A0A077ZD54_TRITR Loading...

Nuclear nucleic acid-binding protein C1D

Plays a role in the recruitment of the exosome to pre-rRNA to mediate the 3'-5' end processing of the 5.8S rRNA.

AlphaFold DB , UniProt , Accession A0A077ZD54, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 174 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
1M59.6Low86.8Confident170 Ų170114.3 Ų114.384%0.83756%0.557SS**  0113.70-91-158-81.200106.2R6 K9M1-R6 HydrophobicContact CB-CG 4.48Å; M1-K9 PolarHBondContact SD-NZ 2.84Å
2D81.3Confident87.5Confident130 Ų130111.5 Ų111.570%0.69555%0.547SS*.  trans-62.1145.8-179.9-50.5-53.4000110.1N4 S5 R6D2-N4 PolarHBondContact O-N 3.22Å; D2-S5 WeakPolarHBondContact O-CB 3.45Å; D2-S5 PolarHBondContact O-N 2.86Å; D2-R6 PolarHBondContact O-N 3.24Å
3E85.7Confident87.9Confident157 Ų157108.5 Ų108.573%0.73453%0.534SS*.Hα-helixtrans-56.4-39.5-175.2-66.2-174.9155.300112S5 R6 I7E3-S5 PolarHBondContact O-N 3.05Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.92Å; E3-R6 VanDerWaalsContact O-N 3.13Å; E3-I7 PolarHBondContact O-N 2.85Å
4N88.1Confident88.3Confident118 Ų118109.4 Ų109.463%0.63154%0.535SS*.Hα-helixtrans-60.1-42.6175.7-65.7-15.2000112.2D2 R6 I7 D8D2-N4 PolarHBondContact O-N 3.22Å; N4-R6 PolarHBondContact O-N 3.26Å; N4-I7 WeakPolarHBondContact O-CB 3.29Å; N4-I7 PolarHBondContact O-N 2.81Å; N4-D8 VanDerWaalsContact O-CG 3.28Å; N4-D8 PolarHBondContact O-N 3.23Å
5S90.4Very high88.8Confident44 Ų44109.2 Ų109.231%0.30853%0.531SS..Hα-helixtrans-63.8-28.2178.3-1800000112.7D2 E3 K9D2-S5 WeakPolarHBondContact O-CB 3.45Å; D2-S5 PolarHBondContact O-N 2.86Å; E3-S5 PolarHBondContact O-N 3.05Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.47Å
6R88.4Confident89.2Confident127 Ų127109.4 Ų109.448%0.47953%0.532SS..Hα-helixtrans-71.8-43.9173.2-64.1177.464.3-166.7-1.8110.8M1 D2 E3 N4 D8 K9 Y10M1-R6 HydrophobicContact CB-CG 4.48Å; D2-R6 PolarHBondContact O-N 3.24Å; E3-R6 WeakPolarHBondContact O-CB 3.36Å; E3-R6 PolarHBondContact O-N 2.92Å; E3-R6 VanDerWaalsContact O-N 3.13Å; N4-R6 PolarHBondContact O-N 3.26Å; R6-D8 VanDerWaalsContact C-N 3.33Å; R6-K9 PolarHBondContact O-N 2.98Å; R6-Y10 HydrophobicContact CB-CE2 4.41Å; R6-Y10 WeakPolarHBondContact O-CD2 3.46Å; R6-Y10 PolarHBondContact O-N 3.38Å
7I92Very high89.5Confident96 Ų96107.2 Ų107.249%0.49253%0.527SS..Hα-helixtrans-60-45.5178.5-65168.2000110.2E3 N4 K9 Y10 V11E3-I7 PolarHBondContact O-N 2.85Å; N4-I7 WeakPolarHBondContact O-CB 3.29Å; N4-I7 PolarHBondContact O-N 2.81Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.78Å; I7-Y10 PolarHBondContact O-N 3.14Å; I7-V11 HydrophobicContact CG2-CG2 4.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.14Å
