A0A096NRL1_PAPAN Loading...

RELT like 2

AlphaFold DB , UniProt , Accession A0A096NRL1, Species PAPAN (Papio anubis, Olive baboon), Gene RELL2, Length 303 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
1M47.1Very low55Low247 Ų247143.8 Ų143.8100%1.21779%0.789SS**  0126.60-78.1161.6159.800106.6
2S54Low55.7Low121 Ų121140.7 Ų140.785%0.84676%0.764SS**PPolyproline II helixtrans-89.8133.8173.7-51.70000108.4
3E58Low57.3Low186 Ų186135.3 Ų135.387%0.86973%0.731SS**PPolyproline II helixtrans-63.7135.7168.1-106.9178.490.700109.8Q5E3-Q5 PolarHBondContact O-N 3.35Å
4P57.8Low59.2Low117 Ų117129.3 Ų129.376%0.7672%0.716SS**PPolyproline II helixtrans-70.4119.8166.729.6-30.9000108.6
5Q49Very low61.2Low173 Ų173127.9 Ų127.981%0.80871%0.706SS**PPolyproline II helixtrans-56.1142.1167.5-82.9-87.6-89.200109.8E3 D7E3-Q5 PolarHBondContact O-N 3.35Å; Q5-D7 PolarHBondContact O-N 3.18Å
6P53.4Low63.1Low109 Ų109129.1 Ų129.171%0.70870%0.698SS**PPolyproline II helixtrans-64.1118.1168.427.9-32.2000108.3
7D46.8Very low64.7Low155 Ų155129.4 Ų129.483%0.82970%0.696SS**PPolyproline II helixtrans-64137.6-176.9-153.2-16.2000110.3Q5 E9Q5-D7 PolarHBondContact O-N 3.18Å; D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 3.26Å
8L56.9Low66.3Low164 Ų164127.9 Ų127.986%0.85969%0.687SS**  trans-8972-164.3-129166.1000109.8
9E60.2Low67.7Low128 Ų128128.2 Ų128.260%0.59868%0.682SS**  trans-45.8138.5-174.9-90.3-109.982.400113.4D7 H13D7-E9 VanDerWaalsContact C-N 3.28Å; D7-E9 PolarHBondContact O-N 3.26Å; E9-H13 IonicContact OE1-CE1 2.73Å; E9-H13 PolarHBondContact OE1-CE1 3.05Å; E9-H13 IonicContact OE1-ND1 3.88Å; E9-H13 IonicContact OE1-NE2 3.58Å; E9-H13 IonicContact OE2-CD2 2.74Å; E9-H13 IonicContact OE2-CE1 3.01Å; E9-H13 PolarHBondContact OE2-CE1 2.95Å; E9-H13 VanDerWaalsContact OE2-CE1 3.26Å; E9-H13 IonicContact OE2-CG 3.68Å; E9-H13 IonicContact OE2-ND1 3.96Å; E9-H13 IonicContact OE2-NE2 3.26Å
10P60.9Low69.1Low67 Ų67126.4 Ų126.444%0.43567%0.672SS.*  trans-65.4156.1-167.125.8-35.1000113Q12 H13P10-Q12 PolarHBondContact O-N 3.09Å; P10-H13 PolarHBondContact O-N 3.12Å; P10-H13 VanDerWaalsContact O-N 3.12Å; P10-H13 PolarHBondContact O-ND1 3.48Å; P10-H13 VanDerWaalsContact O-ND1 3.09Å
11P60.3Low70.3Confident115 Ų115125.9 Ų125.975%0.74767%0.668SS**THydrogen-bonded Turntrans-62.4-4.8-169.123.5-35.3000116H13P11-H13 PolarHBondContact O-N 3.39Å
12Q64.3Low72.7Confident106 Ų106118.2 Ų118.250%0.49564%0.636SS.*Hα-helixtrans-62.2-29.9171-57.2-57.3-30.600112.3P10 G14 L15 Y16P10-Q12 PolarHBondContact O-N 3.09Å; Q12-G14 VanDerWaalsContact C-N 3.3Å; Q12-G14 PolarHBondContact O-N 3.03Å; Q12-L15 WeakPolarHBondContact O-CB 3.31Å; Q12-L15 PolarHBondContact O-N 2.9Å; Q12-Y16 HydrophobicContact CB-CD2 4.23Å; Q12-Y16 HydrophobicContact CB-CE2 4.07Å; Q12-Y16 VanDerWaalsContact O-CD2 3.31Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.2Å; Q12-Y16 PolarHBondContact O-N 3.02Å
13H75.5Confident74.7Confident71 Ų71115.9 Ų115.933%0.32961%0.613SS.*Hα-helixtrans-65.8-29.9-176.2-68.9101.4000113.8E9 P10 P11 L15 Y16 M17E9-H13 IonicContact OE1-CE1 2.73Å; E9-H13 PolarHBondContact OE1-CE1 3.05Å; E9-H13 IonicContact OE1-ND1 3.88Å; E9-H13 IonicContact OE1-NE2 3.58Å; E9-H13 IonicContact OE2-CD2 2.74Å; E9-H13 IonicContact OE2-CE1 3.01Å; E9-H13 PolarHBondContact OE2-CE1 2.95Å; E9-H13 VanDerWaalsContact OE2-CE1 3.26Å; E9-H13 IonicContact OE2-CG 3.68Å; E9-H13 IonicContact OE2-ND1 3.96Å; E9-H13 IonicContact OE2-NE2 3.26Å; P10-H13 PolarHBondContact O-N 3.12Å; P10-H13 VanDerWaalsContact O-N 3.12Å; P10-H13 PolarHBondContact O-ND1 3.48Å; P10-H13 VanDerWaalsContact O-ND1 3.09Å; P11-H13 PolarHBondContact O-N 3.39Å; H13-L15 VanDerWaalsContact C-N 3.32Å; H13-L15 PolarHBondContact O-N 2.81Å; H13-Y16 PolarHBondContact O-N 3.31Å; H13-M17 VanDerWaalsContact O-CB 3.32Å; H13-M17 WeakPolarHBondContact O-CB 3.32Å; H13-M17 WeakPolarHBondContact O-CG 3.46Å; H13-M17 PolarHBondContact O-N 2.84Å
14G84.4Confident76.6Confident51 Ų51111 Ų11153%0.52660%0.596SS.*Hα-helixtrans-62.6-38.4170.500000112.7Q12 L18Q12-G14 VanDerWaalsContact C-N 3.3Å; Q12-G14 PolarHBondContact O-N 3.03Å; G14-L18 VanDerWaalsContact O-CB 3.31Å; G14-L18 WeakPolarHBondContact O-CB 3.28Å; G14-L18 PolarHBondContact O-N 3.37Å
15L89.1Confident78.4Confident108 Ų108113.2 Ų113.257%0.56559%0.594SS**Hα-helixtrans-72.7-41.9178.2-59.7179.3000111.8Q12 H13 L18 F19Q12-L15 WeakPolarHBondContact O-CB 3.31Å; Q12-L15 PolarHBondContact O-N 2.9Å; H13-L15 VanDerWaalsContact C-N 3.32Å; H13-L15 PolarHBondContact O-N 2.81Å; L15-L18 PolarHBondContact O-N 3.47Å; L15-F19 VanDerWaalsContact O-CB 3.29Å; L15-F19 WeakPolarHBondContact O-CB 3.38Å; L15-F19 PolarHBondContact O-N 2.86Å
16Y91.1Very high80.7Confident147 Ų147110.9 Ų110.958%0.57658%0.581SS**Hα-helixtrans-64.4-43.1174.3-74.5-65.4000112.2Q12 H13 F19 L20Q12-Y16 HydrophobicContact CB-CD2 4.23Å; Q12-Y16 HydrophobicContact CB-CE2 4.07Å; Q12-Y16 VanDerWaalsContact O-CD2 3.31Å; Q12-Y16 WeakPolarHBondContact O-CD2 3.2Å; Q12-Y16 PolarHBondContact O-N 3.02Å; H13-Y16 PolarHBondContact O-N 3.31Å; Y16-F19 PolarHBondContact O-N 3.43Å; Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 VanDerWaalsContact O-CG 3.25Å; Y16-L20 WeakPolarHBondContact O-CG 3.28Å; Y16-L20 PolarHBondContact O-N 3.42Å
17M90.9Very high82.8Confident135 Ų135110.2 Ų110.267%0.66557%0.571SS**Hα-helixtrans-63.4-41.1175.6-71.9-67.6-176.800112H13 L21H13-M17 VanDerWaalsContact O-CB 3.32Å; H13-M17 WeakPolarHBondContact O-CB 3.32Å; H13-M17 WeakPolarHBondContact O-CG 3.46Å; H13-M17 PolarHBondContact O-N 2.84Å; M17-L21 VanDerWaalsContact O-CB 3.28Å; M17-L21 WeakPolarHBondContact O-CB 3.34Å; M17-L21 PolarHBondContact O-N 2.91Å
18L93.4Very high85.2Confident102 Ų102108.9 Ų108.953%0.53456%0.561SS.*Hα-helixtrans-65.6-43.3175-179.360.8000111.9G14 L15 L21 V22G14-L18 VanDerWaalsContact O-CB 3.31Å; G14-L18 WeakPolarHBondContact O-CB 3.28Å; G14-L18 PolarHBondContact O-N 3.37Å; L15-L18 PolarHBondContact O-N 3.47Å; L18-L21 PolarHBondContact O-N 2.99Å; L18-V22 HydrophobicContact CD1-CG2 4.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 2.87Å
19F93.9Very high87.1Confident134 Ų134103 Ų10359%0.58854%0.541SS*.Hα-helixtrans-61.7-44.8176.4179.1-97.5000111.7L15 Y16 V22 L23L15-F19 VanDerWaalsContact O-CB 3.29Å; L15-F19 WeakPolarHBondContact O-CB 3.38Å; L15-F19 PolarHBondContact O-N 2.86Å; Y16-F19 PolarHBondContact O-N 3.43Å; F19-V22 PolarHBondContact O-N 3.35Å; F19-L23 HydrophobicContact CE1-CD2 4.35Å; F19-L23 VanDerWaalsContact O-CB 3.24Å; F19-L23 WeakPolarHBondContact O-CB 3.38Å; F19-L23 PolarHBondContact O-N 2.86Å
20L94.4Very high88.8Confident92 Ų92100.8 Ų100.848%0.48253%0.533SS..Hα-helixtrans-63.8-40.8175-71.6171.7000111.9Y16 L23 V24Y16-L20 WeakPolarHBondContact O-CB 3.24Å; Y16-L20 VanDerWaalsContact O-CG 3.25Å; Y16-L20 WeakPolarHBondContact O-CG 3.28Å; Y16-L20 PolarHBondContact O-N 3.42Å; L20-L23 PolarHBondContact O-N 3.3Å; L20-V24 WeakPolarHBondContact O-CB 3.29Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 2.89Å
21L95.6Very high90.5Very high115 Ų115101.3 Ų101.360%0.60254%0.535SS*.Hα-helixtrans-63.8-44176.7-178.661.9000111.9M17 L18 F25M17-L21 VanDerWaalsContact O-CB 3.28Å; M17-L21 WeakPolarHBondContact O-CB 3.34Å; M17-L21 PolarHBondContact O-N 2.91Å; L18-L21 PolarHBondContact O-N 2.99Å; L21-F25 VanDerWaalsContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 2.89Å
22V96.7Very high92.2Very high87 Ų8797.3 Ų97.353%0.52751%0.514SS..Hα-helixtrans-65.4-41.9175.21710000111.1L18 F19 F25 F26L18-V22 HydrophobicContact CD1-CG2 4.29Å; L18-V22 WeakPolarHBondContact O-CG2 3.25Å; L18-V22 PolarHBondContact O-N 2.87Å; F19-V22 PolarHBondContact O-N 3.35Å; V22-F25 PolarHBondContact O-N 3.35Å; V22-F26 VanDerWaalsContact O-CB 3.29Å; V22-F26 WeakPolarHBondContact O-CB 3.36Å; V22-F26 PolarHBondContact O-N 3.4Å
23L96.4Very high93.6Very high71 Ų7198.6 Ų98.637%0.37252%0.518SS..Hα-helixtrans-63.3-45.5176.7179.661.5000111.7F19 L20 F26 L27F19-L23 HydrophobicContact CE1-CD2 4.35Å; F19-L23 VanDerWaalsContact O-CB 3.24Å; F19-L23 WeakPolarHBondContact O-CB 3.38Å; F19-L23 PolarHBondContact O-N 2.86Å; L20-L23 PolarHBondContact O-N 3.3Å; L23-F26 PolarHBondContact O-N 3.48Å; L23-L27 HydrophobicContact CD1-CD1 4.26Å; L23-L27 HydrophobicContact CD1-CG 4.38Å; L23-L27 HydrophobicContact CG-CD1 4.13Å; L23-L27 WeakPolarHBondContact O-CB 3.27Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.88Å
24V96.9Very high94.5Very high84 Ų84100.6 Ų100.651%0.50953%0.529SS..Hα-helixtrans-64.2-43.5175.7168.70000110.9L20 F26 L27 M28L20-V24 WeakPolarHBondContact O-CB 3.29Å; L20-V24 VanDerWaalsContact O-CG2 3.28Å; L20-V24 WeakPolarHBondContact O-CG2 3.44Å; L20-V24 PolarHBondContact O-N 2.89Å; V24-F26 VanDerWaalsContact C-N 3.34Å; V24-F26 PolarHBondContact O-N 3.39Å; V24-L27 PolarHBondContact O-N 3.46Å; V24-M28 HydrophobicContact CG1-CG 4.35Å; V24-M28 WeakPolarHBondContact O-CB 3.27Å; V24-M28 VanDerWaalsContact O-CG 3.27Å; V24-M28 WeakPolarHBondContact O-CG 3.29Å; V24-M28 PolarHBondContact O-N 3.39Å
25F97.3Very high94.9Very high163 Ų163102.6 Ų102.672%0.71553%0.527SS*.Hα-helixtrans-61.4-41.6175.4-178.1-97.9000112L21 V22 M28 G29L21-F25 VanDerWaalsContact O-CB 3.3Å; L21-F25 WeakPolarHBondContact O-CB 3.31Å; L21-F25 PolarHBondContact O-N 2.89Å; V22-F25 PolarHBondContact O-N 3.35Å; F25-M28 PolarHBondContact O-N 3.42Å; F25-G29 PolarHBondContact O-N 3.49Å
