHBondContact O-CB 3.15Å; F11-M14 PolarHBondContact O-N 3.4Å; L12-M14 VanDerWaalsContact C-N 3.3Å; L12-M14 PolarHBondContact O-N 3.39Å; M14-A17 PolarHBondContact O-N 3.08Å; M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.29Å; M14-I18 VanDerWaalsContact O-N 3.08Å
15M94.1Very high91.8Very high88 Ų88108.6 Ų108.643%0.43356%0.555SS.*Hα-helixtrans-63.2-41.7176.9-173.617968.700111.8F11 L12 A17 I18 S19F11-M15 HydrophobicContact CD1-CB 4.44Å; F11-M15 HydrophobicContact CE1-CB 3.97Å; F11-M15 HydrophobicContact CE1-CG 4.35Å; F11-M15 HydrophobicContact CE1-SD 3.82Å; F11-M15 HydrophobicContact CZ-CB 4.26Å; F11-M15 HydrophobicContact CZ-SD 4.41Å; F11-M15 PolarHBondContact O-N 2.96Å; L12-M15 HydrophobicContact CD1-CE 3.87Å; L12-M15 PolarHBondContact O-N 2.86Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.49Å; M15-I18 PolarHBondContact O-N 3.34Å; M15-S19 VanDerWaalsContact O-CB 3.29Å; M15-S19 WeakPolarHBondContact O-CB 3.31Å; M15-S19 PolarHBondContact O-N 3.36Å
16Q94.8Very high92Very high103 Ų103101.3 Ų101.348%0.48153%0.532SS..Hα-helixtrans-62.1-40.8175.7-74.1176-9.300112.1L12 P13 N20L12-Q16 WeakPolarHBondContact O-CG 3.47Å; L12-Q16 PolarHBondContact O-N 3.12Å; P13-Q16 PolarHBondContact O-N 3.47Å; Q16-N20 WeakPolarHBondContact O-CB 3.29Å; Q16-N20 VanDerWaalsContact O-CG 3.27Å; Q16-N20 PolarHBondContact O-N 3.29Å; Q16-N20 VanDerWaalsContact O-N 3.07Å; Q16-N20 PolarHBondContact O-ND2 3.15Å
17A93.5Very high92.1Very high68 Ų6899.8 Ų99.856%0.56252%0.52SS*.Hα-helixtrans-63.1-44.4176.900000111.7P13 M14 M15 N21P13-A17 WeakPolarHBondContact O-CB 3.39Å; P13-A17 PolarHBondContact O-N 3.01Å; M14-A17 PolarHBondContact O-N 3.08Å; M15-A17 VanDerWaalsContact C-N 3.34Å; M15-A17 PolarHBondContact O-N 3.49Å; A17-N21 PolarHBondContact O-N 2.93Å
18I91.6Very high92.1Very high122 Ų122100.9 Ų100.963%0.62653%0.525SS*.Hα-helixtrans-66.9-44.9178.5-64.5166.1000110.8M14 M15 N20 N21M14-I18 WeakPolarHBondContact O-CG1 3.34Å; M14-I18 PolarHBondContact O-N 3.29Å; M14-I18 VanDerWaalsContact O-N 3.08Å; M15-I18 PolarHBondContact O-N 3.34Å; I18-N20 VanDerWaalsContact C-N 3.27Å; I18-N20 PolarHBondContact O-N 3.07Å; I18-N21 VanDerWaalsContact O-CB 3.25Å; I18-N21 WeakPolarHBondContact O-CB 3.36Å; I18-N21 PolarHBondContact O-N 2.72Å; I18-N21 VanDerWaalsContact O-N 3.14Å
19S89.6Confident92.2Very high91 Ų9199.5 Ų99.564%0.63652%0.524SS*.Hα-helixtrans-66.4-27.3-178.7-176.90000113.5M15 N21M15-S19 VanDerWaalsContact O-CB 3.29Å; M15-S19 WeakPolarHBondContact O-CB 3.31Å; M15-S19 PolarHBondContact O-N 3.36Å; S19-N21 VanDerWaalsContact C-N 3.34Å
20N89.9Confident92.1Very high121 Ų12197.4 Ų97.465%0.64751%0.512SS*.THydrogen-bonded Turntrans-89.7-0.6177.9-70.6-40.2000112.9Q16 I18 K22Q16-N20 WeakPolarHBondContact O-CB 3.29Å; Q16-N20 VanDerWaalsContact O-CG 3.27Å; Q16-N20 PolarHBondContact O-N 3.29Å; Q16-N20 VanDerWaalsContact O-N 3.07Å; Q16-N20 PolarHBondContact O-ND2 3.15Å; I18-N20 VanDerWaalsContact C-N 3.27Å; I18-N20 PolarHBondContact O-N 3.07Å; N20-K22 PolarHBondContact O-N 3.15Å
21N88.9Confident92.3Very high80 Ų8092.9 Ų92.943%0.42849%0.492SS..  trans-67.4120.3175.9-170.5-4.7000109.6A17 I18 S19 D23A17-N21 PolarHBondContact O-N 2.93Å; I18-N21 VanDerWaalsContact O-CB 3.25Å; I18-N21 WeakPolarHBondContact O-CB 3.36Å; I18-N21 PolarHBondContact O-N 2.72Å; I18-N21 VanDerWaalsContact O-N 3.14Å; S19-N21 VanDerWaalsContact C-N 3.34Å; N21-D23 WeakPolarHBondContact OD1-CB 3.25Å; N21-D23 PolarHBondContact OD1-N 3.35Å
22K81.9Confident92.3Very high193 Ų19393.7 Ų93.784%0.83950%0.497SS*.  trans-91.9-8.7-179.2-61.6-173.7-179.8-178.60113N20 Q24N20-K22 PolarHBondContact O-N 3.15Å; K22-Q24 PolarHBondContact O-N 3.4Å
23D85.1Confident92.2Very high148 Ų14893.3 Ų93.379%0.79151%0.505SS*.  trans-87.251.6-178.2-57.9-31000110.5N21N21-D23 WeakPolarHBondContact OD1-CB 3.25Å; N21-D23 PolarHBondContact OD1-N 3.35Å
24Q84.3Confident92.2Very high139 Ų13991.2 Ų91.265%0.6549%0.49SS*.  trans-100.6132174-63.4-173.211.900109.3K22K22-Q24 PolarHBondContact O-N 3.4Å
25G89.5Confident92.2Very high35 Ų3592.4 Ų92.436%0.36149%0.489SS..  trans-63.5139.3172.300000111F30G25-F30 WeakPolarHBondContact O-CE2 3.4Å
26G93.4Very high92.2Very high29 Ų2993.7 Ų93.730%0.29950%0.501SS..  trans-88.4176.4171.800000112.5E28 D29 F30G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.14Å; G26-D29 PolarHBondContact N-OD2 3.07Å; G26-D29 PolarHBondContact O-N 3.41Å; G26-F30 WeakPolarHBondContact O-CD2 3.46Å; G26-F30 PolarHBondContact O-N 3.43Å
27Y95Very high92.1Very high66 Ų6691.9 Ų91.926%0.25949%0.492SS..Hα-helixtrans-52.2-45.7175.9172.5-98.6000112.6D29 F30 V31 E83 V86 K87 M90Y27-D29 PolarHBondContact O-N 3.28Å; Y27-F30 PolarHBondContact O-N 3.45Å; Y27-V31 HydrophobicContact CD1-CG2 4.3Å; Y27-V31 HydrophobicContact CD2-CG2 4.2Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 HydrophobicContact CE2-CG2 3.64Å; Y27-V31 HydrophobicContact CG-CG2 4.49Å; Y27-V31 VanDerWaalsContact CZ-CG2 3.45Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.33Å; Y27-E83 WeakPolarHBondContact OH-CB 3.44Å; Y27-V86 HydrophobicContact CD2-CB 4.31Å; Y27-V86 HydrophobicContact CD2-CG1 3.58Å; Y27-V86 HydrophobicContact CE2-CB 4.06Å; Y27-V86 HydrophobicContact CE2-CG1 3.85Å; Y27-K87 HydrophobicContact CD2-CG 4.15Å; Y27-K87 HydrophobicContact CE2-CD 4.38Å; Y27-K87 HydrophobicContact CE2-CG 3.47Å; Y27-K87 VanDerWaalsContact CE2-CG 3.47Å; Y27-K87 WeakPolarHBondContact OH-CE 3.46Å; Y27-M90 VanDerWaalsContact CA-SD 3.55Å; Y27-M90 HydrophobicContact CD2-SD 4.15Å