8D93.7Very high89.8Confident91 Ų91105.3 Ų105.349%0.48752%0.519SS..Hα-helixtrans-55.7-44.4178.2-63.6-26.3000111.6N4 R6 Y10 V11 D12N4-D8 VanDerWaalsContact O-CG 3.28Å; N4-D8 PolarHBondContact O-N 3.23Å; R6-D8 VanDerWaalsContact C-N 3.33Å; D8-Y10 VanDerWaalsContact C-N 3.32Å; D8-Y10 PolarHBondContact O-N 3.36Å; D8-V11 PolarHBondContact O-N 3.23Å; D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 2.88Å
9K91.2Very high90.1Very high113 Ų113105.4 Ų105.449%0.49152%0.518SS..Hα-helixtrans-62.4-35.6176.3-68.7174.3-175.4-1750113.5M1 S5 R6 I7 L13M1-K9 PolarHBondContact SD-NZ 2.84Å; S5-K9 WeakPolarHBondContact O-CG 3.31Å; S5-K9 PolarHBondContact O-N 3.47Å; R6-K9 PolarHBondContact O-N 2.98Å; I7-K9 VanDerWaalsContact C-N 3.29Å; I7-K9 PolarHBondContact O-N 2.78Å; K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3.08Å
10Y90.8Very high90.3Very high144 Ų144103.1 Ų103.157%0.56551%0.508SS*.Hα-helixtrans-72.3-38.4176.2-71.6-67.7000111.7R6 I7 D8 D12 L13 H14R6-Y10 HydrophobicContact CB-CE2 4.41Å; R6-Y10 WeakPolarHBondContact O-CD2 3.46Å; R6-Y10 PolarHBondContact O-N 3.38Å; I7-Y10 PolarHBondContact O-N 3.14Å; D8-Y10 VanDerWaalsContact C-N 3.32Å; D8-Y10 PolarHBondContact O-N 3.36Å; Y10-D12 VanDerWaalsContact C-N 3.34Å; Y10-L13 PolarHBondContact O-N 2.94Å; Y10-H14 WeakPolarHBondContact O-CB 3.29Å; Y10-H14 PolarHBondContact O-N 2.89Å
11V94.2Very high90.5Very high67 Ų67104 Ų10441%0.40651%0.511SS..Hα-helixtrans-63.3-43.4174.6172.80000110.3I7 D8 H14 K15I7-V11 HydrophobicContact CG2-CG2 4.28Å; I7-V11 WeakPolarHBondContact O-CG2 3.46Å; I7-V11 PolarHBondContact O-N 3.14Å; D8-V11 PolarHBondContact O-N 3.23Å; V11-H14 PolarHBondContact O-N 3.31Å; V11-K15 WeakPolarHBondContact O-CG 3.27Å; V11-K15 PolarHBondContact O-N 2.86Å; V11-K15 VanDerWaalsContact O-N 3.07Å
12D94.5Very high92.2Very high81 Ų81100.6 Ų100.643%0.43349%0.493SS..Hα-helixtrans-65.2-43.5176.3-68.7-20.3000111.5D8 Y10 H14 K15 M16D8-D12 VanDerWaalsContact O-CG 3.29Å; D8-D12 PolarHBondContact O-N 2.88Å; Y10-D12 VanDerWaalsContact C-N 3.34Å; D12-H14 VanDerWaalsContact C-N 3.3Å; D12-H14 PolarHBondContact O-N 3.45Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 IonicContact OD1-NZ 2.87Å; D12-M16 WeakPolarHBondContact O-CG 3.32Å; D12-M16 PolarHBondContact O-N 3.33Å
13L92.8Very high92.8Very high73 Ų7399.6 Ų99.638%0.38249%0.487SS..Hα-helixtrans-57.8-42.8174178.166.5000111.7K9 Y10 M16 V17 L65K9-L13 WeakPolarHBondContact O-CB 3.26Å; K9-L13 PolarHBondContact O-N 3.08Å; Y10-L13 PolarHBondContact O-N 2.94Å; L13-M16 PolarHBondContact O-N 2.97Å; L13-V17 HydrophobicContact CD1-CG2 4.41Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 2.67Å; L13-L65 HydrophobicContact CD2-CD2 3.74Å