26F97.3Very high95.1Very high124 Ų124100 Ų10054%0.54452%0.517SS..Hα-helixtrans-65.6-45.2176.7-175.8-108.1000112.1V22 L23 V24 G29 L30V22-F26 VanDerWaalsContact O-CB 3.29Å; V22-F26 WeakPolarHBondContact O-CB 3.36Å; V22-F26 PolarHBondContact O-N 3.4Å; L23-F26 PolarHBondContact O-N 3.48Å; V24-F26 VanDerWaalsContact C-N 3.34Å; V24-F26 PolarHBondContact O-N 3.39Å; F26-G29 PolarHBondContact O-N 2.91Å; F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.46Å; F26-L30 VanDerWaalsContact CE1-CD1 3.46Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CE2-CD1 4.47Å; F26-L30 HydrophobicContact CE2-CG 4.39Å; F26-L30 HydrophobicContact CZ-CD1 3.74Å; F26-L30 HydrophobicContact CZ-CD2 4.34Å; F26-L30 HydrophobicContact CZ-CG 4.12Å; F26-L30 WeakPolarHBondContact O-CG 3.3Å; F26-L30 PolarHBondContact O-N 2.89Å
27L96.8Very high95.1Very high95 Ų9596.3 Ų96.350%0.49751%0.505SS..Hα-helixtrans-61.5-45.5175.1-71.3169.5000111.6L23 V24 G29 L30 V31L23-L27 HydrophobicContact CD1-CD1 4.26Å; L23-L27 HydrophobicContact CD1-CG 4.38Å; L23-L27 HydrophobicContact CG-CD1 4.13Å; L23-L27 WeakPolarHBondContact O-CB 3.27Å; L23-L27 VanDerWaalsContact O-CG 3.27Å; L23-L27 WeakPolarHBondContact O-CG 3.34Å; L23-L27 PolarHBondContact O-N 2.88Å; V24-L27 PolarHBondContact O-N 3.46Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 3.48Å; L27-L30 PolarHBondContact O-N 2.85Å; L27-V31 WeakPolarHBondContact O-CB 3.3Å; L27-V31 VanDerWaalsContact O-CG2 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.42Å; L27-V31 PolarHBondContact O-N 2.82Å
28M96.6Very high95.3Very high127 Ų12793.2 Ų93.263%0.62649%0.494SS*.Hα-helixtrans-62.7-39.3174.7-73.9-62.5-6300112.3V24 F25 V31 G32V24-M28 HydrophobicContact CG1-CG 4.35Å; V24-M28 WeakPolarHBondContact O-CB 3.27Å; V24-M28 VanDerWaalsContact O-CG 3.27Å; V24-M28 WeakPolarHBondContact O-CG 3.29Å; V24-M28 PolarHBondContact O-N 3.39Å; F25-M28 PolarHBondContact O-N 3.42Å; M28-V31 PolarHBondContact O-N 2.85Å; M28-G32 PolarHBondContact O-N 3.27Å
29G96.4Very high95.2Very high42 Ų4291.2 Ų91.243%0.43348%0.483SS..Hα-helixtrans-65.4-43.7175.800000112.9F25 F26 L27 G32 F33F25-G29 PolarHBondContact O-N 3.49Å; F26-G29 PolarHBondContact O-N 2.91Å; L27-G29 VanDerWaalsContact C-N 3.34Å; L27-G29 PolarHBondContact O-N 3.48Å; G29-G32 PolarHBondContact O-N 3.49Å; G29-F33 PolarHBondContact O-N 3.49Å
30L96.8Very high94.9Very high80 Ų8092.3 Ų92.342%0.41949%0.488SS..Hα-helixtrans-65.7-41.4174.4-72.2-175.3000112.1F26 L27 G32 F33 M34F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.45Å; F26-L30 HydrophobicContact CE1-CD1 3.46Å; F26-L30 VanDerWaalsContact CE1-CD1 3.46Å; F26-L30 HydrophobicContact CE1-CG 4.16Å; F26-L30 HydrophobicContact CE2-CD1 4.47Å; F26-L30 HydrophobicContact CE2-CG 4.39Å; F26-L30 HydrophobicContact CZ-CD1 3.74Å; F26-L30 HydrophobicContact CZ-CD2 4.34Å; F26-L30 HydrophobicContact CZ-CG 4.12Å; F26-L30 WeakPolarHBondContact O-CG 3.3Å; F26-L30 PolarHBondContact O-N 2.89Å; L27-L30 PolarHBondContact O-N 2.85Å; L30-G32 VanDerWaalsContact C-N 3.34Å; L30-F33 PolarHBondContact O-N 3.26Å; L30-M34 WeakPolarHBondContact O-CB 3.09Å; L30-M34 WeakPolarHBondContact O-CG 3.44Å; L30-M34 PolarHBondContact O-N 3.3Å
31V96.9Very high94.7Very high79 Ų7995.6 Ų95.648%0.47950%0.498SS..Hα-helixtrans-61.6-43.5173.1167.70000110.5L27 M28 F33 M34 I35L27-V31 WeakPolarHBondContact O-CB 3.3Å; L27-V31 VanDerWaalsContact O-CG2 3.3Å; L27-V31 WeakPolarHBondContact O-CG2 3.42Å; L27-V31 PolarHBondContact O-N 2.82Å; M28-V31 PolarHBondContact O-N 2.85Å; V31-F33 PolarHBondContact O-N 3.34Å; V31-M34 PolarHBondContact O-N 2.84Å; V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.49Å; V31-I35 WeakPolarHBondContact O-CB 3.26Å; V31-I35 VanDerWaalsContact O-CG1 3.26Å; V31-I35 WeakPolarHBondContact O-CG1 3.37Å; V31-I35 PolarHBondContact O-N 3.29Å
32G95Very high94.2Very high30 Ų3097.1 Ų97.131%0.30950%0.5SS..Hα-helixtrans-57.3-47.5172.600000112.6M28 G29 L30 I35 C36M28-G32 PolarHBondContact O-N 3.27Å; G29-G32 PolarHBondContact O-N 3.49Å; L30-G32 VanDerWaalsContact C-N 3.34Å; G32-I35 PolarHBondContact O-N 3.49Å; G32-C36 WeakPolarHBondContact O-CB 3.44Å; G32-C36 PolarHBondContact O-N 3.4Å; G32-C36 PolarHBondContact O-SG 2.86Å
33F94.2Very high93.7Very high134 Ų13496.3 Ų96.359%0.58851%0.509SS*.Hα-helixtrans-62.6-42.6175.8178.5-98.9000112.7G29 L30 V31 I35 C36 H37G29-F33 PolarHBondContact O-N 3.49Å; L30-F33 PolarHBondContact O-N 3.26Å; V31-F33 PolarHBondContact O-N 3.34Å; F33-I35 PolarHBondContact O-N 2.87Å; F33-C36 PolarHBondContact O-N 2.91Å; F33-H37 WeakPolarHBondContact O-CB 3.37Å; F33-H37 PolarHBondContact O-N 2.86Å
34M94.4Very high93.3Very high113 Ų11399.9 Ų99.956%0.55752%0.519SS*.Hα-helixtrans-59.8-45.4175.7-67.8-109.169.200111.3L30 V31 H37 V38L30-M34 WeakPolarHBondContact O-CB 3.09Å; L30-M34 WeakPolarHBondContact O-CG 3.44Å; L30-M34 PolarHBondContact O-N 3.3Å; V31-M34 PolarHBondContact O-N 2.84Å; M34-H37 PolarHBondContact O-N 3.33Å; M34-V38 WeakPolarHBondContact O-CG2 3.36Å; M34-V38 PolarHBondContact O-N 3.18Å
35I93.6Very high92.6Very high93 Ų93100.9 Ų100.948%0.47751%0.514SS..Hα-helixtrans-61.7-52175.4-68.8164.5000110V31 G32 F33 H37 V38 L39V31-I35 HydrophobicContact CG1-CD1 3.76Å; V31-I35 HydrophobicContact CG1-CG1 4.49Å; V31-I35 WeakPolarHBondContact O-CB 3.26Å; V31-I35 VanDerWaalsContact O-CG1 3.26Å; V31-I35 WeakPolarHBondContact O-CG1 3.37Å; V31-I35 PolarHBondContact O-N 3.29Å; G32-I35 PolarHBondContact O-N 3.49Å; F33-I35 PolarHBondContact O-N 2.87Å; I35-H37 VanDerWaalsContact C-N 3.27Å; I35-H37 PolarHBondContact O-N 3.27Å; I35-V38 PolarHBondContact O-N 2.99Å; I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.46Å
36C92.1Very high91.6Very high54 Ų5496.3 Ų96.337%0.36550%0.501SS..Hα-helixtrans-56.8-38.2177.5-72.60000112.8G32 F33 K40 C46G32-C36 WeakPolarHBondContact O-CB 3.44Å; G32-C36 PolarHBondContact O-N 3.4Å; G32-C36 PolarHBondContact O-SG 2.86Å; F33-C36 PolarHBondContact O-N 2.91Å; C36-K40 WeakPolarHBondContact O-CB 3.33Å; C36-K40 PolarHBondContact O-N 3.39Å; C36-C46 VanDerWaalsContact SG-SG 3.63Å
37H92.1Very high90.8Very high68 Ų6897.2 Ų97.232%0.31550%0.501SS..Hα-helixtrans-71.4-40177.6179-138.2000112.7F33 M34 I35 L39 K40 K41F33-H37 WeakPolarHBondContact O-CB 3.37Å; F33-H37 PolarHBondContact O-N 2.86Å; M34-H37 PolarHBondContact O-N 3.33Å; I35-H37 VanDerWaalsContact C-N 3.27Å; I35-H37 PolarHBondContact O-N 3.27Å; H37-L39 VanDerWaalsContact C-N 3.35Å; H37-K40 PolarHBondContact O-N 2.83Å; H37-K41 VanDerWaalsContact NE2-CE 3.33Å; H37-K41 WeakPolarHBondContact NE2-CE 3.33Å; H37-K41 WeakPolarHBondContact O-CB 3.45Å; H37-K41 PolarHBondContact O-N 3.27Å
38V94.3Very high89.1Confident71 Ų7199.5 Ų99.543%0.4352%0.519SS..Hα-helixtrans-66.9-37.1173.5170.50000111.3M34 I35 K42M34-V38 WeakPolarHBondContact O-CG2 3.36Å; M34-V38 PolarHBondContact O-N 3.18Å; I35-V38 PolarHBondContact O-N 2.99Å; V38-K42 HydrophobicContact CG1-CD 4.34Å; V38-K42 WeakPolarHBondContact O-CG 3.28Å; V38-K42 PolarHBondContact O-N 2.96Å
39L91.4Very high86.7Confident60 Ų6098.2 Ų98.231%0.31452%0.522SS..Hα-helixtrans-65.7-47.5173.5-72.9178.4000111.2I35 H37 K41 K42 G43 Y44I35-L39 HydrophobicContact CG2-CD1 3.74Å; I35-L39 HydrophobicContact CG2-CG 4.21Å; I35-L39 WeakPolarHBondContact O-CB 3.49Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.4Å; I35-L39 PolarHBondContact O-N 3.46Å; H37-L39 VanDerWaalsContact C-N 3.35Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.85Å; L39-K42 CarbonylContact O-C 3.53Å; L39-K42 WeakPolarHBondContact O-CA 3.45Å; L39-K42 PolarHBondContact O-N 3.34Å; L39-G43 PolarHBondContact O-N 2.98Å; L39-Y44 CarbonylContact C-O 3.55Å; L39-Y44 HydrophobicContact CB-CD2 4.39Å; L39-Y44 HydrophobicContact CD2-CD2 3.61Å; L39-Y44 HydrophobicContact CD2-CE2 4.14Å; L39-Y44 HydrophobicContact CD2-CG 4.08Å; L39-Y44 PolarHBondContact O-N 3.27Å
40K88.7Confident84.4Confident157 Ų157107.3 Ų107.368%0.68354%0.544SS*.Hα-helixtrans-57.7-44.3175.1-163.9-179.287.4155.50111.7C36 H37 K42 G43C36-K40 WeakPolarHBondContact O-CB 3.33Å; C36-K40 PolarHBondContact O-N 3.39Å; H37-K40 PolarHBondContact O-N 2.83Å; K40-K42 PolarHBondContact O-N 3.11Å; K40-G43 PolarHBondContact O-N 2.93Å
41K89Confident82.1Confident161 Ų161107.4 Ų107.470%0.756%0.564SS**Hα-helixtrans-64.1-16.6175.7-81.9-172.5167.6-175.80114.4H37 L39H37-K41 VanDerWaalsContact NE2-CE 3.33Å; H37-K41 WeakPolarHBondContact NE2-CE 3.33Å; H37-K41 WeakPolarHBondContact O-CB 3.45Å; H37-K41 PolarHBondContact O-N 3.27Å; L39-K41 VanDerWaalsContact C-N 3.34Å; L39-K41 PolarHBondContact O-N 2.85Å
42K86.3Confident79.3Confident146 Ų146108.6 Ų108.664%0.63558%0.576SS**THydrogen-bonded Turntrans-101.48.1174.4-69.8174.4179-177.80113.1V38 L39 K40 Y44V38-K42 HydrophobicContact CG1-CD 4.34Å; V38-K42 WeakPolarHBondContact O-CG 3.28Å; V38-K42 PolarHBondContact O-N 2.96Å; L39-K42 CarbonylContact O-C 3.53Å; L39-K42 WeakPolarHBondContact O-CA 3.45Å; L39-K42 PolarHBondContact O-N 3.34Å; K40-K42 PolarHBondContact O-N 3.11Å; K42-Y44 VanDerWaalsContact C-N 3.35Å; K42-Y44 HydrophobicContact CB-CD2 3.65Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; K42-Y44 HydrophobicContact CD-CE2 4.18Å