28E96Very high92.1Very high149 Ų14989.3 Ų89.370%0.69647%0.469SS*.Hα-helixtrans-63.6-42.1-178.4-64.6-179.1169.800111.4G26 F30 V31 E32G26-E28 VanDerWaalsContact C-N 3.27Å; G26-E28 PolarHBondContact O-N 3.14Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.13Å; E28-V31 PolarHBondContact O-N 3.23Å; E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 WeakPolarHBondContact O-CG 3.43Å; E28-E32 PolarHBondContact O-N 3.01Å
29D95.7Very high92.1Very high100 Ų10092 Ų9254%0.53548%0.476SS..Hα-helixtrans-60.1-43.5178.2-57.8-56.9000111.7G26 Y27 G33G26-D29 PolarHBondContact N-OD2 3.07Å; G26-D29 PolarHBondContact O-N 3.41Å; Y27-D29 PolarHBondContact O-N 3.28Å; D29-G33 PolarHBondContact O-N 3.35Å
30F95.8Very high92.2Very high99 Ų9995.6 Ų95.643%0.43448%0.483SS..Hα-helixtrans-70.1-40.3179.4-62.8-52.9000112.7G25 G26 Y27 E28 G33 L34 V86 M90G25-F30 WeakPolarHBondContact O-CE2 3.4Å; G26-F30 WeakPolarHBondContact O-CD2 3.46Å; G26-F30 PolarHBondContact O-N 3.43Å; Y27-F30 PolarHBondContact O-N 3.45Å; E28-F30 VanDerWaalsContact C-N 3.34Å; E28-F30 PolarHBondContact O-N 3.13Å; F30-G33 PolarHBondContact O-N 3.41Å; F30-L34 PolarHBondContact O-N 3.21Å; F30-L34 VanDerWaalsContact O-N 3.07Å; F30-V86 HydrophobicContact CB-CG1 3.81Å; F30-V86 HydrophobicContact CB-CG2 4.13Å; F30-V86 HydrophobicContact CD2-CG1 4.36Å; F30-M90 HydrophobicContact CD2-CE 4.39Å; F30-M90 HydrophobicContact CD2-SD 3.87Å; F30-M90 HydrophobicContact CE2-CE 4.23Å; F30-M90 HydrophobicContact CE2-SD 4.24Å
31V96.8Very high92.4Very high7 Ų792.9 Ų92.94%0.04248%0.484CS..Hα-helixtrans-64.7-43.6176.61690000110.9Y27 E28 G33 L34 R35 Y82 E83 V86Y27-V31 HydrophobicContact CD1-CG2 4.3Å; Y27-V31 HydrophobicContact CD2-CG2 4.2Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 HydrophobicContact CE2-CG2 3.64Å; Y27-V31 HydrophobicContact CG-CG2 4.49Å; Y27-V31 VanDerWaalsContact CZ-CG2 3.45Å; Y27-V31 WeakPolarHBondContact O-CG2 3.42Å; Y27-V31 PolarHBondContact O-N 3.33Å; E28-V31 PolarHBondContact O-N 3.23Å; V31-G33 VanDerWaalsContact C-N 3.33Å; V31-G33 PolarHBondContact O-N 2.94Å; V31-L34 PolarHBondContact O-N 2.8Å; V31-R35 WeakPolarHBondContact O-CB 3.38Å; V31-R35 PolarHBondContact O-N 3.38Å; V31-Y82 HydrophobicContact CG1-CD2 4.16Å; V31-Y82 HydrophobicContact CG1-CE2 3.92Å; V31-E83 HydrophobicContact CG1-CG 4.04Å; V31-E83 HydrophobicContact CG2-CG 4.34Å; V31-V86 HydrophobicContact CG2-CB 4.29Å; V31-V86 HydrophobicContact CG2-CG1 4.37Å; V31-V86 HydrophobicContact CG2-CG2 4.36Å
32E95.7Very high92.7Very high118 Ų11893.1 Ų93.155%0.55149%0.485SS*.Hα-helixtrans-63.3-39.6176.2-73.9-169.3167.500112.1E28 L34 R35E28-E32 WeakPolarHBondContact O-CB 3.39Å; E28-E32 WeakPolarHBondContact O-CG 3.43Å; E28-E32 PolarHBondContact O-N 3.01Å; E32-L34 PolarHBondContact O-N 3.03Å; E32-R35 PolarHBondContact O-N 3.14Å
33G94.4Very high93.3Very high41 Ų4184.5 Ų84.542%0.42345%0.451SS..Hα-helixtrans-59.6-43.1174.200000113.1D29 F30 V31D29-G33 PolarHBondContact O-N 3.35Å; F30-G33 PolarHBondContact O-N 3.41Å; V31-G33 VanDerWaalsContact C-N 3.33Å; V31-G33 PolarHBondContact O-N 2.94Å
34L95.3Very high93.9Very high23 Ų2378.9 Ų78.912%0.1242%0.422CS..Hα-helixtrans-75.2-29.3178.9-70.6174.3000113.2F30 V31 E32 V36 F37 L50 Y82 F85 V86F30-L34 PolarHBondContact O-N 3.21Å; F30-L34 VanDerWaalsContact O-N 3.07Å; V31-L34 PolarHBondContact O-N 2.8Å; E32-L34 PolarHBondContact O-N 3.03Å; L34-V36 PolarHBondContact O-N 3.04Å; L34-V36 VanDerWaalsContact O-N 3.12Å; L34-F37 PolarHBondContact O-N 3.14Å; L34-L50 HydrophobicContact CD2-CD1 3.63Å; L34-Y82 HydrophobicContact CB-CD2 4.22Å; L34-Y82 HydrophobicContact CB-CG 4.11Å; L34-F85 HydrophobicContact CD1-CD1 4.29Å; L34-V86 HydrophobicContact CD1-CG2 3.63Å
35R95.7Very high94.5Very high120 Ų12072.5 Ų72.545%0.45339%0.393SS..Hα-helixtrans-58.3-25.2176.8-175179.4-70.5151.1-0.8112.9V31 E32 F37 D38 Y82V31-R35 WeakPolarHBondContact O-CB 3.38Å; V31-R35 PolarHBondContact O-N 3.38Å; E32-R35 PolarHBondContact O-N 3.14Å; R35-F37 PolarHBondContact O-N 2.99Å; R35-D38 PolarHBondContact O-N 3.01Å; R35-Y82 HydrophobicContact CB-CE2 4.46Å
36V93.9Very high94.8Very high115 Ų11576 Ų7670%0.69740%0.401SS*.THydrogen-bonded Turntrans-60.8-24.8176.1-177.80000112.5L34L34-V36 PolarHBondContact O-N 3.04Å; L34-V36 VanDerWaalsContact O-N 3.12Å