14H93.9Very high93.1Very high120 Ų12095.4 Ų95.456%0.55647%0.472SS*.Hα-helixtrans-61.4-48.2178.2-173.4-71.9000111.6Y10 V11 D12 M16 V17 D18Y10-H14 WeakPolarHBondContact O-CB 3.29Å; Y10-H14 PolarHBondContact O-N 2.89Å; V11-H14 PolarHBondContact O-N 3.31Å; D12-H14 VanDerWaalsContact C-N 3.3Å; D12-H14 PolarHBondContact O-N 3.45Å; H14-M16 VanDerWaalsContact C-N 3.3Å; H14-M16 PolarHBondContact O-N 3.27Å; H14-V17 PolarHBondContact O-N 3.35Å; H14-V17 VanDerWaalsContact O-N 3.12Å; H14-D18 IonicContact CE1-OD1 2.77Å; H14-D18 PolarHBondContact CE1-OD1 2.93Å; H14-D18 IonicContact CE1-OD2 3.48Å; H14-D18 PolarHBondContact CE1-OD2 3.28Å; H14-D18 IonicContact ND1-OD1 3.78Å; H14-D18 IonicContact ND1-OD2 3.78Å; H14-D18 PolarHBondContact ND1-OD2 3.16Å; H14-D18 PolarHBondContact O-N 3.06Å
15K96.2Very high93.3Very high107 Ų10795.8 Ų95.847%0.46547%0.47SS..Hα-helixtrans-56.9-44.4176.5-68.6171.1-174.21650111.8V11 D12 V17 D18 E19V11-K15 WeakPolarHBondContact O-CG 3.27Å; V11-K15 PolarHBondContact O-N 2.86Å; V11-K15 VanDerWaalsContact O-N 3.07Å; D12-K15 PolarHBondContact O-N 3.23Å; D12-K15 IonicContact OD1-NZ 2.87Å; K15-V17 VanDerWaalsContact C-N 3.3Å; K15-V17 PolarHBondContact O-N 3.37Å; K15-D18 PolarHBondContact O-N 2.87Å; K15-E19 WeakPolarHBondContact O-CG 3.04Å; K15-E19 PolarHBondContact O-N 3.43Å
16M94.5Very high93.4Very high113 Ų113100.8 Ų100.856%0.55748%0.482SS*.Hα-helixtrans-64.5-35.2178.9-64.4-7215900112.2D12 L13 H14 L20D12-M16 WeakPolarHBondContact O-CG 3.32Å; D12-M16 PolarHBondContact O-N 3.33Å; L13-M16 PolarHBondContact O-N 2.97Å; H14-M16 VanDerWaalsContact C-N 3.3Å; H14-M16 PolarHBondContact O-N 3.27Å; M16-L20 WeakPolarHBondContact O-CB 3.22Å; M16-L20 PolarHBondContact O-N 3.11Å
17V94.1Very high93.4Very high72 Ų7298.8 Ų98.844%0.43648%0.475SS..Hα-helixtrans-70.3-39175171.30000111.2L13 H14 K15 L20 Q21L13-V17 HydrophobicContact CD1-CG2 4.41Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.48Å; L13-V17 PolarHBondContact O-N 2.67Å; H14-V17 PolarHBondContact O-N 3.35Å; H14-V17 VanDerWaalsContact O-N 3.12Å; K15-V17 VanDerWaalsContact C-N 3.3Å; K15-V17 PolarHBondContact O-N 3.37Å; V17-L20 PolarHBondContact O-N 2.85Å; V17-Q21 WeakPolarHBondContact O-CB 3.35Å; V17-Q21 PolarHBondContact O-N 3.34Å
18D95.8Very high93.2Very high73 Ų7398.7 Ų98.739%0.3948%0.479SS..Hα-helixtrans-62.5-45.4175-66.3-34.7000111.4H14 K15 L20 Q21 E22H14-D18 IonicContact CE1-OD1 2.77Å; H14-D18 PolarHBondContact CE1-OD1 2.93Å; H14-D18 IonicContact CE1-OD2 3.48Å; H14-D18 PolarHBondContact CE1-OD2 3.28Å; H14-D18 IonicContact ND1-OD1 3.78Å; H14-D18 IonicContact ND1-OD2 3.78Å; H14-D18 PolarHBondContact ND1-OD2 3.16Å; H14-D18 PolarHBondContact O-N 3.06Å; K15-D18 PolarHBondContact O-N 2.87Å; D18-L20 PolarHBondContact O-N 3.4Å; D18-Q21 WeakPolarHBondContact O-CB 3.41Å; D18-Q21 PolarHBondContact O-N 3.05Å; D18-E22 PolarHBondContact O-N 2.96Å
19E95.6Very high93.1Very high107 Ų107101.5 Ų101.550%0.549%0.489SS..Hα-helixtrans-60.2-44.4174.9-71.7174.1-163.400111.7K15 Q21 E22 L23K15-E19 WeakPolarHBondContact O-CG 3.04Å; K15-E19 PolarHBondContact O-N 3.43Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.44Å; E19-E22 PolarHBondContact O-N 3.3Å; E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.26Å