43G85.4Confident76.3Confident71 Ų71116.2 Ų116.273%0.73260%0.603SS**THydrogen-bonded Turntrans81.34.3-179.900000115.4L39 K40L39-G43 PolarHBondContact O-N 2.98Å; K40-G43 PolarHBondContact O-N 2.93Å
44Y87.6Confident74.1Confident145 Ų145115.2 Ų115.257%0.56961%0.61SS**  trans-80.4129.9173-57.4-81.4000110.3L39 K42L39-Y44 CarbonylContact C-O 3.55Å; L39-Y44 HydrophobicContact CB-CD2 4.39Å; L39-Y44 HydrophobicContact CD2-CD2 3.61Å; L39-Y44 HydrophobicContact CD2-CE2 4.14Å; L39-Y44 HydrophobicContact CD2-CG 4.08Å; L39-Y44 PolarHBondContact O-N 3.27Å; K42-Y44 VanDerWaalsContact C-N 3.35Å; K42-Y44 HydrophobicContact CB-CD2 3.65Å; K42-Y44 HydrophobicContact CB-CE2 3.67Å; K42-Y44 HydrophobicContact CD-CE2 4.18Å
45R82.3Confident71.8Confident106 Ų106117 Ų11740%0.462%0.622SS.*  trans-91.7130.1168.2-87.2-174175.2108.72.5111.9R47 E63 D65R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 3.19Å; R45-E63 VanDerWaalsContact CD-OE1 3.24Å; R45-E63 WeakPolarHBondContact CD-OE1 3.35Å; R45-E63 WeakPolarHBondContact CD-OE2 3.4Å; R45-E63 IonicContact CZ-OE1 3.88Å; R45-E63 IonicContact NE-OE1 3.05Å; R45-E63 PolarHBondContact NH1-O 3.02Å; R45-E63 IonicContact NH1-OE1 3.53Å; R45-E63 PolarHBondContact NH1-OE1 3.33Å; R45-E63 PolarHBondContact NH2-O 2.96Å; R45-D65 IonicContact CZ-OD2 3.93Å; R45-D65 VanDerWaalsContact CZ-OD2 3.23Å; R45-D65 IonicContact NE-OD2 3.6Å; R45-D65 PolarHBondContact NE-OD2 3.25Å; R45-D65 IonicContact NH2-OD2 3.19Å; R45-D65 PolarHBondContact NH2-OD2 3.01Å
46C77.4Confident68.9Low66 Ų66119.9 Ų119.945%0.44664%0.638SS.*  trans-79.969.5178.6-58.40000111.3C36 T48C36-C46 VanDerWaalsContact SG-SG 3.63Å; C46-T48 PolarHBondContact O-N 3.21Å
47R80.3Confident66.9Low143 Ų143122.3 Ų122.354%0.5466%0.662SS.*  trans-68.2120.3171.8-72.8-171.9176.5-172.7-0.2109.6R45 S49 E63R45-R47 VanDerWaalsContact C-N 3.28Å; R45-R47 PolarHBondContact O-N 3.19Å; R47-S49 PolarHBondContact O-N 3.27Å; R47-E63 IonicContact CZ-OE2 3.46Å; R47-E63 VanDerWaalsContact CZ-OE2 3.27Å; R47-E63 IonicContact NE-OE2 2.75Å; R47-E63 PolarHBondContact NE-OE2 2.97Å; R47-E63 IonicContact NH2-OE1 3.12Å; R47-E63 IonicContact NH2-OE2 3.31Å; R47-E63 PolarHBondContact NH2-OE2 2.68Å
48T59.8Low64.8Low144 Ų144126.9 Ų126.988%0.88368%0.684SS**  trans-79.460.5177.452.20000111.4C46 R50C46-T48 PolarHBondContact O-N 3.21Å; T48-R50 PolarHBondContact O-N 3.04Å
49S46.7Very low62.6Low100 Ų100130.9 Ų130.970%0.69970%0.702SS**  trans-65.7118.6178.752.30000110.9R47 G51R47-S49 PolarHBondContact O-N 3.27Å; S49-G51 PolarHBondContact O-N 2.97Å
50R48.5Very low60.2Low233 Ų233134.9 Ų134.988%0.87972%0.719SS**  trans-58.8118.9155.2-86.2173.454.5165.4-3.7107.2T48 S52T48-R50 PolarHBondContact O-N 3.04Å; R50-S52 PolarHBondContact O-N 3.2Å
51G48.8Very low58.1Low82 Ų82132.5 Ų132.585%0.84572%0.72SS**  trans-67.2113.5-179.100000111.7S49S49-G51 PolarHBondContact O-N 2.97Å
52S37.4Very low56.3Low104 Ų104130 Ų13073%0.72772%0.72SS**  trans-153.8115.4162.555.60000109.6R50R50-S52 PolarHBondContact O-N 3.2Å
53E32.5Very low54.4Low189 Ų189126.2 Ų126.288%0.88371%0.705SS**  trans73.5138.2170.2-131.4152.6119.900118.5
54P48.4Very low52.6Low114 Ų114127.9 Ų127.974%0.7470%0.697SS**  trans-92.1176.6163.338.8-33.9000112.1
55D45.1Very low51Low150 Ų150126 Ų12680%0.80270%0.697SS**  trans61.8148.1-159.8-78.6-15.6000113.2
56D33.2Very low49.5Very low153 Ų153127.8 Ų127.882%0.81871%0.714SS**  cis-106.8147.73.1-80.1-73.8000113.4Q58D56-Q58 PolarHBondContact O-N 3.38Å
57A49.9Very low48.4Very low105 Ų105129.4 Ų129.487%0.86872%0.716SS**  trans-88.763.4174.400000113.3
58Q47.6Very low47.3Very low165 Ų165127.1 Ų127.177%0.77172%0.715SS**  trans-145117.5175-160160.7-58.600116.1D56D56-Q58 PolarHBondContact O-N 3.38Å
59L49.2Very low47.2Very low155 Ų155128 Ų12881%0.81271%0.709SS**  trans55.795.7158.8-61170.6000118.7
60Q41.2Very low48.4Very low143 Ų143126 Ų12667%0.66869%0.69SS**  trans-128.3136.8143-69.6-171.52.600109.2
61P44.4Very low49.8Very low107 Ų107118 Ų11870%0.69567%0.668SS**PPolyproline II helixtrans-62.2155.6168.9-2032.9000111.5E63P61-E63 PolarHBondContact O-N 2.84Å
62P50.2Low51.5Low109 Ų109118.6 Ų118.671%0.70865%0.654SS**PPolyproline II helixtrans-60.8127.5166.728.7-33.6000108.3
63E46.1Very low53.6Low67 Ų67118.5 Ų118.531%0.31364%0.642SS.*PPolyproline II helixtrans-75.1144.1-171.964.7-82.663.600112.5R45 R47 P61 D65R45-E63 VanDerWaalsContact CD-OE1 3.24Å; R45-E63 WeakPolarHBondContact CD-OE1 3.35Å; R45-E63 WeakPolarHBondContact CD-OE2 3.4Å; R45-E63 IonicContact CZ-OE1 3.88Å; R45-E63 IonicContact NE-OE1 3.05Å; R45-E63 PolarHBondContact NH1-O 3.02Å; R45-E63 IonicContact NH1-OE1 3.53Å; R45-E63 PolarHBondContact NH1-OE1 3.33Å; R45-E63 PolarHBondContact NH2-O 2.96Å; R47-E63 IonicContact CZ-OE2 3.46Å; R47-E63 VanDerWaalsContact CZ-OE2 3.27Å; R47-E63 IonicContact NE-OE2 2.75Å; R47-E63 PolarHBondContact NE-OE2 2.97Å; R47-E63 IonicContact NH2-OE1 3.12Å; R47-E63 IonicContact NH2-OE2 3.31Å; R47-E63 PolarHBondContact NH2-OE2 2.68Å; P61-E63 PolarHBondContact O-N 2.84Å; E63-D65 PolarHBondContact O-N 3.33Å
64D48.5Very low55.9Low105 Ų105117.1 Ų117.156%0.56163%0.629SS**  trans-9693.7-176.5-67.5-71.3000111.6D66 M67D64-D66 PolarHBondContact O-N 3.23Å; D64-M67 HydrophobicContact CB-CB 3.48Å; D64-M67 VanDerWaalsContact CB-CB 3.48Å; D64-M67 HydrophobicContact CB-CG 3.5Å; D64-M67 VanDerWaalsContact CB-CG 3.5Å
65D52.9Low57.7Low107 Ų107116 Ų11657%0.57262%0.616SS**THydrogen-bonded Turntrans-72.4-11.5171.5-73.7-52.1000112.5R45 E63 N68R45-D65 IonicContact CZ-OD2 3.93Å; R45-D65 VanDerWaalsContact CZ-OD2 3.23Å; R45-D65 IonicContact NE-OD2 3.6Å; R45-D65 PolarHBondContact NE-OD2 3.25Å; R45-D65 IonicContact NH2-OD2 3.19Å; R45-D65 PolarHBondContact NH2-OD2 3.01Å; E63-D65 PolarHBondContact O-N 3.33Å; D65-N68 VanDerWaalsContact C-ND2 3.27Å; D65-N68 PolarHBondContact O-ND2 2.7Å
66D52.1Low59.8Low143 Ų143112.3 Ų112.377%0.76560%0.599SS**THydrogen-bonded Turntrans-98.9-31.9174.3-83.1-73.1000113.6D64 N68 E69D64-D66 PolarHBondContact O-N 3.23Å; D66-N68 PolarHBondContact O-N 2.71Å; D66-E69 PolarHBondContact O-N 2.77Å
67M54.3Low62.1Low100 Ų100109.1 Ų109.149%0.49358%0.575SS.*Hα-helixtrans-69-15.9-177-71.1-75.3148.100113.7D64 T71D64-M67 HydrophobicContact CB-CB 3.48Å; D64-M67 VanDerWaalsContact CB-CB 3.48Å; D64-M67 HydrophobicContact CB-CG 3.5Å; D64-M67 VanDerWaalsContact CB-CG 3.5Å; M67-T71 WeakPolarHBondContact O-CB 3.24Å; M67-T71 PolarHBondContact O-N 3.49Å; M67-T71 PolarHBondContact O-OG1 2.74Å
68N55.6Low63.4Low95 Ų95108.2 Ų108.251%0.50856%0.561SS.*Hα-helixtrans-73-29.3-179.666.591.4000112.6D65 D66 T71 V72D65-N68 VanDerWaalsContact C-ND2 3.27Å; D65-N68 PolarHBondContact O-ND2 2.7Å; D66-N68 PolarHBondContact O-N 2.71Å; N68-T71 PolarHBondContact O-N 3.37Å; N68-V72 WeakPolarHBondContact O-CG2 3.43Å; N68-V72 PolarHBondContact O-N 2.8Å
69E59.5Low65Low161 Ų161104.5 Ų104.575%0.75255%0.546SS*.Hα-helixtrans-68.8-52.9173.8-169.2167107.300110.7D66 T71 V72 E73D66-E69 PolarHBondContact O-N 2.77Å; E69-T71 PolarHBondContact O-N 3.17Å; E69-V72 PolarHBondContact O-N 3.32Å; E69-E73 WeakPolarHBondContact O-CB 3.3Å; E69-E73 PolarHBondContact O-N 3Å
70D70.1Confident66.6Low58 Ų58102 Ų10231%0.3153%0.532SS..Hα-helixtrans-62.4-28.9172.3-179.757.8000111.7R74 R77D70-R74 WeakPolarHBondContact O-CA 3.49Å; D70-R74 WeakPolarHBondContact O-CB 3.17Å; D70-R74 PolarHBondContact O-N 3.47Å; D70-R77 IonicContact OD1-CZ 3.92Å; D70-R77 IonicContact OD1-NH1 2.87Å; D70-R77 PolarHBondContact OD1-NH1 3.4Å; D70-R77 IonicContact OD1-NH2 3.23Å; D70-R77 PolarHBondContact OD1-NH2 2.89Å
71T79.4Confident68.2Low67 Ų67102.5 Ų102.541%0.41154%0.535SS..Hα-helixtrans-66.8-45.4174.3-65.20000111.7M67 N68 E69 I75M67-T71 WeakPolarHBondContact O-CB 3.24Å; M67-T71 PolarHBondContact O-N 3.49Å; M67-T71 PolarHBondContact O-OG1 2.74Å; N68-T71 PolarHBondContact O-N 3.37Å; E69-T71 PolarHBondContact O-N 3.17Å; T71-I75 HydrophobicContact CG2-CD1 3.82Å; T71-I75 WeakPolarHBondContact O-CB 2.88Å; T71-I75 WeakPolarHBondContact O-CD1 3.48Å; T71-I75 WeakPolarHBondContact O-CG1 3.43Å; T71-I75 PolarHBondContact O-N 3.4Å
72V84.6Confident70Confident93 Ų93101 Ų10156%0.56452%0.521SS*.Hα-helixtrans-64.9-46.5175.1172.40000110.2N68 E69 R74 I75 V76N68-V72 WeakPolarHBondContact O-CG2 3.43Å; N68-V72 PolarHBondContact O-N 2.8Å; E69-V72 PolarHBondContact O-N 3.32Å; V72-R74 PolarHBondContact O-N 2.88Å; V72-I75 PolarHBondContact O-N 2.96Å; V72-V76 WeakPolarHBondContact O-CG2 3.5Å; V72-V76 PolarHBondContact O-N 2.9Å
73E81.4Confident71.4Confident102 Ų102103.2 Ų103.248%0.47752%0.522SS..Hα-helixtrans-63.1-42.1179.7-152-143.7130.100111.4E69 V76 R77E69-E73 WeakPolarHBondContact O-CB 3.3Å; E69-E73 PolarHBondContact O-N 3Å; E73-V76 CarbonylContact O-C 3.59Å; E73-V76 PolarHBondContact O-N 2.92Å; E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.3Å; E73-R77 PolarHBondContact O-N 2.77Å; E73-R77 IonicContact OE1-CZ 3.47Å; E73-R77 VanDerWaalsContact OE1-CZ 3.31Å; E73-R77 IonicContact OE1-NE 2.97Å; E73-R77 PolarHBondContact OE1-NE 2.74Å; E73-R77 IonicContact OE1-NH2 3.65Å; E73-R77 PolarHBondContact OE1-NH2 2.73Å; E73-R77 VanDerWaalsContact OE1-NH2 3.12Å; E73-R77 IonicContact OE2-CZ 2.72Å; E73-R77 IonicContact OE2-NE 2.84Å; E73-R77 IonicContact OE2-NH2 3.29Å; E73-R77 PolarHBondContact OE2-NH2 3.02Å