37F91.8Very high94.9Very high66 Ų6674.6 Ų74.629%0.28939%0.386SS..THydrogen-bonded Turntrans-89.1-17177.4-58.2-79.7000113L34 R35 K39 V45 V53L34-F37 PolarHBondContact O-N 3.14Å; R35-F37 PolarHBondContact O-N 2.99Å; F37-K39 PolarHBondContact O-N 3.29Å; F37-K39 VanDerWaalsContact O-N 3.1Å; F37-V45 HydrophobicContact CB-CG1 3.86Å; F37-V53 HydrophobicContact CD1-CG2 4.33Å; F37-V53 HydrophobicContact CE1-CG2 3.56Å; F37-V53 HydrophobicContact CE2-CG2 4.47Å; F37-V53 HydrophobicContact CZ-CG1 4.18Å; F37-V53 HydrophobicContact CZ-CG2 3.64Å
38D94.6Very high95Very high14 Ų1474.4 Ų74.48%0.07540%0.399CS..  trans-83.681.6178.11807.9000110.9R35 E40 G41 N42 G43 T44 Y82R35-D38 PolarHBondContact O-N 3.01Å; D38-E40 PolarHBondContact O-N 3.4Å; D38-E40 PolarHBondContact OD1-N 3.39Å; D38-G41 PolarHBondContact O-N 3.37Å; D38-G41 WeakPolarHBondContact OD1-CA 3.48Å; D38-G41 PolarHBondContact OD1-N 3.12Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å; D38-N42 PolarHBondContact OD1-N 3.04Å; D38-N42 PolarHBondContact OD1-OD1 3.39Å; D38-N42 PolarHBondContact OD2-N 2.95Å; D38-N42 VanDerWaalsContact OD2-N 3.13Å; D38-G43 WeakPolarHBondContact OD2-CA 3.49Å; D38-G43 PolarHBondContact OD2-N 3.49Å; D38-T44 WeakPolarHBondContact CB-O 3.25Å; D38-Y82 HydrophobicContact CB-CE1 3.71Å; D38-Y82 WeakPolarHBondContact OD2-CE1 3.34Å; D38-Y82 PolarHBondContact OD2-OH 2.91Å
39K89.8Confident94.9Very high178 Ų17870.4 Ų70.477%0.77438%0.38SS*.THydrogen-bonded Turntrans-64.2-25.9-178.9-65.7172.9-172.9150.20113.3F37 E49F37-K39 PolarHBondContact O-N 3.29Å; F37-K39 VanDerWaalsContact O-N 3.1Å; K39-E49 IonicContact NZ-OE1 3.8Å
40E92.1Very high94.8Very high166 Ų16665.9 Ų65.978%0.77636%0.356SS*.THydrogen-bonded Turntrans-92.9-13.8-176-61.5-171.1166.100112.6D38 N42D38-E40 PolarHBondContact O-N 3.4Å; D38-E40 PolarHBondContact OD1-N 3.39Å; E40-N42 VanDerWaalsContact C-N 3.27Å; E40-N42 HydrophobicContact CB-CB 4.4Å; E40-N42 PolarHBondContact O-N 3.05Å; E40-N42 PolarHBondContact OE2-ND2 2.95Å; E40-N42 VanDerWaalsContact OE2-ND2 3.12Å
41G94.1Very high94.8Very high65 Ų6563.9 Ų63.967%0.6735%0.346SS*.  trans67.128.1-176.800000112.8D38D38-G41 PolarHBondContact O-N 3.37Å; D38-G41 WeakPolarHBondContact OD1-CA 3.48Å; D38-G41 PolarHBondContact OD1-N 3.12Å; D38-G41 WeakPolarHBondContact OD2-CA 3.43Å
42N94.9Very high94.7Very high84 Ų8469.6 Ų69.645%0.44937%0.372SS..SBendtrans-95.30.5-173.570.213.7000113.3D38 E40 T44D38-N42 PolarHBondContact OD1-N 3.04Å; D38-N42 PolarHBondContact OD1-OD1 3.39Å; D38-N42 PolarHBondContact OD2-N 2.95Å; D38-N42 VanDerWaalsContact OD2-N 3.13Å; E40-N42 VanDerWaalsContact C-N 3.27Å; E40-N42 HydrophobicContact CB-CB 4.4Å; E40-N42 PolarHBondContact O-N 3.05Å; E40-N42 PolarHBondContact OE2-ND2 2.95Å; E40-N42 VanDerWaalsContact OE2-ND2 3.12Å; N42-T44 PolarHBondContact ND2-OG1 2.9Å; N42-T44 WeakPolarHBondContact OD1-CB 3.45Å; N42-T44 PolarHBondContact OD1-N 2.77Å; N42-T44 PolarHBondContact OD1-OG1 2.88Å
43G96.3Very high94.6Very high12 Ų1265.2 Ų65.212%0.12435%0.353CS..SBendtrans84.413.8-179.100000113.8D38 N81 Y82D38-G43 WeakPolarHBondContact OD2-CA 3.49Å; D38-G43 PolarHBondContact OD2-N 3.49Å; G43-N81 WeakPolarHBondContact O-CA 3.38Å; G43-N81 PolarHBondContact O-ND2 3.12Å; G43-Y82 VanDerWaalsContact C-CD1 3.49Å; G43-Y82 VanDerWaalsContact CA-CE1 3.46Å; G43-Y82 WeakPolarHBondContact O-CD1 3.35Å; G43-Y82 WeakPolarHBondContact O-CE1 3.21Å; G43-Y82 PolarHBondContact O-N 2.81Å
44T97.1Very high94.7Very high31 Ų3165.2 Ų65.219%0.1934%0.343CS..EExtended strand (participates in β ladder)trans-131154.6-179.671.10000113.5D38 N42 I80D38-T44 WeakPolarHBondContact CB-O 3.25Å; N42-T44 PolarHBondContact ND2-OG1 2.9Å; N42-T44 WeakPolarHBondContact OD1-CB 3.45Å; N42-T44 PolarHBondContact OD1-N 2.77Å; N42-T44 PolarHBondContact OD1-OG1 2.88Å; T44-I80 CarbonylContact C-O 3.55Å; T44-I80 WeakPolarHBondContact CA-O 3.5Å; T44-I80 WeakPolarHBondContact CB-O 3.19Å
45V96.7Very high94.7Very high5 Ų566 Ų663%0.0335%0.353CS..EExtended strand (participates in β ladder)trans-124.2152.5169.3-57.30000109.5F37 G47 L50 C79 I80 Y82F37-V45 HydrophobicContact CB-CG1 3.86Å; V45-G47 PolarHBondContact O-N 3.34Å; V45-L50 HydrophobicContact CG2-CB 4.11Å; V45-L50 HydrophobicContact CG2-CD2 4.12Å; V45-C79 WeakPolarHBondContact O-CA 3.45Å; V45-I80 HydrophobicContact CG2-CB 4.2Å; V45-I80 PolarHBondContact N-O 3.32Å; V45-I80 PolarHBondContact O-N 2.89Å; V45-Y82 HydrophobicContact CG1-CD1 3.82Å; V45-Y82 HydrophobicContact CG1-CE1 4.4Å
46M96.3Very high94.6Very high107 Ų10763 Ų6353%0.52735%0.347SS..EExtended strand (participates in β ladder)trans-67.4130.1172.2-64.6-173.668.100109.6A48 E49 L50M46-A48 PolarHBondContact O-N 2.96Å; M46-E49 HydrophobicContact CB-CB 4.24Å; M46-E49 HydrophobicContact CB-CG 4.01Å; M46-E49 PolarHBondContact O-N 3.03Å; M46-L50 PolarHBondContact O-N 2.87Å; M46-L50 VanDerWaalsContact O-N 3.07Å
47G95.8Very high94.5Very high0 Ų062.6 Ų62.60%034%0.341CS..Hα-helixtrans-57.4-35.3178.700000112.2V45 L50 R51 G78V45-G47 PolarHBondContact O-N 3.34Å; G47-L50 PolarHBondContact O-N 3.17Å; G47-R51 VanDerWaalsContact C-NH1 3.35Å; G47-R51 WeakPolarHBondContact O-CB 3.49Å; G47-R51 VanDerWaalsContact O-CG 3.27Å; G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.38Å; G47-R51 PolarHBondContact O-NH1 3.22Å; G47-G78 PolarHBondContact N-O 3.03Å