20L94.2Very high92.9Very high59 Ų59101.6 Ų101.631%0.30949%0.489SS..Hα-helixtrans-61.6-42.7175.517773.1000111.5M16 V17 D18 E22 L23 V24 L58M16-L20 WeakPolarHBondContact O-CB 3.22Å; M16-L20 PolarHBondContact O-N 3.11Å; V17-L20 PolarHBondContact O-N 2.85Å; D18-L20 PolarHBondContact O-N 3.4Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.08Å; L20-L23 PolarHBondContact O-N 3.42Å; L20-V24 HydrophobicContact CD1-CG2 4.33Å; L20-V24 HydrophobicContact CG-CG2 4.39Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.92Å; L20-L58 HydrophobicContact CD1-CD2 4.4Å; L20-L58 HydrophobicContact CD2-CD1 4.38Å; L20-L58 HydrophobicContact CD2-CD2 3.33Å; L20-L58 HydrophobicContact CD2-CG 4.49Å; L20-L58 HydrophobicContact CG-CD2 4.47Å
21Q94Very high92.7Very high123 Ų12398.3 Ų98.358%0.57549%0.486SS*.Hα-helixtrans-61.4-43.1178.5-178.4177.7-51.700111V17 D18 E19 V24 Q25V17-Q21 WeakPolarHBondContact O-CB 3.35Å; V17-Q21 PolarHBondContact O-N 3.34Å; D18-Q21 WeakPolarHBondContact O-CB 3.41Å; D18-Q21 PolarHBondContact O-N 3.05Å; E19-Q21 VanDerWaalsContact C-N 3.34Å; E19-Q21 PolarHBondContact O-N 3.44Å; Q21-V24 PolarHBondContact O-N 2.9Å; Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 PolarHBondContact O-N 3.42Å
22E95.5Very high92.2Very high98 Ų9899.1 Ų99.146%0.45848%0.484SS..Hα-helixtrans-61.4-44.5176-170.7179.4-178.100111.6D18 E19 L20 Q25 R26D18-E22 PolarHBondContact O-N 2.96Å; E19-E22 PolarHBondContact O-N 3.3Å; L20-E22 VanDerWaalsContact C-N 3.33Å; L20-E22 PolarHBondContact O-N 3.08Å; E22-Q25 PolarHBondContact O-N 3.44Å; E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 2.91Å; E22-R26 IonicContact OE1-CZ 2.92Å; E22-R26 IonicContact OE1-NE 3.86Å; E22-R26 PolarHBondContact OE1-NE 3.06Å; E22-R26 IonicContact OE1-NH2 2.66Å; E22-R26 PolarHBondContact OE1-NH2 3.24Å
23L93.6Very high91.8Very high109 Ų109100 Ų10057%0.57149%0.492SS*.Hα-helixtrans-62.4-44.4176.6-70.9173.6000112.5E19 L20 Q25 R26 Y27E19-L23 WeakPolarHBondContact O-CG 3.42Å; E19-L23 PolarHBondContact O-N 3.26Å; L20-L23 PolarHBondContact O-N 3.42Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; L23-R26 PolarHBondContact O-N 2.93Å; L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 2.8Å
24V91.7Very high91.5Very high69 Ų69100.2 Ų100.242%0.41849%0.494SS..Hα-helixtrans-65.5-38.7178.2171.60000110.8L20 Q21 Y27 T28L20-V24 HydrophobicContact CD1-CG2 4.33Å; L20-V24 HydrophobicContact CG-CG2 4.39Å; L20-V24 VanDerWaalsContact O-CG2 3.31Å; L20-V24 WeakPolarHBondContact O-CG2 3.47Å; L20-V24 PolarHBondContact O-N 2.92Å; Q21-V24 PolarHBondContact O-N 2.9Å; V24-Y27 PolarHBondContact O-N 3.17Å; V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 PolarHBondContact O-N 3.49Å; V24-T28 PolarHBondContact O-OG1 3.12Å