74R79.6Confident72.9Confident161 Ų161103 Ų10361%0.60853%0.532SS*.Hα-helixtrans-67.7-34.4176.2-177.3174.9175.3175-3.2112.9D70 V72 C78D70-R74 WeakPolarHBondContact O-CA 3.49Å; D70-R74 WeakPolarHBondContact O-CB 3.17Å; D70-R74 PolarHBondContact O-N 3.47Å; V72-R74 PolarHBondContact O-N 2.88Å; R74-C78 WeakPolarHBondContact O-CB 3.18Å; R74-C78 PolarHBondContact O-N 2.65Å
75I87Confident74.2Confident91 Ų91100.9 Ų100.947%0.46752%0.52SS..Hα-helixtrans-64.8-45.9169.6-74.1166.2000109.8T71 V72 C78 I79T71-I75 HydrophobicContact CG2-CD1 3.82Å; T71-I75 WeakPolarHBondContact O-CB 2.88Å; T71-I75 WeakPolarHBondContact O-CD1 3.48Å; T71-I75 WeakPolarHBondContact O-CG1 3.43Å; T71-I75 PolarHBondContact O-N 3.4Å; V72-I75 PolarHBondContact O-N 2.96Å; I75-C78 CarbonylContact O-C 3.49Å; I75-C78 PolarHBondContact O-N 2.82Å; I75-I79 HydrophobicContact CG2-CD1 3.67Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CB 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.37Å; I75-I79 PolarHBondContact O-N 3.24Å
76V88.3Confident75.4Confident71 Ų7197.9 Ų97.943%0.4351%0.51SS..Hα-helixtrans-63.1-46.9177.2170.30000111.5V72 E73 C78 I79 I80V72-V76 WeakPolarHBondContact O-CG2 3.5Å; V72-V76 PolarHBondContact O-N 2.9Å; E73-V76 CarbonylContact O-C 3.59Å; E73-V76 PolarHBondContact O-N 2.92Å; V76-C78 VanDerWaalsContact C-N 3.31Å; V76-C78 PolarHBondContact O-N 3.27Å; V76-I79 PolarHBondContact O-N 3.04Å; V76-I80 HydrophobicContact CG1-CD1 3.66Å; V76-I80 HydrophobicContact CG1-CG1 4.46Å; V76-I80 WeakPolarHBondContact O-CG1 3.43Å; V76-I80 PolarHBondContact O-N 3.4Å
77R82Confident76.6Confident87 Ų8797.1 Ų97.133%0.32850%0.502SS..Hα-helixtrans-53.4-48.6171.5-71.1-177.6-131.4127.7-0.8110.5D70 E73 I79 I80 Q81D70-R77 IonicContact OD1-CZ 3.92Å; D70-R77 IonicContact OD1-NH1 2.87Å; D70-R77 PolarHBondContact OD1-NH1 3.4Å; D70-R77 IonicContact OD1-NH2 3.23Å; D70-R77 PolarHBondContact OD1-NH2 2.89Å; E73-R77 WeakPolarHBondContact O-CB 3.44Å; E73-R77 VanDerWaalsContact O-CG 3.3Å; E73-R77 WeakPolarHBondContact O-CG 3.3Å; E73-R77 PolarHBondContact O-N 2.77Å; E73-R77 IonicContact OE1-CZ 3.47Å; E73-R77 VanDerWaalsContact OE1-CZ 3.31Å; E73-R77 IonicContact OE1-NE 2.97Å; E73-R77 PolarHBondContact OE1-NE 2.74Å; E73-R77 IonicContact OE1-NH2 3.65Å; E73-R77 PolarHBondContact OE1-NH2 2.73Å; E73-R77 VanDerWaalsContact OE1-NH2 3.12Å; E73-R77 IonicContact OE2-CZ 2.72Å; E73-R77 IonicContact OE2-NE 2.84Å; E73-R77 IonicContact OE2-NH2 3.29Å; E73-R77 PolarHBondContact OE2-NH2 3.02Å; R77-I79 PolarHBondContact O-N 2.98Å; R77-I80 PolarHBondContact O-N 3.43Å; R77-Q81 WeakPolarHBondContact O-CB 3.48Å; R77-Q81 WeakPolarHBondContact O-CG 3.46Å; R77-Q81 PolarHBondContact O-N 3.2Å
78C77.8Confident77.7Confident85 Ų8594.4 Ų94.457%0.57450%0.495SS*.Hα-helixtrans-68.4-29.6-179.7-167.20000113.7R74 I75 V76 N82R74-C78 WeakPolarHBondContact O-CB 3.18Å; R74-C78 PolarHBondContact O-N 2.65Å; I75-C78 CarbonylContact O-C 3.49Å; I75-C78 PolarHBondContact O-N 2.82Å; V76-C78 VanDerWaalsContact C-N 3.31Å; V76-C78 PolarHBondContact O-N 3.27Å; C78-N82 WeakPolarHBondContact O-CB 3.46Å; C78-N82 PolarHBondContact O-N 3.19Å
79I81.4Confident78.7Confident88 Ų8893.4 Ų93.445%0.45149%0.49SS..Hα-helixtrans-71.9-44.2174.1-73.7167.1000110.4I75 V76 R77 N85I75-I79 HydrophobicContact CG2-CD1 3.67Å; I75-I79 HydrophobicContact CG2-CG1 4.38Å; I75-I79 WeakPolarHBondContact O-CB 3.35Å; I75-I79 VanDerWaalsContact O-CG1 3.27Å; I75-I79 WeakPolarHBondContact O-CG1 3.37Å; I75-I79 PolarHBondContact O-N 3.24Å; V76-I79 PolarHBondContact O-N 3.04Å; R77-I79 PolarHBondContact O-N 2.98Å; I79-N85 VanDerWaalsContact O-CB 3.25Å; I79-N85 WeakPolarHBondContact O-CB 3.16Å; I79-N85 PolarHBondContact O-ND2 2.75Å
80I81.1Confident79.3Confident101 Ų10193.1 Ų93.152%0.51849%0.486SS..Hα-helixtrans-73.8-35.3-178.3-65.3169.1000111.6V76 R77 N82V76-I80 HydrophobicContact CG1-CD1 3.66Å; V76-I80 HydrophobicContact CG1-CG1 4.46Å; V76-I80 WeakPolarHBondContact O-CG1 3.43Å; V76-I80 PolarHBondContact O-N 3.4Å; R77-I80 PolarHBondContact O-N 3.43Å; I80-N82 VanDerWaalsContact C-N 3.34Å
81Q76.8Confident79.3Confident154 Ų15497.8 Ų97.872%0.7251%0.506SS*.SBendtrans-84.6-3179-66.6173.6-13.600113.9R77 E83R77-Q81 WeakPolarHBondContact O-CB 3.48Å; R77-Q81 WeakPolarHBondContact O-CG 3.46Å; R77-Q81 PolarHBondContact O-N 3.2Å; Q81-E83 PolarHBondContact O-N 2.89Å
82N81Confident78.8Confident76 Ų76101.4 Ų101.441%0.40652%0.52SS..  trans-72.6115.6171.4179.5-21.6000108.9C78 I80 A84 N85 A86C78-N82 WeakPolarHBondContact O-CB 3.46Å; C78-N82 PolarHBondContact O-N 3.19Å; I80-N82 VanDerWaalsContact C-N 3.34Å; N82-A84 VanDerWaalsContact C-N 3.28Å; N82-A84 PolarHBondContact O-N 2.89Å; N82-A84 PolarHBondContact OD1-N 3.42Å; N82-A84 VanDerWaalsContact OD1-N 3.16Å; N82-N85 HydrophobicContact CB-CB 4.13Å; N82-N85 CarbonylContact O-C 3.59Å; N82-N85 WeakPolarHBondContact O-CA 3.48Å; N82-N85 WeakPolarHBondContact O-CB 3.36Å; N82-N85 PolarHBondContact O-N 2.9Å; N82-A86 PolarHBondContact O-N 3.2Å
83E79.1Confident78Confident155 Ų155103 Ų10372%0.72453%0.525SS*.Hα-helixtrans-48.8-44.8-176.8-167168-163.900112.9Q81 N85 A86 E87Q81-E83 PolarHBondContact O-N 2.89Å; E83-N85 PolarHBondContact O-N 3.26Å; E83-A86 PolarHBondContact O-N 2.9Å; E83-E87 PolarHBondContact O-N 2.83Å
84A77.7Confident77Confident64 Ų64100.4 Ų100.453%0.52953%0.525SS..Hα-helixtrans-68.2-31.4178.300000113.5N82 A88N82-A84 VanDerWaalsContact C-N 3.28Å; N82-A84 PolarHBondContact O-N 2.89Å; N82-A84 PolarHBondContact OD1-N 3.42Å; N82-A84 VanDerWaalsContact OD1-N 3.16Å; A84-A88 WeakPolarHBondContact O-CB 3.27Å; A84-A88 PolarHBondContact O-N 2.97Å
85N76.8Confident75.7Confident59 Ų59100.6 Ų100.632%0.31654%0.538SS..Hα-helixtrans-75.8-36.2172.9-67.2-12.7000111.1I79 N82 E83 A88 L89I79-N85 VanDerWaalsContact O-CB 3.25Å; I79-N85 WeakPolarHBondContact O-CB 3.16Å; I79-N85 PolarHBondContact O-ND2 2.75Å; N82-N85 HydrophobicContact CB-CB 4.13Å; N82-N85 CarbonylContact O-C 3.59Å; N82-N85 WeakPolarHBondContact O-CA 3.48Å; N82-N85 WeakPolarHBondContact O-CB 3.36Å; N82-N85 PolarHBondContact O-N 2.9Å; E83-N85 PolarHBondContact O-N 3.26Å; N85-A88 PolarHBondContact O-N 3.15Å; N85-L89 VanDerWaalsContact O-CB 3.3Å; N85-L89 WeakPolarHBondContact O-CB 3.49Å; N85-L89 WeakPolarHBondContact O-CD1 3.22Å; N85-L89 VanDerWaalsContact O-CG 3.25Å; N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 2.95Å
86A77.6Confident74.2Confident44 Ų44101.6 Ų101.636%0.36455%0.553SS.*Hα-helixtrans-66.9-39.5178.900000111.6N82 E83 K90N82-A86 PolarHBondContact O-N 3.2Å; E83-A86 PolarHBondContact O-N 2.9Å; A86-K90 VanDerWaalsContact O-CB 3.26Å; A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 3.42Å
87E77.3Confident72.3Confident128 Ų128107.4 Ų107.460%0.59858%0.575SS**Hα-helixtrans-66.4-45.1171.7-68.3-162.4130.500112E83 L89 K90 E91E83-E87 PolarHBondContact O-N 2.83Å; E87-L89 PolarHBondContact O-N 3.36Å; E87-K90 WeakPolarHBondContact O-CB 3.2Å; E87-K90 PolarHBondContact O-N 3.2Å; E87-E91 PolarHBondContact O-N 3.44Å
88A76.9Confident70.5Confident42 Ų42106.8 Ų106.835%0.34760%0.596SS.*Hα-helixtrans-64.2-36.4176.600000113.3A84 N85 E91 M92A84-A88 WeakPolarHBondContact O-CB 3.27Å; A84-A88 PolarHBondContact O-N 2.97Å; N85-A88 PolarHBondContact O-N 3.15Å; A88-E91 PolarHBondContact O-N 3.3Å; A88-M92 WeakPolarHBondContact O-CG 3.31Å; A88-M92 PolarHBondContact O-N 3.45Å
89L76.8Confident68.6Low74 Ų74112.4 Ų112.439%0.38761%0.614SS.*Hα-helixtrans-66.5-40.6172.5-78.2163.8000111.4N85 E87 E91 M92 L93N85-L89 VanDerWaalsContact O-CB 3.3Å; N85-L89 WeakPolarHBondContact O-CB 3.49Å; N85-L89 WeakPolarHBondContact O-CD1 3.22Å; N85-L89 VanDerWaalsContact O-CG 3.25Å; N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 2.95Å; E87-L89 PolarHBondContact O-N 3.36Å; L89-E91 VanDerWaalsContact C-N 3.33Å; L89-M92 HydrophobicContact CD2-CE 3.89Å; L89-M92 HydrophobicContact CG-CE 4.42Å; L89-M92 PolarHBondContact O-N 2.75Å; L89-L93 VanDerWaalsContact O-CD1 3.27Å; L89-L93 WeakPolarHBondContact O-CD1 3.36Å; L89-L93 PolarHBondContact O-N 3.12Å
90K72.4Confident66.5Low156 Ų156110.8 Ų110.868%0.67862%0.619SS**Hα-helixtrans-64.4-36.3175.9-179.9-170.6173.3-164.90112.1A86 E87 G94A86-K90 VanDerWaalsContact O-CB 3.26Å; A86-K90 WeakPolarHBondContact O-CB 3.38Å; A86-K90 PolarHBondContact O-N 3.42Å; E87-K90 WeakPolarHBondContact O-CB 3.2Å; E87-K90 PolarHBondContact O-N 3.2Å; K90-G94 PolarHBondContact O-N 3.44Å; K90-G94 VanDerWaalsContact O-N 3.15Å
91E70.8Confident64.7Low155 Ų155113 Ų11372%0.72464%0.637SS**Hα-helixtrans-65.1-51172.4-170.8178178.900110.9E87 A88 L89 L93 G94E87-E91 PolarHBondContact O-N 3.44Å; A88-E91 PolarHBondContact O-N 3.3Å; L89-E91 VanDerWaalsContact C-N 3.33Å; E91-L93 VanDerWaalsContact C-N 3.26Å; E91-L93 PolarHBondContact O-N 2.72Å; E91-G94 PolarHBondContact O-N 3.23Å; E91-G94 VanDerWaalsContact O-N 3.09Å
92M67.4Low63Low144 Ų144112.7 Ų112.771%0.70965%0.646SS**Hα-helixtrans-64.3-23.2180-71.3-172-60.700115A88 L89A88-M92 WeakPolarHBondContact O-CG 3.31Å; A88-M92 PolarHBondContact O-N 3.45Å; L89-M92 HydrophobicContact CD2-CE 3.89Å; L89-M92 HydrophobicContact CG-CE 4.42Å; L89-M92 PolarHBondContact O-N 2.75Å