48A95.4Very high94.6Very high63 Ų6363 Ų6352%0.52136%0.364SS..Hα-helixtrans-63.3-39.1174.300000113.5M46 H52M46-A48 PolarHBondContact O-N 2.96Å; A48-H52 PolarHBondContact O-N 3.38Å; A48-H52 VanDerWaalsContact O-N 3.13Å
49E94.1Very high94.5Very high64 Ų6471.5 Ų71.530%0.29940%0.403SS..Hα-helixtrans-68-43.3176.7-70.6179135.900110.4K39 M46 R51 H52 V53K39-E49 IonicContact NZ-OE1 3.8Å; M46-E49 HydrophobicContact CB-CB 4.24Å; M46-E49 HydrophobicContact CB-CG 4.01Å; M46-E49 PolarHBondContact O-N 3.03Å; E49-R51 PolarHBondContact O-N 3.36Å; E49-H52 PolarHBondContact O-N 3.49Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 2.76Å
50L94.8Very high94.8Very high5 Ų570.1 Ų70.13%0.02640%0.397CS..Hα-helixtrans-63.8-42.7178.7-170.257000112L34 V45 M46 G47 H52 V53 L54 L70 I80 F85L34-L50 HydrophobicContact CD2-CD1 3.63Å; V45-L50 HydrophobicContact CG2-CB 4.11Å; V45-L50 HydrophobicContact CG2-CD2 4.12Å; M46-L50 PolarHBondContact O-N 2.87Å; M46-L50 VanDerWaalsContact O-N 3.07Å; G47-L50 PolarHBondContact O-N 3.17Å; L50-H52 VanDerWaalsContact C-N 3.34Å; L50-H52 PolarHBondContact O-N 3.2Å; L50-V53 PolarHBondContact O-N 3.44Å; L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.91Å; L50-L70 HydrophobicContact CD2-CD2 3.78Å; L50-L70 HydrophobicContact CG-CD2 4.36Å; L50-I80 HydrophobicContact CD2-CD1 3.91Å; L50-I80 HydrophobicContact CD2-CG2 4.44Å; L50-F85 HydrophobicContact CD2-CD1 4.32Å; L50-F85 HydrophobicContact CD2-CE1 4.04Å; L50-F85 HydrophobicContact CD2-CZ 4.46Å
51R95.9Very high95Very high58 Ų5864.9 Ų64.922%0.21937%0.373CS..Hα-helixtrans-55.9-48.6172.9-75.6176.2179.292.8-2.8111.9G47 E49 V53 L54 A55 V66 E67 L70 E74G47-R51 VanDerWaalsContact C-NH1 3.35Å; G47-R51 WeakPolarHBondContact O-CB 3.49Å; G47-R51 VanDerWaalsContact O-CG 3.27Å; G47-R51 WeakPolarHBondContact O-CG 3.45Å; G47-R51 PolarHBondContact O-N 3.38Å; G47-R51 PolarHBondContact O-NH1 3.22Å; E49-R51 PolarHBondContact O-N 3.36Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.1Å; R51-L54 PolarHBondContact O-N 3.14Å; R51-A55 WeakPolarHBondContact O-CB 3.33Å; R51-A55 PolarHBondContact O-N 2.85Å; R51-A55 VanDerWaalsContact O-N 3.1Å; R51-V66 HydrophobicContact CB-CG1 4.11Å; R51-V66 HydrophobicContact CG-CG1 3.76Å; R51-E67 VanDerWaalsContact CD-OE1 3.25Å; R51-E67 WeakPolarHBondContact CD-OE1 3.36Å; R51-E67 IonicContact CZ-OE1 3.83Å; R51-E67 IonicContact CZ-OE2 3.49Å; R51-E67 IonicContact NE-OE1 2.77Å; R51-E67 PolarHBondContact NE-OE1 3.4Å; R51-E67 IonicContact NE-OE2 2.81Å; R51-E67 PolarHBondContact NE-OE2 3.1Å; R51-E67 IonicContact NH2-OE2 3.89Å; R51-E67 PolarHBondContact NH2-OE2 3.44Å; R51-L70 HydrophobicContact CB-CD1 4.49Å; R51-L70 HydrophobicContact CG-CD1 3.37Å; R51-E74 IonicContact CZ-OE2 3.29Å; R51-E74 VanDerWaalsContact CZ-OE2 3.29Å; R51-E74 IonicContact NH1-OE1 3.32Å; R51-E74 PolarHBondContact NH1-OE1 2.84Å; R51-E74 IonicContact NH1-OE2 2.85Å; R51-E74 PolarHBondContact NH1-OE2 3.36Å; R51-E74 IonicContact NH2-OE2 3.39Å; R51-E74 PolarHBondContact NH2-OE2 3.4Å
52H94.9Very high95.2Very high127 Ų12768.5 Ų68.559%0.58837%0.371SS*.Hα-helixtrans-61.4-44.7-179.7-174.871000111.5A48 E49 L50 A55 T56A48-H52 PolarHBondContact O-N 3.38Å; A48-H52 VanDerWaalsContact O-N 3.13Å; E49-H52 PolarHBondContact O-N 3.49Å; L50-H52 VanDerWaalsContact C-N 3.34Å; L50-H52 PolarHBondContact O-N 3.2Å; H52-A55 PolarHBondContact O-N 3.41Å; H52-T56 VanDerWaalsContact O-CB 3.32Å; H52-T56 WeakPolarHBondContact O-CB 3.37Å; H52-T56 VanDerWaalsContact O-CG2 3.26Å; H52-T56 WeakPolarHBondContact O-CG2 3.38Å; H52-T56 PolarHBondContact O-N 3.02Å; H52-T56 VanDerWaalsContact O-N 3.1Å; H52-T56 PolarHBondContact O-OG1 3.3Å
53V93.8Very high95.1Very high26 Ų2671.9 Ų71.916%0.15838%0.384CS..Hα-helixtrans-60-50.8178.7165.40000111.2F37 E49 L50 R51 A55 T56 L57F37-V53 HydrophobicContact CD1-CG2 4.33Å; F37-V53 HydrophobicContact CE1-CG2 3.56Å; F37-V53 HydrophobicContact CE2-CG2 4.47Å; F37-V53 HydrophobicContact CZ-CG1 4.18Å; F37-V53 HydrophobicContact CZ-CG2 3.64Å; E49-V53 WeakPolarHBondContact O-CG2 3.46Å; E49-V53 PolarHBondContact O-N 2.76Å; L50-V53 PolarHBondContact O-N 3.44Å; R51-V53 VanDerWaalsContact C-N 3.34Å; R51-V53 PolarHBondContact O-N 3.1Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 3.19Å; V53-T56 PolarHBondContact O-N 2.8Å; V53-T56 VanDerWaalsContact O-N 3.17Å; V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG2-CD1 4.4Å; V53-L57 PolarHBondContact O-N 3.13Å
54L95.3Very high95.1Very high41 Ų4179.2 Ų79.222%0.21542%0.415CS..Hα-helixtrans-64.5-29.8-178-67.2171.3000113.3L50 R51 M61 V66 L69L50-L54 HydrophobicContact CD1-CD1 4.35Å; L50-L54 HydrophobicContact CD1-CG 4.38Å; L50-L54 HydrophobicContact CG-CD1 4.08Å; L50-L54 WeakPolarHBondContact O-CG 3.33Å; L50-L54 PolarHBondContact O-N 2.91Å; R51-L54 PolarHBondContact O-N 3.14Å; L54-M61 HydrophobicContact CB-SD 4.32Å; L54-M61 HydrophobicContact CD2-SD 4.24Å; L54-M61 PolarHBondContact O-N 3.32Å; L54-V66 HydrophobicContact CB-CG1 4.45Å; L54-V66 HydrophobicContact CB-CG2 3.84Å; L54-V66 HydrophobicContact CD1-CG1 4.23Å; L54-L69 HydrophobicContact CD1-CD2 3.92Å
55A95.9Very high95.1Very high40 Ų4082.1 Ų82.133%0.33143%0.426SS..Hα-helixtrans-83.6-19.2177.500000113.8R51 H52 V53R51-A55 WeakPolarHBondContact O-CB 3.33Å; R51-A55 PolarHBondContact O-N 2.85Å; R51-A55 VanDerWaalsContact O-N 3.1Å; H52-A55 PolarHBondContact O-N 3.41Å; V53-A55 VanDerWaalsContact C-N 3.27Å; V53-A55 PolarHBondContact O-N 3.19Å
56T93.1Very high95Very high55 Ų5582 Ų8234%0.33743%0.426SS..Hα-helixtrans-119.5-28.5-167.863.60000115.3H52 V53 K60H52-T56 VanDerWaalsContact O-CB 3.32Å; H52-T56 WeakPolarHBondContact O-CB 3.37Å; H52-T56 VanDerWaalsContact O-CG2 3.26Å; H52-T56 WeakPolarHBondContact O-CG2 3.38Å; H52-T56 PolarHBondContact O-N 3.02Å; H52-T56 VanDerWaalsContact O-N 3.1Å; H52-T56 PolarHBondContact O-OG1 3.3Å; V53-T56 PolarHBondContact O-N 2.8Å; V53-T56 VanDerWaalsContact O-N 3.17Å; T56-K60 VanDerWaalsContact O-CE 3.27Å; T56-K60 WeakPolarHBondContact O-CE 3.28Å
57L92.8Very high95Very high107 Ų10780.8 Ų80.856%0.5642%0.419SS*.SBendtrans-106.4140.1-174.3-61.9-176.2000111.9V53V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG2-CD1 4.4Å; V53-L57 PolarHBondContact O-N 3.13Å
58G93.1Very high94.9Very high75 Ų7584.4 Ų84.477%0.77345%0.448SS*.SBendtrans65.6-133.1176.300000113.7K60G58-K60 PolarHBondContact O-N 2.9Å; G58-K60 VanDerWaalsContact O-N 3.17Å
59E93.3Very high94.9Very high193 Ų19383.7 Ų83.790%0.90244%0.435SS*.SBendtrans-76.196.2172.3-66.6-168.5173.900109.6M61E59-M61 PolarHBondContact O-N 2.82Å
60K95.9Very high94.9Very high148 Ų14880.7 Ų80.764%0.64342%0.422SS*.PPolyproline II helixtrans-65.9124.1-173-60178.5-176.5-1770111.5T56 G58T56-K60 VanDerWaalsContact O-CE 3.27Å; T56-K60 WeakPolarHBondContact O-CE 3.28Å; G58-K60 PolarHBondContact O-N 2.9Å; G58-K60 VanDerWaalsContact O-N 3.17Å
61M96.8Very high94.8Very high57 Ų5783.7 Ų83.728%0.28145%0.447SS..PPolyproline II helixtrans-82.8150.8170.3-62-17969.600110.5L54 E59 E65 V66 L69L54-M61 HydrophobicContact CB-SD 4.32Å; L54-M61 HydrophobicContact CD2-SD 4.24Å; L54-M61 PolarHBondContact O-N 3.32Å; E59-M61 PolarHBondContact O-N 2.82Å; M61-E65 HydrophobicContact CB-CB 4.4Å; M61-E65 HydrophobicContact CE-CB 3.74Å; M61-V66 HydrophobicContact CB-CG2 3.59Å; M61-V66 HydrophobicContact SD-CG2 4.41Å; M61-L69 HydrophobicContact CE-CD2 4.17Å; M61-L69 HydrophobicContact SD-CD2 4.31Å
62K97Very high94.7Very high141 Ų14184.7 Ų84.761%0.61348%0.476SS*.PPolyproline II helixtrans-73.9152.9168.4-62.1173.8-172.8165.40109.6E64 E65 V66K62-E64 PolarHBondContact O-N 2.96Å; K62-E65 HydrophobicContact CB-CG 4.21Å; K62-E65 WeakPolarHBondContact CB-OE2 3.38Å; K62-E65 PolarHBondContact N-OE2 3.45Å; K62-E65 WeakPolarHBondContact O-CB 3.46Å; K62-E65 PolarHBondContact O-N 3.41Å; K62-V66 PolarHBondContact O-N 3.25Å
63E93.9Very high94.8Very high154 Ų15481 Ų8172%0.7246%0.458SS*.Hα-helixtrans-52.5-43178.3-169.6170.1-175.800112.4E65 V66 E67E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.39Å; E63-V66 PolarHBondContact O-N 3.49Å; E63-E67 WeakPolarHBondContact O-CG 3.22Å; E63-E67 PolarHBondContact O-N 3.01Å
64E96.4Very high94.9Very high166 Ų16683 Ų8378%0.77647%0.466SS*.Hα-helixtrans-60.9-36.9176.5-62.2171.1-161.400113.2K62 A68K62-E64 PolarHBondContact O-N 2.96Å; E64-A68 WeakPolarHBondContact O-CB 3.06Å; E64-A68 PolarHBondContact O-N 2.93Å; E64-A68 VanDerWaalsContact O-N 3.13Å
65E96.1Very high94.9Very high92 Ų9284.4 Ų84.443%0.4347%0.474SS..Hα-helixtrans-73.3-38.1178.7-63166.3154.400110.6M61 K62 E63 L69M61-E65 HydrophobicContact CB-CB 4.4Å; M61-E65 HydrophobicContact CE-CB 3.74Å; K62-E65 HydrophobicContact CB-CG 4.21Å; K62-E65 WeakPolarHBondContact CB-OE2 3.38Å; K62-E65 PolarHBondContact N-OE2 3.45Å; K62-E65 WeakPolarHBondContact O-CB 3.46Å; K62-E65 PolarHBondContact O-N 3.41Å; E63-E65 VanDerWaalsContact C-N 3.31Å; E63-E65 PolarHBondContact O-N 3.39Å; E65-L69 WeakPolarHBondContact O-CB 3.17Å; E65-L69 PolarHBondContact O-N 3.46Å
66V95.6Very high94.9Very high3 Ų388.2 Ų88.22%0.01850%0.498CS..Hα-helixtrans-65.6-47.1175.4176.70000110.8R51 L54 M61 K62 E63 A68 L69 L70R51-V66 HydrophobicContact CB-CG1 4.11Å; R51-V66 HydrophobicContact CG-CG1 3.76Å; L54-V66 HydrophobicContact CB-CG1 4.45Å; L54-V66 HydrophobicContact CB-CG2 3.84Å; L54-V66 HydrophobicContact CD1-CG1 4.23Å; M61-V66 HydrophobicContact CB-CG2 3.59Å; M61-V66 HydrophobicContact SD-CG2 4.41Å; K62-V66 PolarHBondContact O-N 3.25Å; E63-V66 PolarHBondContact O-N 3.49Å; V66-A68 VanDerWaalsContact C-N 3.31Å; V66-A68 PolarHBondContact O-N 3.17Å; V66-L69 WeakPolarHBondContact O-CB 3.27Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-L69 VanDerWaalsContact O-N 3.14Å; V66-L70 HydrophobicContact CG1-CD1 3.85Å; V66-L70 HydrophobicContact CG1-CG 4.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.66Å