93L67.8Low60.8Low127 Ų127117.4 Ų117.467%0.66567%0.665SS**THydrogen-bonded Turntrans-100.2-0176.5-82.976000113.1L89 E91L89-L93 VanDerWaalsContact O-CD1 3.27Å; L89-L93 WeakPolarHBondContact O-CD1 3.36Å; L89-L93 PolarHBondContact O-N 3.12Å; E91-L93 VanDerWaalsContact C-N 3.26Å; E91-L93 PolarHBondContact O-N 2.72Å
94G61.4Low59.3Low46 Ų46118.6 Ų118.647%0.47468%0.676SS.*THydrogen-bonded Turntrans-74.3-36.2-168.800000115.9K90 E91K90-G94 PolarHBondContact O-N 3.44Å; K90-G94 VanDerWaalsContact O-N 3.15Å; E91-G94 PolarHBondContact O-N 3.23Å; E91-G94 VanDerWaalsContact O-N 3.09Å
95D51.8Low57.4Low165 Ų165121 Ų12188%0.88269%0.689SS**  trans-111.545.1-166.2-66.1-50.7000113.5
96S55.3Low55.7Low112 Ų112123.5 Ų123.578%0.78371%0.711SS**  trans-104.324.5-176.862.60000115.8
97E49.4Very low54Low193 Ų193128.5 Ų128.590%0.90274%0.736SS**SBendtrans-123.458174.960.1179109.500113.9
98G43Very low52Low74 Ų74129.7 Ų129.776%0.76375%0.747SS**  trans-160.5136.6177.100000116.2
99E37.7Very low50Low203 Ų203130.6 Ų130.695%0.94975%0.754SS**  trans-18.4140.9152.2-173.3-177145.100116.5
100G38.9Very low48.2Very low54 Ų54133.4 Ų133.456%0.55778%0.775SS**  cis166.1155.1300000111.4
101T43.1Very low46.3Very low148 Ų148131.8 Ų131.891%0.90878%0.783SS**  trans18.1100.5165.955.50000119.4
102V41.5Very low44.4Very low147 Ų147129.5 Ų129.589%0.89178%0.784SS**  trans-124.9135.1153-175.60000109.8
103Q34.3Very low43.5Very low176 Ų176130.3 Ų130.382%0.82279%0.791SS**  trans-78.5159.2-160.1-60.4-17482.200115
104L48.3Very low42.4Very low180 Ų180132.8 Ų132.894%0.94280%0.799SS**  trans-57.6130.7152.3-68.3162.6000109.9
105S36.1Very low41.3Very low115 Ų115137.4 Ų137.480%0.80481%0.813SS**  trans-141123.7162.651.80000111
106S42Very low41.1Very low111 Ų111133.3 Ų133.378%0.77681%0.809SS**  trans-80.4139.8177.4-179.90000110.5
107V41.1Very low40.7Very low148 Ų148133.5 Ų133.590%0.89781%0.806SS**  trans-131120.3156.1-77.20000109.1
108D35.9Very low40.6Very low154 Ų154130.1 Ų130.182%0.82480%0.801SS**  trans-103.3178.6175.7179.936.5000109.9
109A35.3Very low41.2Very low61 Ų61132.3 Ų132.350%0.50480%0.804SS.*  trans88.384.5151.800000119.7
110T39.3Very low42.1Very low133 Ų133127.6 Ų127.682%0.81678%0.782SS**  81.1156126.170.40000122.3
111S30.8Very low42.7Very low121 Ų121133.1 Ų133.185%0.84679%0.793SS**  trans72.4146.6-179.782.40000115.9
112S32.8Very low43.4Very low107 Ų107128.5 Ų128.575%0.74876%0.761SS**  cis-125.6148.14.5-169.10000113.1Q114S112-Q114 PolarHBondContact O-N 2.75Å
113L46.8Very low44.3Very low162 Ų162128.4 Ų128.485%0.84876%0.761SS**  trans-77.6106.1173.8177.284.7000110
114Q44.8Very low45.2Very low178 Ų178126 Ų12683%0.83276%0.758SS**  trans-165.8134.9153.2-111.2144111.800115.3S112S112-Q114 PolarHBondContact O-N 2.75Å
115D38.8Very low45.5Very low144 Ų144120.8 Ų120.877%0.7773%0.729SS**  trans53.577.4150-144.137.6000121T117D115-T117 PolarHBondContact O-N 3.21Å
116G47.4Very low46.3Very low79 Ų79123.4 Ų123.481%0.81473%0.733SS**  7023.1112.700000119.5
117T47.2Very low46.8Very low115 Ų115122.1 Ų122.171%0.70674%0.737SS**  trans-130.1132.2172.941.80000113.2D115D115-T117 PolarHBondContact O-N 3.21Å
118P47Very low47.3Very low123 Ų123118.4 Ų118.480%0.79972%0.718SS**  trans-66.9133.2172-19.632.3000111.5H120P118-H120 VanDerWaalsContact C-N 3.3Å; P118-H120 PolarHBondContact O-N 2.89Å
119S55.9Low48.4Very low120 Ų120116.2 Ų116.284%0.83972%0.721SS**  trans-70.580.6172.840.90000111.1H121S119-H121 PolarHBondContact O-N 2.82Å
120H57.4Low49.5Very low103 Ų103116 Ų11648%0.47772%0.719SS.*  trans-65.9121.6175.2117.2-71.1000109.9P118 H122 C135P118-H120 VanDerWaalsContact C-N 3.3Å; P118-H120 PolarHBondContact O-N 2.89Å; H120-H122 AromaticContact CD2-ND1 3.79Å; H120-H122 AromaticContact CE1-CE1 3.3Å; H120-H122 PolarHBondContact CE1-CE1 2.81Å; H120-H122 AromaticContact CE1-ND1 3.15Å; H120-H122 PolarHBondContact CE1-ND1 2.84Å; H120-H122 AromaticContact ND1-ND1 3.99Å; H120-H122 AromaticContact NE2-CE1 3.62Å; H120-H122 AromaticContact NE2-ND1 2.97Å; H120-H122 PolarHBondContact NE2-ND1 3.13Å; H120-C135 PolarHBondContact CE1-SG 2.92Å; H120-C135 PolarHBondContact NE2-SG 3.19Å; H120-C135 VanDerWaalsContact NE2-SG 3.44Å
121H51.6Low50.5Low171 Ų171114.6 Ų114.679%0.79271%0.712SS**  trans-113141.3-179.3-138.121.8000108.8S119S119-H121 PolarHBondContact O-N 2.82Å
122H57.1Low52.1Low51 Ų51110.4 Ų110.424%0.23668%0.682CS.*  trans-139.1138.7-179.240.7-106.3000109.1H120 V124 H125H120-H122 AromaticContact CD2-ND1 3.79Å; H120-H122 AromaticContact CE1-CE1 3.3Å; H120-H122 PolarHBondContact CE1-CE1 2.81Å; H120-H122 AromaticContact CE1-ND1 3.15Å; H120-H122 PolarHBondContact CE1-ND1 2.84Å; H120-H122 AromaticContact ND1-ND1 3.99Å; H120-H122 AromaticContact NE2-CE1 3.62Å; H120-H122 AromaticContact NE2-ND1 2.97Å; H120-H122 PolarHBondContact NE2-ND1 3.13Å; H122-V124 PolarHBondContact O-N 3.23Å; H122-H125 AromaticContact CD2-CD2 3.35Å; H122-H125 PolarHBondContact CD2-CD2 3.15Å; H122-H125 AromaticContact CD2-CG 3.71Å; H122-H125 WeakPolarHBondContact NE2-CB 3.41Å; H122-H125 AromaticContact NE2-CD2 3.23Å; H122-H125 PolarHBondContact NE2-CD2 3.32Å; H122-H125 AromaticContact NE2-CG 3.34Å; H122-H125 VanDerWaalsContact NE2-CG 3.34Å; H122-H125 PolarHBondContact O-N 3.35Å
123T59.6Low53.4Low145 Ų145111.8 Ų111.889%0.8968%0.68SS**THydrogen-bonded Turntrans-59.8-16.7-168.5-31.60000114.5
124V54.6Low53.8Low126 Ų126112 Ų11276%0.76468%0.677SS**THydrogen-bonded Turntrans-93.20.4-176.5-77.10000115.5H122H122-V124 PolarHBondContact O-N 3.23Å
125H55.1Low54.6Low70 Ų70106.2 Ų106.232%0.32466%0.655SS.*  trans-128.672.6172.6-69.6-118.8000111.8H122 G127H122-H125 AromaticContact CD2-CD2 3.35Å; H122-H125 PolarHBondContact CD2-CD2 3.15Å; H122-H125 AromaticContact CD2-CG 3.71Å; H122-H125 WeakPolarHBondContact NE2-CB 3.41Å; H122-H125 AromaticContact NE2-CD2 3.23Å; H122-H125 PolarHBondContact NE2-CD2 3.32Å; H122-H125 AromaticContact NE2-CG 3.34Å; H122-H125 VanDerWaalsContact NE2-CG 3.34Å; H122-H125 PolarHBondContact O-N 3.35Å; H125-G127 PolarHBondContact O-N 3.1Å; H125-G127 VanDerWaalsContact O-N 3.13Å
126L52.9Low55.8Low169 Ų169103 Ų10389%0.88564%0.644SS**SBendtrans-68104.8161.3-124.767.4000108.7
127G52Low56.2Low84 Ų84108.3 Ų108.387%0.86664%0.639SS**SBendtrans89.57.916500000118.9H125H125-G127 PolarHBondContact O-N 3.1Å; H125-G127 VanDerWaalsContact O-N 3.13Å
128S51.7Low56.5Low71 Ų71107.2 Ų107.250%0.49764%0.636SS.*  trans-103.4119.3177.1-170.30000113A130S128-A130 PolarHBondContact O-N 3.25Å; S128-A130 VanDerWaalsContact O-N 3.1Å
129A58Low56.7Low107 Ų107110.1 Ų110.188%0.88464%0.636SS**  trans-75.213.7177.600000114.7P131A129-P131 WeakPolarHBondContact O-CD 3.25Å
130A57.8Low56.8Low56 Ų56113.6 Ų113.646%0.46363%0.631SS.*PPolyproline II helixtrans-79.3123.5-179.800000111.7S128 C132S128-A130 PolarHBondContact O-N 3.25Å; S128-A130 VanDerWaalsContact O-N 3.1Å; A130-C132 PolarHBondContact O-N 3.01Å
131P60.5Low56.5Low105 Ų105113.9 Ų113.968%0.68264%0.642SS**PPolyproline II helixtrans-63.1125.1178.5-23.734.4000112.6A129 I133A129-P131 WeakPolarHBondContact O-CD 3.25Å; P131-I133 PolarHBondContact O-N 2.78Å
132C64.1Low56.5Low32 Ų32112 Ų11222%0.21665%0.645CS.*PPolyproline II helixtrans-53.6129.8179.3-179.20000112A130 H134 C135 S136A130-C132 PolarHBondContact O-N 3.01Å; C132-H134 PolarHBondContact O-N 2.88Å; C132-H134 VanDerWaalsContact O-N 3.15Å; C132-C135 HydrophobicContact CB-CB 4.28Å; C132-C135 PolarHBondContact O-N 2.86Å; C132-S136 PolarHBondContact O-N 3.29Å; C132-S136 PolarHBondContact O-OG 2.75Å
133I60.9Low56.2Low136 Ų136117.5 Ų117.570%0.69768%0.675SS**Hα-helixtrans-58.8-28.6-176.3-65176.1000112.6P131P131-I133 PolarHBondContact O-N 2.78Å
134H56.1Low55.7Low168 Ų168117.2 Ų117.278%0.77867%0.673SS**Hα-helixtrans-75.8-33.1175.3-77.8-96.9000113C132C132-H134 PolarHBondContact O-N 2.88Å; C132-H134 VanDerWaalsContact O-N 3.15Å
135C61.6Low55.4Low55 Ų55123 Ų12337%0.37268%0.681SS.*Hα-helixtrans-86-40.6-175-57.90000112.2H120 C132 R137 S138H120-C135 PolarHBondContact CE1-SG 2.92Å; H120-C135 PolarHBondContact NE2-SG 3.19Å; H120-C135 VanDerWaalsContact NE2-SG 3.44Å; C132-C135 HydrophobicContact CB-CB 4.28Å; C132-C135 PolarHBondContact O-N 2.86Å; C135-R137 PolarHBondContact O-N 3.39Å; C135-S138 WeakPolarHBondContact O-CB 3.46Å; C135-S138 PolarHBondContact O-N 3.24Å; C135-S138 PolarHBondContact O-OG 3.46Å
136S62.8Low55Low77 Ų77128.4 Ų128.454%0.53871%0.707SS.*Hα-helixtrans-64-21.9-178.959.70000113.8C132 S138C132-S136 PolarHBondContact O-N 3.29Å; C132-S136 PolarHBondContact O-OG 2.75Å; S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 2.92Å
137R57Low55.1Low191 Ų191123.8 Ų123.872%0.72170%0.7SS**THydrogen-bonded Turntrans-80.3-2.1-176.2-134.3172.3-167.6-102.86.1115.1C135C135-R137 PolarHBondContact O-N 3.39Å
138S52.7Low54.8Low91 Ų91131.4 Ų131.464%0.63670%0.702SS**THydrogen-bonded Turntrans-78.3-26.8-172.355.90000115.2C135 S136 R140C135-S138 WeakPolarHBondContact O-CB 3.46Å; C135-S138 PolarHBondContact O-N 3.24Å; C135-S138 PolarHBondContact O-OG 3.46Å; S136-S138 VanDerWaalsContact C-N 3.29Å; S136-S138 PolarHBondContact O-N 2.92Å; S138-R140 VanDerWaalsContact C-N 3.34Å; S138-R140 PolarHBondContact O-N 3.37Å