67E94.6Very high94.9Very high82 Ų8291.7 Ų91.738%0.38352%0.515SS..Hα-helixtrans-63.2-38.9178.8-69.4-52.4135.900111.9R51 E63 L69 L70 A71R51-E67 VanDerWaalsContact CD-OE1 3.25Å; R51-E67 WeakPolarHBondContact CD-OE1 3.36Å; R51-E67 IonicContact CZ-OE1 3.83Å; R51-E67 IonicContact CZ-OE2 3.49Å; R51-E67 IonicContact NE-OE1 2.77Å; R51-E67 PolarHBondContact NE-OE1 3.4Å; R51-E67 IonicContact NE-OE2 2.81Å; R51-E67 PolarHBondContact NE-OE2 3.1Å; R51-E67 IonicContact NH2-OE2 3.89Å; R51-E67 PolarHBondContact NH2-OE2 3.44Å; E63-E67 WeakPolarHBondContact O-CG 3.22Å; E63-E67 PolarHBondContact O-N 3.01Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; E67-L70 PolarHBondContact O-N 3.07Å; E67-A71 PolarHBondContact O-N 3.31Å; E67-A71 VanDerWaalsContact O-N 3.07Å
68A94.7Very high95.1Very high75 Ų7587.6 Ų87.662%0.6250%0.499SS*.Hα-helixtrans-62.6-39174.300000112.1E64 V66E64-A68 WeakPolarHBondContact O-CB 3.06Å; E64-A68 PolarHBondContact O-N 2.93Å; E64-A68 VanDerWaalsContact O-N 3.13Å; V66-A68 VanDerWaalsContact C-N 3.31Å; V66-A68 PolarHBondContact O-N 3.17Å
69L94.3Very high95.3Very high48 Ų4885.5 Ų85.525%0.25147%0.471SS..Hα-helixtrans-67.9-39.1179.1-169.672.4000112.6L54 M61 E65 V66 E67 F85 I89L54-L69 HydrophobicContact CD1-CD2 3.92Å; M61-L69 HydrophobicContact CE-CD2 4.17Å; M61-L69 HydrophobicContact SD-CD2 4.31Å; E65-L69 WeakPolarHBondContact O-CB 3.17Å; E65-L69 PolarHBondContact O-N 3.46Å; V66-L69 WeakPolarHBondContact O-CB 3.27Å; V66-L69 PolarHBondContact O-N 2.96Å; V66-L69 VanDerWaalsContact O-N 3.14Å; E67-L69 VanDerWaalsContact C-N 3.31Å; E67-L69 PolarHBondContact O-N 3.3Å; L69-F85 HydrophobicContact CD2-CE2 4.46Å; L69-F85 HydrophobicContact CD2-CZ 3.79Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CZ 3.88Å; L69-I89 HydrophobicContact CD1-CD1 3.31Å; L69-I89 HydrophobicContact CD1-CG1 4.19Å; L69-I89 HydrophobicContact CG-CD1 4.13Å
70L94.1Very high95.5Very high2 Ų276.3 Ų76.31%0.0143%0.429CS..Hα-helixtrans-90.9-5.9-174.7-58.5-176.8000113.5L50 R51 V66 E67 G72 Q73 I80 F85L50-L70 HydrophobicContact CD2-CD2 3.78Å; L50-L70 HydrophobicContact CG-CD2 4.36Å; R51-L70 HydrophobicContact CB-CD1 4.49Å; R51-L70 HydrophobicContact CG-CD1 3.37Å; V66-L70 HydrophobicContact CG1-CD1 3.85Å; V66-L70 HydrophobicContact CG1-CG 4.31Å; V66-L70 WeakPolarHBondContact O-CG 3.5Å; V66-L70 PolarHBondContact O-N 2.66Å; E67-L70 PolarHBondContact O-N 3.07Å; L70-G72 PolarHBondContact O-N 3.1Å; L70-G72 VanDerWaalsContact O-N 3.14Å; L70-Q73 WeakPolarHBondContact O-CB 3.42Å; L70-Q73 PolarHBondContact O-N 2.95Å; L70-I80 HydrophobicContact CD1-CD1 4.26Å; L70-I80 HydrophobicContact CD2-CD1 3.9Å; L70-I80 HydrophobicContact CG-CD1 4.46Å; L70-F85 HydrophobicContact CD2-CE2 3.74Å; L70-F85 HydrophobicContact CD2-CZ 3.76Å
71A93.6Very high95.6Very high67 Ų6772.7 Ų72.755%0.55442%0.416SS*.THydrogen-bonded Turntrans-54.6119.4-179.700000111.8E67 Q73E67-A71 PolarHBondContact O-N 3.31Å; E67-A71 VanDerWaalsContact O-N 3.07Å; A71-Q73 VanDerWaalsContact C-N 3.27Å; A71-Q73 PolarHBondContact O-N 3.2Å
72G94.1Very high95.6Very high80 Ų8070.2 Ų70.283%0.82540%0.404SS*.THydrogen-bonded Turntrans76.35.2178.600000115.7L70L70-G72 PolarHBondContact O-N 3.1Å; L70-G72 VanDerWaalsContact O-N 3.14Å
73Q96Very high95.6Very high49 Ų4967 Ų6723%0.22939%0.391CS..THydrogen-bonded Turntrans-93.5-20.8177.5-55.1-59.3-47.400112.8L70 A71 I80 F85L70-Q73 WeakPolarHBondContact O-CB 3.42Å; L70-Q73 PolarHBondContact O-N 2.95Å; A71-Q73 VanDerWaalsContact C-N 3.27Å; A71-Q73 PolarHBondContact O-N 3.2Å; Q73-I80 HydrophobicContact CB-CG2 4.32Å; Q73-F85 HydrophobicContact CB-CD2 4.27Å; Q73-F85 HydrophobicContact CG-CD2 3.86Å; Q73-F85 HydrophobicContact CG-CE2 4.32Å
74E96.4Very high95.7Very high67 Ų6761.9 Ų61.931%0.31338%0.375SS..BIsolated β-bridgetrans-87.9131.2-177.8-168.6165.6-156.600111R51 G78 C79 I80R51-E74 IonicContact CZ-OE2 3.29Å; R51-E74 VanDerWaalsContact CZ-OE2 3.29Å; R51-E74 IonicContact NH1-OE1 3.32Å; R51-E74 PolarHBondContact NH1-OE1 2.84Å; R51-E74 IonicContact NH1-OE2 2.85Å; R51-E74 PolarHBondContact NH1-OE2 3.36Å; R51-E74 IonicContact NH2-OE2 3.39Å; R51-E74 PolarHBondContact NH2-OE2 3.4Å; E74-G78 VanDerWaalsContact CG-CA 3.5Å; E74-G78 WeakPolarHBondContact OE1-CA 3.27Å; E74-C79 WeakPolarHBondContact CA-O 3.34Å; E74-I80 HydrophobicContact CB-CG1 4.11Å; E74-I80 HydrophobicContact CG-CG1 4.36Å
75D95.6Very high95.7Very high72 Ų7254.6 Ų54.639%0.38534%0.341SS..  trans-80.7-178.3177.676.37.6000112.5N77 G78 C79D75-N77 PolarHBondContact O-N 3.3Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 VanDerWaalsContact OD1-CA 3.31Å; D75-N77 WeakPolarHBondContact OD1-CA 3.32Å; D75-N77 WeakPolarHBondContact OD1-CB 3.44Å; D75-N77 PolarHBondContact OD1-N 3.37Å; D75-G78 PolarHBondContact O-N 3.07Å; D75-G78 VanDerWaalsContact O-N 3.13Å; D75-G78 PolarHBondContact OD1-N 3.48Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å; D75-C79 PolarHBondContact N-O 3.47Å; D75-C79 PolarHBondContact OD1-N 3.47Å
76S95.5Very high95.7Very high120 Ų12050.6 Ų50.684%0.83932%0.323SS*.THydrogen-bonded Turntrans-63.7-15.2179.558.20000114.5