139K52.1Low54.5Low184 Ų184132.9 Ų132.980%0.871%0.713SS**  trans-8268.2-176.8-68.5-170.8176.4-175.50113.1
140R56.2Low54.3Low193 Ų193137.9 Ų137.973%0.72871%0.714SS**SBendtrans-136.2136163.2-69.8-172.4-178.3161.11.4110.8S138S138-R140 VanDerWaalsContact C-N 3.34Å; S138-R140 PolarHBondContact O-N 3.37Å
141P52.5Low53.8Low109 Ų109142.3 Ų142.371%0.70873%0.726SS**  trans-58.8152.6173.6-23.834.3000112.1L143P141-L143 PolarHBondContact O-N 2.94Å
142P50.1Low53.2Low133 Ų133140.4 Ų140.486%0.86473%0.725SS**  trans-67.594.7178.4-1832.2000111.4V144P142-V144 PolarHBondContact O-N 3.18Å
143L51.8Low52.5Low166 Ų166147.8 Ų147.887%0.86975%0.753SS**  trans-63.7135.1171.1-70.1177.9000109.7P141P141-L143 PolarHBondContact O-N 2.94Å
144V48.5Very low51.9Low139 Ų139145.3 Ų145.384%0.84275%0.748SS**  trans-54.2142.8-172.8177.10000111.2P142 Q146P142-V144 PolarHBondContact O-N 3.18Å; V144-Q146 VanDerWaalsContact C-N 3.28Å; V144-Q146 PolarHBondContact O-N 2.87Å
145R49.5Very low52Low247 Ų247146.9 Ų146.993%0.93275%0.747SS**  trans-63.774.7-172.1-171.2-178.1-179.4146.6-2.2113.3G147R145-G147 PolarHBondContact O-N 3.3Å
146Q46.3Very low51.6Low184 Ų184147.4 Ų147.486%0.8675%0.75SS**  trans-68.798170.1-172.9175.6-0.800109.3V144 R148V144-Q146 VanDerWaalsContact C-N 3.28Å; V144-Q146 PolarHBondContact O-N 2.87Å; Q146-R148 PolarHBondContact O-N 3.1Å
147G55.2Low51.4Low72 Ų72152.8 Ų152.874%0.74276%0.759SS**  trans-62130177.100000111.2R145R145-G147 PolarHBondContact O-N 3.3Å
148R44.8Very low51.5Low243 Ų243150 Ų15092%0.91776%0.763SS**  trans-123.6113.9179.3-165.1171.6-172.2152.33.8111Q146Q146-R148 PolarHBondContact O-N 3.1Å
149S46.7Very low52.1Low103 Ų103146.9 Ų146.972%0.7275%0.745SS**  trans44121.5168.1-116.20000119.8E151S149-E151 PolarHBondContact O-N 2.89Å
150K52.5Low53.2Low211 Ų211141 Ų14192%0.91772%0.72SS**SBend-58.7109.1125.3-72.5178.1176.8177.60107.1
151E48Very low54.3Low150 Ų150136 Ų13670%0.70171%0.711SS**  177.9125.8127.6-173.748.6-95.700106.6S149 K153S149-E151 PolarHBondContact O-N 2.89Å; E151-K153 WeakPolarHBondContact OE1-CB 3.25Å; E151-K153 PolarHBondContact OE1-N 2.86Å
152G47Very low55.6Low65 Ų65133.1 Ų133.167%0.6769%0.692SS**  trans-177.924.8-165.500000111S154G152-S154 PolarHBondContact O-N 3.48Å
153K49.2Very low57.3Low186 Ų186131.2 Ų131.281%0.80968%0.678SS**  trans-6978.5175.4-168.4169.4-175.61740109E151 R155E151-K153 WeakPolarHBondContact OE1-CB 3.25Å; E151-K153 PolarHBondContact OE1-N 2.86Å; K153-R155 PolarHBondContact O-N 2.81Å
154S49Very low58.3Low84 Ų84129.1 Ų129.159%0.58766%0.662SS**  trans-60.384.7164.643.40000108.3G152 P156G152-S154 PolarHBondContact O-N 3.48Å; S154-P156 VanDerWaalsContact O-CD 3.31Å; S154-P156 WeakPolarHBondContact O-CD 3.27Å; S154-P156 VanDerWaalsContact O-N 3.1Å
155R57.6Low60.1Low202 Ų202126.2 Ų126.276%0.76265%0.648SS**PPolyproline II helixtrans-51116.4168.6-177177.4-171.7-110.63.9106K153 R157K153-R155 PolarHBondContact O-N 2.81Å; R155-R157 PolarHBondContact O-N 3.39Å
156P53.6Low61.6Low66 Ų66118.6 Ų118.643%0.42963%0.628SS.*PPolyproline II helixtrans-51.8139.2177.3-25.133.9000108.9S154 T158 E160S154-P156 VanDerWaalsContact O-CD 3.31Å; S154-P156 WeakPolarHBondContact O-CD 3.27Å; S154-P156 VanDerWaalsContact O-N 3.1Å; P156-T158 PolarHBondContact O-N 3.3Å; P156-E160 HydrophobicContact CB-CB 4.37Å
157R60.1Low63.5Low190 Ų190114 Ų11472%0.71763%0.63SS**PPolyproline II helixtrans-61.2142.3169.7-54-64.6-170.7157.62.3107.2R155 G159 E160R155-R157 PolarHBondContact O-N 3.39Å; R157-G159 PolarHBondContact O-N 2.86Å; R157-E160 HydrophobicContact CB-CG 3.89Å; R157-E160 WeakPolarHBondContact CB-OE1 3.44Å; R157-E160 VanDerWaalsContact CG-CD 3.47Å; R157-E160 HydrophobicContact CG-CG 4.47Å; R157-E160 WeakPolarHBondContact CG-OE1 3.14Å; R157-E160 PolarHBondContact N-OE2 2.91Å; R157-E160 WeakPolarHBondContact O-CB 3.48Å; R157-E160 PolarHBondContact O-N 3.2Å
158T58.4Low64.9Low132 Ų132122.8 Ų122.881%0.8164%0.641SS**THydrogen-bonded Turntrans-62.9100.2-177.3-48.90000109.5P156P156-T158 PolarHBondContact O-N 3.3Å
159G65.9Low66.3Low26 Ų26117.6 Ų117.627%0.26863%0.626SS.*THydrogen-bonded Turntrans125.4-7.2-170.200000115.4R157 E175R157-G159 PolarHBondContact O-N 2.86Å; G159-E175 PolarHBondContact O-N 3.2Å; G159-E175 VanDerWaalsContact O-N 3.1Å
160E74.8Confident68.1Low59 Ų59118.4 Ų118.428%0.27661%0.613SS.*EExtended strand (participates in β ladder)trans-93.1101.1175.6-69.1173.517200111.7P156 R157 I174P156-E160 HydrophobicContact CB-CB 4.37Å; R157-E160 HydrophobicContact CB-CG 3.89Å; R157-E160 WeakPolarHBondContact CB-OE1 3.44Å; R157-E160 VanDerWaalsContact CG-CD 3.47Å; R157-E160 HydrophobicContact CG-CG 4.47Å; R157-E160 WeakPolarHBondContact CG-OE1 3.14Å; R157-E160 PolarHBondContact N-OE2 2.91Å; R157-E160 WeakPolarHBondContact O-CB 3.48Å; R157-E160 PolarHBondContact O-N 3.2Å; E160-I174 HydrophobicContact CG-CD1 4.48Å; E160-I174 HydrophobicContact CG-CG1 4.2Å; E160-I174 HydrophobicContact CG-CG2 4.34Å
161T79.8Confident69.7Low88 Ų88111.1 Ų111.154%0.5459%0.586SS.*EExtended strand (participates in β ladder)trans-90.5119.2174.1-58.70000109.5V163 T172 H173T161-V163 HydrophobicContact CG2-CG1 4.29Å; T161-V163 PolarHBondContact O-N 3.17Å; T161-T172 CarbonylContact O-C 3.52Å; T161-T172 WeakPolarHBondContact O-CA 3.43Å; T161-H173 PolarHBondContact N-O 2.98Å; T161-H173 PolarHBondContact O-N 3.05Å
162T79.9Confident71.6Confident50 Ų50106.7 Ų106.731%0.30757%0.569SS.*EExtended strand (participates in β ladder)trans-75.3107.2171.6-54.30000108.6F164 R170 V171T162-F164 WeakPolarHBondContact CG2-O 3.3Å; T162-R170 HydrophobicContact CG2-CB 4.44Å; T162-R170 PolarHBondContact OG1-NH2 3.24Å; T162-V171 CarbonylContact C-O 3.59Å; T162-V171 WeakPolarHBondContact CA-O 3.41Å
163V85.1Confident73.2Confident92 Ų92109 Ų10956%0.55856%0.562SS**EExtended strand (participates in β ladder)trans-88-21-178.2-65.40000112.6T161 V171 H173T161-V163 HydrophobicContact CG2-CG1 4.29Å; T161-V163 PolarHBondContact O-N 3.17Å; V163-V171 HydrophobicContact CG2-CB 4.07Å; V163-V171 HydrophobicContact CG2-CG1 3.76Å; V163-V171 WeakPolarHBondContact CG2-O 3.45Å; V163-V171 PolarHBondContact N-O 2.84Å; V163-H173 HydrophobicContact CG1-CB 3.81Å
164F73.6Confident74.6Confident122 Ų122105 Ų10554%0.53555%0.549SS..EExtended strand (participates in β ladder)trans-153.4146175.1-168.7-113.6000111.4T162 V166 R170 V171T162-F164 WeakPolarHBondContact CG2-O 3.3Å; F164-V166 HydrophobicContact CD1-CG2 4.35Å; F164-V166 HydrophobicContact CE1-CB 4.41Å; F164-V166 HydrophobicContact CE1-CG2 3.47Å; F164-V166 VanDerWaalsContact CE1-CG2 3.47Å; F164-V166 HydrophobicContact CE2-CG2 4.27Å; F164-V166 HydrophobicContact CZ-CG2 3.42Å; F164-V166 VanDerWaalsContact CZ-CG2 3.42Å; F164-R170 WeakPolarHBondContact O-CA 3.4Å; F164-V171 HydrophobicContact CB-CB 4.14Å; F164-V171 HydrophobicContact CB-CG2 4.21Å; F164-V171 HydrophobicContact CD1-CG2 4.48Å; F164-V171 PolarHBondContact N-O 3.43Å; F164-V171 PolarHBondContact O-N 3.21Å
165S85.7Confident75.2Confident78 Ų78105.8 Ų105.855%0.54554%0.543SS..EExtended strand (participates in β ladder)trans-153.5127.4174.658.70000112.8F169S165-F169 CarbonylContact C-O 3.55Å; S165-F169 VanDerWaalsContact CA-O 3.3Å; S165-F169 WeakPolarHBondContact CA-O 3.26Å
166V80.8Confident75.2Confident87 Ų87103 Ų10353%0.52754%0.537SS..EExtended strand (participates in β ladder)trans-133.8111.4176.7174.50000109.1F164 R168 F169F164-V166 HydrophobicContact CD1-CG2 4.35Å; F164-V166 HydrophobicContact CE1-CB 4.41Å; F164-V166 HydrophobicContact CE1-CG2 3.47Å; F164-V166 VanDerWaalsContact CE1-CG2 3.47Å; F164-V166 HydrophobicContact CE2-CG2 4.27Å; F164-V166 HydrophobicContact CZ-CG2 3.42Å; F164-V166 VanDerWaalsContact CZ-CG2 3.42Å; V166-R168 PolarHBondContact O-N 3.04Å; V166-F169 PolarHBondContact N-O 3.47Å; V166-F169 PolarHBondContact O-N 3.42Å
167G85.5Confident75Confident87 Ų87109.2 Ų109.290%0.89755%0.551SS**THydrogen-bonded Turntrans58.1-107.7-178.300000112.4
168R84.9Confident74.3Confident257 Ų257109 Ų10997%0.9755%0.552SS**THydrogen-bonded Turntrans-96.2-7176.968.4178.7177.3-171.7-1.6114.5V166V166-R168 PolarHBondContact O-N 3.04Å
169F73.5Confident73.5Confident135 Ų135106.1 Ų106.159%0.59255%0.549SS*.EExtended strand (participates in β ladder)trans-90.6133.2178.1-170.7-107.1000109.8S165 V166 V171S165-F169 CarbonylContact C-O 3.55Å; S165-F169 VanDerWaalsContact CA-O 3.3Å; S165-F169 WeakPolarHBondContact CA-O 3.26Å; V166-F169 PolarHBondContact N-O 3.47Å; V166-F169 PolarHBondContact O-N 3.42Å; F169-V171 HydrophobicContact CD1-CG2 4.26Å; F169-V171 HydrophobicContact CE1-CG2 3.5Å; F169-V171 VanDerWaalsContact CE1-CG2 3.5Å; F169-V171 HydrophobicContact CZ-CG2 4.06Å
170R85.9Confident72.2Confident119 Ų119113 Ų11345%0.44958%0.578SS.*EExtended strand (participates in β ladder)trans-139.5129.3179.5-67.7179.863.4-163.6-2.1109.1T162 F164T162-R170 HydrophobicContact CG2-CB 4.44Å; T162-R170 PolarHBondContact OG1-NH2 3.24Å; F164-R170 WeakPolarHBondContact O-CA 3.4Å