77N94.2Very high95.7Very high127 Ų12756.2 Ų56.268%0.67935%0.347SS*.THydrogen-bonded Turntrans-98.6-0.4-179.4-55.6-39000112.2D75D75-N77 PolarHBondContact O-N 3.3Å; D75-N77 VanDerWaalsContact O-N 3.1Å; D75-N77 VanDerWaalsContact OD1-CA 3.31Å; D75-N77 WeakPolarHBondContact OD1-CA 3.32Å; D75-N77 WeakPolarHBondContact OD1-CB 3.44Å; D75-N77 PolarHBondContact OD1-N 3.37Å
78G95.7Very high95.7Very high22 Ų2256.5 Ų56.523%0.22735%0.348CS..SBendtrans79.121.5-174.600000113.1G47 E74 D75G47-G78 PolarHBondContact N-O 3.03Å; E74-G78 VanDerWaalsContact CG-CA 3.5Å; E74-G78 WeakPolarHBondContact OE1-CA 3.27Å; D75-G78 PolarHBondContact O-N 3.07Å; D75-G78 VanDerWaalsContact O-N 3.13Å; D75-G78 PolarHBondContact OD1-N 3.48Å; D75-G78 VanDerWaalsContact OD1-N 3.14Å
79C97Very high95.7Very high30 Ų3056 Ų5620%0.20334%0.335CS..EExtended strand (participates in β ladder)trans-107.1146.8-179-68.50000111.1V45 E74 D75V45-C79 WeakPolarHBondContact O-CA 3.45Å; E74-C79 WeakPolarHBondContact CA-O 3.34Å; D75-C79 PolarHBondContact N-O 3.47Å; D75-C79 PolarHBondContact OD1-N 3.47Å
80I97.6Very high95.6Very high0 Ų058 Ų580%034%0.344CS..EExtended strand (participates in β ladder)trans-118.9125.4179.1-61.3180000108.5T44 V45 L50 L70 Q73 E74 Y82 F85T44-I80 CarbonylContact C-O 3.55Å; T44-I80 WeakPolarHBondContact CA-O 3.5Å; T44-I80 WeakPolarHBondContact CB-O 3.19Å; V45-I80 HydrophobicContact CG2-CB 4.2Å; V45-I80 PolarHBondContact N-O 3.32Å; V45-I80 PolarHBondContact O-N 2.89Å; L50-I80 HydrophobicContact CD2-CD1 3.91Å; L50-I80 HydrophobicContact CD2-CG2 4.44Å; L70-I80 HydrophobicContact CD1-CD1 4.26Å; L70-I80 HydrophobicContact CD2-CD1 3.9Å; L70-I80 HydrophobicContact CG-CD1 4.46Å; Q73-I80 HydrophobicContact CB-CG2 4.32Å; E74-I80 HydrophobicContact CB-CG1 4.11Å; E74-I80 HydrophobicContact CG-CG1 4.36Å; I80-Y82 PolarHBondContact O-N 3.13Å; I80-F85 HydrophobicContact CG2-CB 3.93Å; I80-F85 HydrophobicContact CG2-CG 4.21Å
81N97.9Very high95.4Very high72 Ų7262.2 Ų62.239%0.38537%0.373SS..EExtended strand (participates in β ladder)trans-73.8105.4168.7-177-79.6000109.3G43 E83 A84 F85G43-N81 WeakPolarHBondContact O-CA 3.38Å; G43-N81 PolarHBondContact O-ND2 3.12Å; N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 2.98Å; N81-E83 PolarHBondContact OD1-N 2.92Å; N81-A84 HydrophobicContact CB-CB 4.22Å; N81-A84 PolarHBondContact O-N 3.44Å; N81-A84 VanDerWaalsContact OD1-CB 3.28Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 2.81Å; N81-F85 WeakPolarHBondContact O-CB 3.32Å; N81-F85 PolarHBondContact O-N 2.66Å
82Y96.8Very high94.5Very high6 Ų667 Ų672%0.02440%0.395CS..Hα-helixtrans-70.1-27.8-170.753.3-96.8000113.3V31 L34 R35 D38 G43 V45 I80 V86V31-Y82 HydrophobicContact CG1-CD2 4.16Å; V31-Y82 HydrophobicContact CG1-CE2 3.92Å; L34-Y82 HydrophobicContact CB-CD2 4.22Å; L34-Y82 HydrophobicContact CB-CG 4.11Å; R35-Y82 HydrophobicContact CB-CE2 4.46Å; D38-Y82 HydrophobicContact CB-CE1 3.71Å; D38-Y82 WeakPolarHBondContact OD2-CE1 3.34Å; D38-Y82 PolarHBondContact OD2-OH 2.91Å; G43-Y82 VanDerWaalsContact C-CD1 3.49Å; G43-Y82 VanDerWaalsContact CA-CE1 3.46Å; G43-Y82 WeakPolarHBondContact O-CD1 3.35Å; G43-Y82 WeakPolarHBondContact O-CE1 3.21Å; G43-Y82 PolarHBondContact O-N 2.81Å; V45-Y82 HydrophobicContact CG1-CD1 3.82Å; V45-Y82 HydrophobicContact CG1-CE1 4.4Å; I80-Y82 PolarHBondContact O-N 3.13Å; Y82-V86 WeakPolarHBondContact O-CB 3.26Å; Y82-V86 VanDerWaalsContact O-CG2 3.22Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.36Å
83E97.3Very high94.5Very high72 Ų7266.3 Ų66.334%0.33637%0.374SS..Hα-helixtrans-66.7-47.6174.9-70.3-171-168.100111.9Y27 V31 N81 F85 K87Y27-E83 WeakPolarHBondContact OH-CB 3.44Å; V31-E83 HydrophobicContact CG1-CG 4.04Å; V31-E83 HydrophobicContact CG2-CG 4.34Å; N81-E83 VanDerWaalsContact C-N 3.32Å; N81-E83 PolarHBondContact O-N 2.98Å; N81-E83 PolarHBondContact OD1-N 2.92Å; E83-F85 VanDerWaalsContact C-N 3.33Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.06Å
84A96.5Very high94.4Very high48 Ų4867.2 Ų67.240%0.39738%0.381SS..Hα-helixtrans-64.3-41.3175.700000111.2N81 K87 H88N81-A84 HydrophobicContact CB-CB 4.22Å; N81-A84 PolarHBondContact O-N 3.44Å; N81-A84 VanDerWaalsContact OD1-CB 3.28Å; N81-A84 WeakPolarHBondContact OD1-CB 3.31Å; N81-A84 PolarHBondContact OD1-N 2.81Å; A84-K87 PolarHBondContact O-N 3.48Å; A84-H88 WeakPolarHBondContact O-CB 3.44Å; A84-H88 PolarHBondContact O-N 2.8Å