171V85.9Confident70.3Confident59 Ų59118.2 Ų118.236%0.35860%0.602SS.*EExtended strand (participates in β ladder)trans-103115.1171.9-173.60000107.6T162 V163 F164 F169T162-V171 CarbonylContact C-O 3.59Å; T162-V171 WeakPolarHBondContact CA-O 3.41Å; V163-V171 HydrophobicContact CG2-CB 4.07Å; V163-V171 HydrophobicContact CG2-CG1 3.76Å; V163-V171 WeakPolarHBondContact CG2-O 3.45Å; V163-V171 PolarHBondContact N-O 2.84Å; F164-V171 HydrophobicContact CB-CB 4.14Å; F164-V171 HydrophobicContact CB-CG2 4.21Å; F164-V171 HydrophobicContact CD1-CG2 4.48Å; F164-V171 PolarHBondContact N-O 3.43Å; F164-V171 PolarHBondContact O-N 3.21Å; F169-V171 HydrophobicContact CD1-CG2 4.26Å; F169-V171 HydrophobicContact CE1-CG2 3.5Å; F169-V171 VanDerWaalsContact CE1-CG2 3.5Å; F169-V171 HydrophobicContact CZ-CG2 4.06Å
172T87.9Confident68.4Low56 Ų56123.2 Ų123.234%0.34462%0.62SS.*EExtended strand (participates in β ladder)trans-108.5116.8176.944.80000110.1T161T161-T172 CarbonylContact O-C 3.52Å; T161-T172 WeakPolarHBondContact O-CA 3.43Å
173H81Confident66.4Low115 Ų115126.3 Ų126.353%0.53263%0.63SS.*EExtended strand (participates in β ladder)trans-75.3121.7164.4-176.6-93.1000108.5T161 V163T161-H173 PolarHBondContact N-O 2.98Å; T161-H173 PolarHBondContact O-N 3.05Å; V163-H173 HydrophobicContact CG1-CB 3.81Å
174I76.9Confident63.9Low102 Ų102130.9 Ų130.952%0.52364%0.638SS.*EExtended strand (participates in β ladder)trans-102114.6178.3-46.2-171000107.6E160 K176E160-I174 HydrophobicContact CG-CD1 4.48Å; E160-I174 HydrophobicContact CG-CG1 4.2Å; E160-I174 HydrophobicContact CG-CG2 4.34Å; I174-K176 PolarHBondContact O-N 3.38Å
175E62.9Low62.2Low99 Ų99132.3 Ų132.346%0.46365%0.651SS.*  trans-65.4106.3176-176.2-171.4-141.900110.1G159 R177G159-E175 PolarHBondContact O-N 3.2Å; G159-E175 VanDerWaalsContact O-N 3.1Å; E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 HydrophobicContact CG-CG 4.24Å; E175-R177 PolarHBondContact O-N 3.15Å; E175-R177 IonicContact OE2-CZ 2.68Å; E175-R177 VanDerWaalsContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NE 2.7Å; E175-R177 PolarHBondContact OE2-NE 2.93Å; E175-R177 IonicContact OE2-NH2 3.27Å; E175-R177 PolarHBondContact OE2-NH2 3.11Å
176K56.3Low59.6Low145 Ų145132.4 Ų132.463%0.6366%0.664SS**  trans-7389.3174.2-174.4177.8170.9-163.20109.7I174 Y178I174-K176 PolarHBondContact O-N 3.38Å; K176-Y178 HydrophobicContact CB-CE2 4.35Å; K176-Y178 HydrophobicContact CD-CE1 4.15Å; K176-Y178 HydrophobicContact CD-CE2 4.09Å; K176-Y178 WeakPolarHBondContact CD-OH 3.38Å; K176-Y178 VanDerWaalsContact CE-CE1 3.49Å; K176-Y178 VanDerWaalsContact CE-CZ 3.49Å; K176-Y178 WeakPolarHBondContact CE-OH 3.42Å; K176-Y178 HydrophobicContact CG-CE2 4.07Å; K176-Y178 PolarHBondContact NZ-OH 3.04Å; K176-Y178 WeakPolarHBondContact O-CD2 3.14Å; K176-Y178 WeakPolarHBondContact O-CE2 3.42Å; K176-Y178 PolarHBondContact O-N 3.09Å; K176-Y178 VanDerWaalsContact O-N 3.11Å
177R50.9Low57.4Low196 Ų196133.4 Ų133.474%0.7467%0.674SS**  trans-65.9106.7176.3-68.4-168.3171.6-134.4-14.3111.4E175 G179E175-R177 VanDerWaalsContact C-N 3.35Å; E175-R177 HydrophobicContact CG-CG 4.24Å; E175-R177 PolarHBondContact O-N 3.15Å; E175-R177 IonicContact OE2-CZ 2.68Å; E175-R177 VanDerWaalsContact OE2-CZ 3.29Å; E175-R177 IonicContact OE2-NE 2.7Å; E175-R177 PolarHBondContact OE2-NE 2.93Å; E175-R177 IonicContact OE2-NH2 3.27Å; E175-R177 PolarHBondContact OE2-NH2 3.11Å; R177-G179 PolarHBondContact O-N 2.84Å
178Y45Very low55.8Low185 Ų185135 Ų13573%0.72567%0.67SS**  trans-80.1100.1167.8-63.6-86.4000109.2K176K176-Y178 HydrophobicContact CB-CE2 4.35Å; K176-Y178 HydrophobicContact CD-CE1 4.15Å; K176-Y178 HydrophobicContact CD-CE2 4.09Å; K176-Y178 WeakPolarHBondContact CD-OH 3.38Å; K176-Y178 VanDerWaalsContact CE-CE1 3.49Å; K176-Y178 VanDerWaalsContact CE-CZ 3.49Å; K176-Y178 WeakPolarHBondContact CE-OH 3.42Å; K176-Y178 HydrophobicContact CG-CE2 4.07Å; K176-Y178 PolarHBondContact NZ-OH 3.04Å; K176-Y178 WeakPolarHBondContact O-CD2 3.14Å; K176-Y178 WeakPolarHBondContact O-CE2 3.42Å; K176-Y178 PolarHBondContact O-N 3.09Å; K176-Y178 VanDerWaalsContact O-N 3.11Å
179G40.2Very low53.5Low72 Ų72129.4 Ų129.474%0.74266%0.664SS**  trans26.8116.3164.700000121.4R177R177-G179 PolarHBondContact O-N 2.84Å
180L39.3Very low51.6Low171 Ų171128.3 Ų128.390%0.89566%0.664SS**  -165.696.3119.7-167.877000111.4
181H35.9Very low49.4Very low168 Ų168133 Ų13378%0.77868%0.682SS**  trans-157.879.3151.8-165.3-92.4000110.5H183H181-H183 PolarHBondContact O-N 2.87Å; H181-H183 VanDerWaalsContact O-N 3.1Å
182E39.1Very low46.7Very low193 Ų193135.6 Ų135.690%0.90270%0.703SS**  trans-73.793.1171.6-175.5-171.4123.400109.7
183H38.2Very low44.3Very low115 Ų115145.1 Ų145.153%0.53273%0.732SS.*  trans-156.196.1160.7-165.7-98.7000114.2H181H181-H183 PolarHBondContact O-N 2.87Å; H181-H183 VanDerWaalsContact O-N 3.1Å
184R33.3Very low41.9Very low188 Ų188142.6 Ų142.671%0.70974%0.737SS**  trans78.7115.8137-151.4153.486.3-161.216.9121
185D36.2Very low39.7Very low152 Ų152144.2 Ų144.281%0.81376%0.758SS**  trans56.9121.6145.6-51.1-15000121.7
186G31.5Very low38.2Very low79 Ų79143.3 Ų143.381%0.81478%0.775SS**  trans163.599164.800000113.8
187S35.6Very low37.1Very low108 Ų108140.6 Ų140.676%0.75579%0.788SS**  trans-65.8145.3175.6-177.10000112
188P50.8Low36.3Very low122 Ų122135.1 Ų135.179%0.79279%0.793SS**  trans-70.6145.9170.530.6-35.7000111.7
189T37.6Very low35.9Very low138 Ų138135.8 Ų135.885%0.84780%0.803SS**  trans-138.7140.5170.9-37.60000111
190D33.9Very low35.7Very low112 Ų112139.6 Ų139.660%0.59981%0.806SS**  trans-82.8164.8179.3176.427.2000112.1
191R38Very low36.2Very low217 Ų217137.7 Ų137.782%0.81980%0.804SS**  trans71.9156.1170.6-38.2-174.7-174.8148.516.7114.5
192S30.2Very low36.1Very low114 Ų114133.3 Ų133.380%0.79780%0.804SS**  cis-151.9167.515.6-173.80000112.5
193W36.6Very low35.7Very low256 Ų256128.1 Ų128.197%0.9780%0.802SS**  trans-71.6152.2160.7-123.8-41000111.2
194G31.1Very low35.5Very low62 Ų62125.8 Ų125.864%0.63981%0.81SS**  trans117.9125.9144.400000118.2
195S31.9Very low35.6Very low136 Ų136127 Ų12795%0.95182%0.824SS**  trans54.4140.3153.7-580000120.6
196G31.1Very low35.4Very low80 Ų80123.6 Ų123.683%0.82582%0.824SS**  cis159.1174.8-3.300000112.2
197G32.9Very low35.7Very low88 Ų88126.4 Ų126.491%0.90783%0.831SS**  trans96.6143.4172.800000115.2
198G33Very low35.5Very low81 Ų81124.8 Ų124.884%0.83583%0.832SS**  trans13793.4-17700000111
199Q36.6Very low34.7Very low200 Ų200123.1 Ų123.194%0.93584%0.837SS**  trans-97.6148.8176.6-73.4173.391.900110.7
200D37.1Very low34.5Very low152 Ų152120.4 Ų120.481%0.81384%0.836SS**  trans-53.9165.4164.1-92.3-58.4000112.8
201P49.5Very low34.7Very low130 Ų130124.1 Ų124.184%0.84485%0.85SS**  cis-138.6165.129.940.5-22.6000118.3
202G33.3Very low35.2Very low77 Ų77118.8 Ų118.879%0.79484%0.843SS**  trans-137.8104.7169.600000114.1
203G31Very low35.7Very low83 Ų83122.4 Ų122.486%0.85685%0.845SS**  trans-173.3151.616800000110.9
204G35.2Very low35.5Very low67 Ų67115 Ų11569%0.69184%0.838SS**  cis172.4161.2-5.400000111.6
205Q34.8Very low35.5Very low214 Ų214115.5 Ų115.5100%184%0.843SS**  trans70149.4-177.7-52.8179.592.300116.4
206G31.3Very low35.7Very low80 Ų80117.5 Ų117.583%0.82584%0.84SS**  trans173.3113.9176.600000111.1
207S37.9Very low36.3Very low138 Ų138119.4 Ų119.497%0.96584%0.837SS**  trans-89155.4-175.5-171.40000112.6
208G32.2Very low36.2Very low74 Ų74118.9 Ų118.976%0.76383%0.825SS**  trans166.8123.3170.600000113.1
209G34.4Very low36.2Very low87 Ų87123.6 Ų123.690%0.89783%0.827SS**  trans-103.4154.6177.300000113
210G32.8Very low36Very low81 Ų81123.8 Ų123.884%0.83583%0.828SS**  trans-173.1120176.200000114.5
211Q37.1Very low35.7Very low189 Ų189127.6 Ų127.688%0.88383%0.831SS**  trans-119.2171.1157.4-113-156.2-23.400106.9
212P50.3Low34.9Very low106 Ų106128.4 Ų128.469%0.68883%0.828SS**  cis-136.4-174.913.534.5-12.7000115.4
213K39.8Very low35.1Very low189 Ų189130.4 Ų130.482%0.82283%0.827SS**  135.5116115.6-165.3171.2-178.2-178.40117
214A32.3Very low35Very low101 Ų101130.9 Ų130.984%0.83582%0.816SS**  trans57.7133.5147.800000121.8
215G30.1Very low34.7Very low72 Ų72136.4 Ų136.474%0.74282%0.824SS**  trans170.577170.100000112.7
216M36.4Very low35Very low179 Ų179136.9 Ų136.988%0.88282%0.817SS**  trans-106.5154.6168.3-58.2-91.981.400108.2
217P45.4Very low35Very low119 Ų119139.1 Ų139.177%0.77382%0.817SS**  -148.2176.492.541-25.9000115.5
218A30.8Very low34.9Very low78 Ų78140.7 Ų140.765%0.64581%0.809SS**  trans51.2103.8149.500000118.5
219M31.8Very low35.1Very low180 Ų180142.6 Ų142.689%0.88781%0.808SS**  76.8108.353.393.2-156-161.200115
220E32.5Very low34.9Very low203 Ų203147.3 Ų147.395%0.94981%0.807SS**  -150.2173.8127.3-125.7-175.4102.400110.6
221R31.3Very low35.2Very low232 Ų232150.4 Ų150.488%0.87581%0.809SS**  trans-100.4151.9-162.4-68.4-175.6173.3103-4.8113.6
222L32.3Very low35Very low148 Ų148149 Ų14978%0.77581%0.807SS**  trans-59.3152.5157.6-141.777.2000109.9
223P36.5Very low34.2Very low119 Ų119148.2 Ų148.277%0.77381%0.809SS**  -122.4152.8105.435.3-34000112.7
224S29.8Very low34.3Very low92 Ų92144.7 Ų144.764%0.64381%0.808SS**  trans-96.4122.7174.3-178.60000109.3
225E28.7Very low35.3Very low183 Ų183145.6 Ų145.686%0.85581%0.805SS**  trans-121.1132.7161.1-72.8-154.879.300110.4
226R41.2Very low35.8Very low224 Ų224148.1 Ų148.185%0.84581%0.809SS**PPolyproline II helixtrans-95.9127.2163.2-71-178.8175.690.3-6.7108.1