85F96.4Very high94.3Very high13 Ų1367.2 Ų67.26%0.05739%0.385CS..Hα-helixtrans-58.8-52.1175.9174.6-114.2000112L34 L50 L69 L70 Q73 I80 N81 E83 K87 H88 I89L34-F85 HydrophobicContact CD1-CD1 4.29Å; L50-F85 HydrophobicContact CD2-CD1 4.32Å; L50-F85 HydrophobicContact CD2-CE1 4.04Å; L50-F85 HydrophobicContact CD2-CZ 4.46Å; L69-F85 HydrophobicContact CD2-CE2 4.46Å; L69-F85 HydrophobicContact CD2-CZ 3.79Å; L69-F85 HydrophobicContact CG-CE2 4.05Å; L69-F85 HydrophobicContact CG-CZ 3.88Å; L70-F85 HydrophobicContact CD2-CE2 3.74Å; L70-F85 HydrophobicContact CD2-CZ 3.76Å; Q73-F85 HydrophobicContact CB-CD2 4.27Å; Q73-F85 HydrophobicContact CG-CD2 3.86Å; Q73-F85 HydrophobicContact CG-CE2 4.32Å; I80-F85 HydrophobicContact CG2-CB 3.93Å; I80-F85 HydrophobicContact CG2-CG 4.21Å; N81-F85 WeakPolarHBondContact O-CB 3.32Å; N81-F85 PolarHBondContact O-N 2.66Å; E83-F85 VanDerWaalsContact C-N 3.33Å; F85-K87 VanDerWaalsContact C-N 3.34Å; F85-K87 PolarHBondContact O-N 2.91Å; F85-H88 WeakPolarHBondContact O-CB 3.39Å; F85-H88 PolarHBondContact O-N 3.42Å; F85-H88 VanDerWaalsContact O-N 3.12Å; F85-I89 HydrophobicContact CD2-CG1 4.3Å; F85-I89 HydrophobicContact CE1-CG1 4.43Å; F85-I89 HydrophobicContact CE2-CD1 3.99Å; F85-I89 HydrophobicContact CE2-CG1 3.9Å; F85-I89 HydrophobicContact CZ-CD1 4.37Å; F85-I89 HydrophobicContact CZ-CG1 3.98Å; F85-I89 WeakPolarHBondContact O-CG1 3.41Å; F85-I89 PolarHBondContact O-N 3Å
86V96.4Very high94.2Very high8 Ų866.9 Ų66.95%0.04839%0.385CS..Hα-helixtrans-61.9-41.8178.5174.40000110.9Y27 F30 V31 L34 Y82 H88 I89 M90Y27-V86 HydrophobicContact CD2-CB 4.31Å; Y27-V86 HydrophobicContact CD2-CG1 3.58Å; Y27-V86 HydrophobicContact CE2-CB 4.06Å; Y27-V86 HydrophobicContact CE2-CG1 3.85Å; F30-V86 HydrophobicContact CB-CG1 3.81Å; F30-V86 HydrophobicContact CB-CG2 4.13Å; F30-V86 HydrophobicContact CD2-CG1 4.36Å; V31-V86 HydrophobicContact CG2-CB 4.29Å; V31-V86 HydrophobicContact CG2-CG1 4.37Å; V31-V86 HydrophobicContact CG2-CG2 4.36Å; L34-V86 HydrophobicContact CD1-CG2 3.63Å; Y82-V86 WeakPolarHBondContact O-CB 3.26Å; Y82-V86 VanDerWaalsContact O-CG2 3.22Å; Y82-V86 WeakPolarHBondContact O-CG2 3.44Å; Y82-V86 PolarHBondContact O-N 3.36Å; V86-H88 VanDerWaalsContact C-N 3.29Å; V86-H88 PolarHBondContact O-N 3.05Å; V86-I89 PolarHBondContact O-N 3.12Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.8Å; V86-M90 WeakPolarHBondContact O-CB 3.35Å; V86-M90 WeakPolarHBondContact O-CG 3.49Å; V86-M90 PolarHBondContact O-N 3.13Å
87K95.9Very high94.1Very high121 Ų12163.6 Ų63.653%0.52636%0.356SS..Hα-helixtrans-58.2-42.8174.3-76.5178.6-174.1161.60112Y27 E83 A84 F85 S91Y27-K87 HydrophobicContact CD2-CG 4.15Å; Y27-K87 HydrophobicContact CE2-CD 4.38Å; Y27-K87 HydrophobicContact CE2-CG 3.47Å; Y27-K87 VanDerWaalsContact CE2-CG 3.47Å; Y27-K87 WeakPolarHBondContact OH-CE 3.46Å; E83-K87 WeakPolarHBondContact O-CG 3.38Å; E83-K87 PolarHBondContact O-N 3.06Å; A84-K87 PolarHBondContact O-N 3.48Å; F85-K87 VanDerWaalsContact C-N 3.34Å; F85-K87 PolarHBondContact O-N 2.91Å; K87-S91 VanDerWaalsContact O-CB 3.31Å; K87-S91 WeakPolarHBondContact O-CB 3.37Å; K87-S91 PolarHBondContact O-N 3.35Å; K87-S91 VanDerWaalsContact O-N 3.15Å; K87-S91 PolarHBondContact O-OG 3.35Å
88H94.3Very high94.1Very high87 Ų8759.4 Ų59.440%0.40334%0.335SS..Hα-helixtrans-60.4-51.2177.7178.158.2000110.7A84 F85 V86 M90 S91A84-H88 WeakPolarHBondContact O-CB 3.44Å; A84-H88 PolarHBondContact O-N 2.8Å; F85-H88 WeakPolarHBondContact O-CB 3.39Å; F85-H88 PolarHBondContact O-N 3.42Å; F85-H88 VanDerWaalsContact O-N 3.12Å; V86-H88 VanDerWaalsContact C-N 3.29Å; V86-H88 PolarHBondContact O-N 3.05Å; H88-M90 PolarHBondContact O-N 3.18Å; H88-S91 PolarHBondContact O-N 2.92Å; H88-S91 VanDerWaalsContact O-N 3.15Å; H88-S91 PolarHBondContact O-OG 3.28Å
89I93.3Very high94Very high65 Ų6562.1 Ų62.133%0.33334%0.343SS..Hα-helixtrans-61-42.2-179.4-61.3-46000112.4L69 F85 V86 S91L69-I89 HydrophobicContact CD1-CD1 3.31Å; L69-I89 HydrophobicContact CD1-CG1 4.19Å; L69-I89 HydrophobicContact CG-CD1 4.13Å; F85-I89 HydrophobicContact CD2-CG1 4.3Å; F85-I89 HydrophobicContact CE1-CG1 4.43Å; F85-I89 HydrophobicContact CE2-CD1 3.99Å; F85-I89 HydrophobicContact CE2-CG1 3.9Å; F85-I89 HydrophobicContact CZ-CD1 4.37Å; F85-I89 HydrophobicContact CZ-CG1 3.98Å; F85-I89 WeakPolarHBondContact O-CG1 3.41Å; F85-I89 PolarHBondContact O-N 3Å; V86-I89 PolarHBondContact O-N 3.12Å; I89-S91 PolarHBondContact O-N 3.1Å
90M92.6Very high93.8Very high90 Ų9064.5 Ų64.544%0.44335%0.353SS..Hα-helixtrans-77-8-179.3-64.3-172.876.900114.2Y27 F30 V86 H88Y27-M90 VanDerWaalsContact CA-SD 3.55Å; Y27-M90 HydrophobicContact CD2-SD 4.15Å; F30-M90 HydrophobicContact CD2-CE 4.39Å; F30-M90 HydrophobicContact CD2-SD 3.87Å; F30-M90 HydrophobicContact CE2-CE 4.23Å; F30-M90 HydrophobicContact CE2-SD 4.24Å; V86-M90 HydrophobicContact CG1-CG 4.18Å; V86-M90 HydrophobicContact CG1-SD 3.8Å; V86-M90 WeakPolarHBondContact O-CB 3.35Å; V86-M90 WeakPolarHBondContact O-CG 3.49Å; V86-M90 PolarHBondContact O-N 3.13Å; H88-M90 PolarHBondContact O-N 3.18Å
91S90.1Very high93.5Very high91 Ų9169.9 Ų69.964%0.63638%0.383SS*.THydrogen-bonded Turntrans-91.8-8.2178.871.20000114.2K87 H88 I89K87-S91 VanDerWaalsContact O-CB 3.31Å; K87-S91 WeakPolarHBondContact O-CB 3.37Å; K87-S91 PolarHBondContact O-N 3.35Å; K87-S91 VanDerWaalsContact O-N 3.15Å; K87-S91 PolarHBondContact O-OG 3.35Å; H88-S91 PolarHBondContact O-N 2.92Å; H88-S91 VanDerWaalsContact O-N 3.15Å; H88-S91 PolarHBondContact O-OG 3.28Å; I89-S91 PolarHBondContact O-N 3.1Å
92V74.3Confident93.1Very high166 Ų16669.7 Ų69.7100%1.00638%0.383SS*.  trans-88.90177.9-175.40000109.8

Retrieved 92 of 92 residues in 96.7 ms (Link to these results)