227P31.9Very low35.8Very low127 Ų127145.1 Ų145.183%0.82580%0.801SS**PPolyproline II helixtrans-70.5132.9148.4-22.435.9000110
228Q34.8Very low35.4Very low172 Ų172148.7 Ų148.780%0.80481%0.807SS**PPolyproline II helixtrans-77.6158.2177.3-167.4168.516.700110.5Q230Q228-Q230 PolarHBondContact O-N 2.94Å
229P36.1Very low35.9Very low114 Ų114152 Ų15274%0.7481%0.814SS**PPolyproline II helixtrans-57131.3177-26.736000112.2V231P229-V231 PolarHBondContact O-N 3.16Å
230Q30.8Very low36.1Very low186 Ų186147.1 Ų147.187%0.86981%0.81SS**  trans-76.490.6-178.4-66.2-170.758.500110.9Q228 L232Q228-Q230 PolarHBondContact O-N 2.94Å; Q230-L232 PolarHBondContact O-N 3.42Å; Q230-L232 VanDerWaalsContact O-N 3.11Å
231V39.4Very low36.1Very low145 Ų145140.4 Ų140.488%0.87980%0.795SS**  trans-69.597.6162.1176.30000107.6P229P229-V231 PolarHBondContact O-N 3.16Å
232L33Very low36.5Very low161 Ų161137.4 Ų137.484%0.84380%0.795SS**PPolyproline II helixtrans-97.9132173-164.563.8000110.1Q230Q230-L232 PolarHBondContact O-N 3.42Å; Q230-L232 VanDerWaalsContact O-N 3.11Å
233A33.6Very low37Very low89 Ų89140.8 Ų140.874%0.73680%0.798SS**PPolyproline II helixtrans-78.8146.5-163.800000114.3
234S41Very low36.9Very low114 Ų114141.7 Ų141.780%0.79780%0.796SS**PPolyproline II helixtrans-70.8137165.9-46.10000111
235P53.3Low37.2Very low120 Ų120143.4 Ų143.478%0.77981%0.808SS**PPolyproline II helixtrans-73.3147.6168.631.1-33.9000111.1
236P40.3Very low37.5Very low125 Ų125139.4 Ų139.481%0.81280%0.8SS**PPolyproline II helixtrans-83.8136-17431.9-34.8000114.4
237V37.6Very low37.3Very low117 Ų117136.6 Ų136.671%0.70980%0.801SS**  trans7.6129.3150.6-172.60000118.6
238Q36.6Very low37.4Very low194 Ų194135 Ų13591%0.90780%0.798SS**  trans-129.6117.6137.1-172.2161.275.200110.4G240Q238-G240 PolarHBondContact O-N 2.9Å
239N41.4Very low37.9Very low148 Ų148132.1 Ų132.179%0.79180%0.795SS**  trans-78.4103.3178.3-80.5-41.5000110.6G241N239-G241 PolarHBondContact O-N 2.96Å
240G36.1Very low37.7Very low77 Ų77132.5 Ų132.579%0.79480%0.799SS**  trans-75.5110.4163.300000109.8Q238 L242Q238-G240 PolarHBondContact O-N 2.9Å; G240-L242 PolarHBondContact O-N 3.29Å
241G32.7Very low37.7Very low62 Ų62128 Ų12864%0.63979%0.793SS**  trans-66.4130.9-169.400000114.4N239 R243N239-G241 PolarHBondContact O-N 2.96Å; G241-R243 WeakPolarHBondContact O-CG 3.47Å; G241-R243 PolarHBondContact O-N 3.1Å
242L39.2Very low37.4Very low168 Ų168128.8 Ų128.888%0.8879%0.791SS**  trans-51.1130.3158.5179.567.8000108.9G240G240-L242 PolarHBondContact O-N 3.29Å
243R42.2Very low37.5Very low220 Ų220130.5 Ų130.583%0.8380%0.795SS**  trans-126.6126175.1-46-142.682.3-126.7-1.3109G241G241-R243 WeakPolarHBondContact O-CG 3.47Å; G241-R243 PolarHBondContact O-N 3.1Å
244D35Very low37.4Very low138 Ų138129.7 Ų129.774%0.73880%0.795SS**  trans-61.2156.8-178.5-61.2-85.7000113.2
245S35.9Very low37.4Very low127 Ų127131.5 Ų131.589%0.88880%0.796SS**  trans-14861.8168.9-72.30000110.1
246S36.5Very low37.3Very low100 Ų100131.2 Ų131.270%0.69979%0.794SS**  trans-104.8115.2177.7-70.20000111.7
247L35.7Very low37.1Very low164 Ų164136.9 Ų136.986%0.85980%0.8SS**  trans69.4107.4148.5-54.2173.4000120.8
248A34.7Very low36.9Very low93 Ų93135.8 Ų135.877%0.76980%0.803SS**  71.2171.7127.300000119.9
249P45.8Very low36.8Very low112 Ų112131.9 Ų131.973%0.72780%0.797SS**  cis-132.7-171.9-40.132.7-13.8000113.9
250C31.6Very low36.4Very low123 Ų123129.3 Ų129.383%0.83180%0.796SS**  trans73.9152.7161-64.10000118.1
251A31.3Very low36.5Very low90 Ų90133.9 Ų133.974%0.74480%0.797SS**  cis-162.6156.2-17.500000113.1
252L33.1Very low37.4Very low162 Ų162135.7 Ų135.785%0.84880%0.797SS**  trans45.5110139.7-168.277.4000122.3
253E33.7Very low37.3Very low197 Ų197133.2 Ų133.292%0.92179%0.789SS**  -177.6145.7129-106.1-176.17000108.8
254G31.6Very low37Very low72 Ų72130 Ų13074%0.74279%0.788SS**  cis-167.8157-9.200000109.9
255N40.6Very low37.1Very low153 Ų153134.2 Ų134.282%0.81879%0.793SS**  trans-157.9136.6-177.1-177.313.7000113.2
256P52.1Low37.2Very low113 Ų113133.7 Ų133.773%0.73478%0.781SS**  trans-124.8110.3171.836.6-20.9000116.4
257R36.1Very low37.2Very low245 Ų245139.5 Ų139.593%0.92579%0.787SS**  trans65.6155.2155-80.1176.4168.1172.3-4.1118.2
258A33.8Very low37.4Very low94 Ų94135 Ų13578%0.77778%0.78SS**  cis-139.3176.1-3.600000108.8
259S34.1Very low37.5Very low111 Ų111142.3 Ų142.378%0.77679%0.788SS**  cis-159.3151.422-1670000113.8
260A33.5Very low36.9Very low94 Ų94140.1 Ų140.178%0.77779%0.786SS**  trans38.2106.6154.700000122.4
261E38.1Very low37.6Very low174 Ų174140.6 Ų140.681%0.81379%0.788SS**  trans-84-163.9141.1-124.9-155.293.600109.1
262P51.6Low38Very low99 Ų99141.6 Ų141.664%0.64379%0.789SS**  cis-120.2-159.6-1.537.1-15.2000111.6
263T37.6Very low38.8Very low116 Ų116140.2 Ų140.271%0.71279%0.789SS**  cis-149.6-166.711.1-11.50000107.6
264L35.9Very low38.6Very low154 Ų154134.5 Ų134.581%0.80678%0.784SS**  cis-150.5169.220.4-172.956.6000110.8
265R35.9Very low39Very low225 Ų225138.9 Ų138.985%0.84979%0.789SS**  trans-137.6155.2168.9-80.1-175.7165.5-144.60.6110.4
266D39.1Very low39.2Very low117 Ų117137.7 Ų137.763%0.62679%0.79SS**  167162.198.9-164.630.5000113.3
267R35.9Very low38.4Very low221 Ų221137.9 Ų137.983%0.83479%0.789SS**  trans32.2144161.2-77.9168-177.7166.8-2.4122
268G40.3Very low38.6Very low69 Ų69135.1 Ų135.171%0.71179%0.787SS**  cis113.892.3-3.100000115.8
269R35.6Very low38.7Very low247 Ų247138.6 Ų138.693%0.93279%0.787SS**  trans-166.3149.9164.1-160.9166-77.7-105.4-1.9111.6
270G32.9Very low38.7Very low66 Ų66137.9 Ų137.968%0.6879%0.787SS**  trans-99.2-160.4166.900000112.4
271P47.6Very low38.8Very low134 Ų134140.5 Ų140.587%0.8779%0.789SS**  cis-130.7-171.87.342.6-25.6000114.9
272S39.3Very low38.5Very low111 Ų111136 Ų13678%0.77679%0.789SS**  trans-75.5178.4163.9-42.20000111.9
273P50.2Low37.9Very low132 Ų132139.5 Ų139.586%0.85780%0.796SS**  cis-134.1-177.90.743.3-26.7000115.4
274G29Very low37.7Very low78 Ų78142.6 Ų142.680%0.80480%0.803SS**  trans167130.4162.100000116.2
275L39.7Very low37.7Very low163 Ų163140.3 Ų140.385%0.85380%0.8SS**  trans-99.4163.3161-84.9168.4000109.6
276P46.3Very low38Very low128 Ų128138.8 Ų138.883%0.83180%0.799SS**  -139.9171.9118.238.8-27.8000114.9
277T34.6Very low38.5Very low117 Ų117137.9 Ų137.972%0.71880%0.8SS**  trans-110.4140.2-171.6-50.60000112.9E279T277-E279 HydrophobicContact CG2-CG 4.22Å
278Q39.3Very low38.5Very low187 Ų187134.5 Ų134.587%0.87480%0.798SS**  trans-163.8131.6150.5-139162.688.900108.2
279E36.8Very low38.6Very low168 Ų168136.9 Ų136.979%0.78580%0.799SS**  cis87.28928.1-68.9-113.382.200116.5T277T277-E279 HydrophobicContact CG2-CG 4.22Å
280A34.4Very low38.9Very low95 Ų95130.1 Ų130.179%0.78579%0.79SS**  trans-171.792.9151.800000107.7
281N34.9Very low39.3Very low150 Ų150132.9 Ų132.980%0.80279%0.789SS**  68.8121.979.1-162.2-2.2000114.2
282G32.3Very low39Very low79 Ų79135.5 Ų135.581%0.81479%0.789SS**  trans175.694-178.100000110
283Q38.2Very low39Very low172 Ų172138.6 Ų138.680%0.80479%0.791SS**  trans-127129.7-157.6175.1-175-70.900112.7
284Q34.6Very low38.3Very low182 Ų182137.7 Ų137.785%0.8578%0.783SS**  trans-151.9105.2161.7-153.1158.80.600115.7
285S35.7Very low38.8Very low105 Ų105139.5 Ų139.573%0.73478%0.783SS**  trans47.1117136.1-48.20000123.3
286K42.1Very low39Very low194 Ų194139.7 Ų139.784%0.84379%0.785SS**  trans-79.6178.9133.9-114.2-156.2173.7-169.60109.5
287P50Low39.5Very low98 Ų98139.6 Ų139.664%0.63678%0.784SS**  cis-113.7-162.35.444.1-29.3000112
288D34.6Very low39.9Very low149 Ų149145.8 Ų145.880%0.79779%0.794SS**  -151.4176.872.2-126.4-40.1000115.5
289T42Very low40Very low119 Ų119140.6 Ų140.673%0.7379%0.791SS**  trans-122.9138.3-175.4-61.40000112.1
290S42.4Very low40.3Very low106 Ų106137.7 Ų137.774%0.74180%0.795SS**  trans-158.2133.7150.3-168.10000112
291D42Very low40.6Very low124 Ų124137.1 Ų137.166%0.66380%0.799SS**  trans-67162158.4-66.1-95.3000111
292H40Very low41Very low189 Ų189133.7 Ų133.788%0.87580%0.799SS**  -174.8171.5107.5-88.8-41.5000112.8
293Q40.3Very low41.7Very low176 Ų176142.9 Ų142.982%0.82282%0.824SS**  trans-122.6165.8-161-151.5-168.2102.900111.1
294V35.3Very low41.8Very low112 Ų112141.4 Ų141.468%0.67983%0.825SS**  trans67.1117161.4-1800000117.9
295S39.2Very low42.2Very low116 Ų116139.3 Ų139.381%0.81182%0.824SS**  -172.3137.1117.2-81.90000113.4
296L44.9Very low42.6Very low168 Ų168141.2 Ų141.288%0.8883%0.829SS**  trans-96.5143.5164.2-81.7159.9000109.6
297P56.4Low42.6Very low125 Ų125138.1 Ų138.181%0.81283%0.828SS**  trans-87.5149.4151.633.4-28.9000110.8
298R42.1Very low42.2Very low247 Ų247140.6 Ų140.693%0.93284%0.84SS**  trans-128.8115.7-174.1170.9-176168.7170.8-2.3111.4
299G41.7Very low42.7Very low78 Ų78140 Ų14080%0.80484%0.843SS**  trans72.4179.9168.200000115.3
300A42.3Very low42.7Very low107 Ų107141.5 Ų141.588%0.88485%0.851SS**  cis-159.4157.7-7.900000111.1
301G40.6Very low42.7Very low84 Ų84144.2 Ų144.287%0.86686%0.859SS**  trans84.2152.9171.100000115.1
302G44.5Very low42.8Very low78 Ų78145.9 Ų145.980%0.80488%0.875SS**  cis136.885.4-9.100000114.3
303M46.3Very low43.1Very low271 Ų271142 Ų142100%1.33588%0.875SS**  trans-162.60157.7-108177.1172.400108.8

Retrieved 303 of 303 residues in 56.5 ms (Link to these results)