25Q92.5Very high91Very high126 Ų12696.4 Ų96.459%0.58947%0.474SS*.Hα-helixtrans-62.4-50.3176.4-174.4166.48.700110.8Q21 E22 L23 Y27 T28 E29Q21-Q25 WeakPolarHBondContact O-CB 3.47Å; Q21-Q25 PolarHBondContact O-N 3.42Å; E22-Q25 PolarHBondContact O-N 3.44Å; L23-Q25 VanDerWaalsContact C-N 3.32Å; Q25-Y27 VanDerWaalsContact C-N 3.27Å; Q25-Y27 PolarHBondContact O-N 2.94Å; Q25-T28 CarbonylContact O-C 3.59Å; Q25-T28 PolarHBondContact O-N 3.36Å; Q25-E29 PolarHBondContact O-N 2.96Å
26R92.1Very high90.5Very high149 Ų14995.9 Ų95.956%0.56248%0.475SS*.Hα-helixtrans-56-41.5174.8-69.9174.6-175.4-164.13.8112.1E22 L23 T28E22-R26 VanDerWaalsContact O-CG 3.31Å; E22-R26 WeakPolarHBondContact O-CG 3.5Å; E22-R26 PolarHBondContact O-N 2.91Å; E22-R26 IonicContact OE1-CZ 2.92Å; E22-R26 IonicContact OE1-NE 3.86Å; E22-R26 PolarHBondContact OE1-NE 3.06Å; E22-R26 IonicContact OE1-NH2 2.66Å; E22-R26 PolarHBondContact OE1-NH2 3.24Å; L23-R26 PolarHBondContact O-N 2.93Å; R26-T28 VanDerWaalsContact C-N 3.27Å; R26-T28 PolarHBondContact O-N 2.96Å
27Y88.8Confident90.1Very high85 Ų8595.9 Ų95.933%0.33348%0.481SS..Hα-helixtrans-67.8-26.7177-174.3-100.7000113.2L23 V24 Q25 R35 T47 L51L23-Y27 WeakPolarHBondContact O-CB 3.36Å; L23-Y27 PolarHBondContact O-N 2.8Å; V24-Y27 PolarHBondContact O-N 3.17Å; Q25-Y27 VanDerWaalsContact C-N 3.27Å; Q25-Y27 PolarHBondContact O-N 2.94Å; Y27-R35 PolarHBondContact O-NH1 3.42Å; Y27-R35 PolarHBondContact O-NH2 3.15Å; Y27-T47 WeakPolarHBondContact OH-CG2 3.42Å; Y27-L51 HydrophobicContact CE1-CD1 4.49Å
28T88.6Confident89.8Confident93 Ų9398.8 Ų98.857%0.57149%0.49SS*.Hα-helixtrans-95.6-7.9-175.5-50.80000113.3V24 Q25 R26 K30V24-T28 WeakPolarHBondContact O-CB 3.33Å; V24-T28 PolarHBondContact O-N 3.49Å; V24-T28 PolarHBondContact O-OG1 3.12Å; Q25-T28 CarbonylContact O-C 3.59Å; Q25-T28 PolarHBondContact O-N 3.36Å; R26-T28 VanDerWaalsContact C-N 3.27Å; R26-T28 PolarHBondContact O-N 2.96Å; T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.04Å
29E90.2Very high89.3Confident150 Ų15098.6 Ų98.670%0.70149%0.487SS*.SBendtrans-52.9-40.8178.7-76.4173.5-165.500113.5Q25Q25-E29 PolarHBondContact O-N 2.96Å
30K87.1Confident89Confident115 Ų11596.8 Ų96.850%0.549%0.486SS..SBendtrans-95.9146.8172.6-67.7-175.8176.9-171.90110.4T28 R35T28-K30 VanDerWaalsContact C-N 3.26Å; T28-K30 PolarHBondContact O-N 3.04Å; K30-R35 HydrophobicContact CB-CG 4.46Å; K30-R35 PolarHBondContact O-NH1 3.08Å
31P87Confident88.9Confident75 Ų75100.8 Ų100.849%0.48751%0.508SS..  trans-57.4143167.9-24.134.6000111.8V33 D34P31-V33 VanDerWaalsContact C-N 3.26Å; P31-V33 PolarHBondContact O-N 3.19Å; P31-D34 WeakPolarHBondContact CD-OD2 3.21Å; P31-D34 WeakPolarHBondContact CG-OD2 3.04Å; P31-D34 PolarHBondContact O-N 3.41Å
32F84Confident88.7Confident84 Ų8497.7 Ų97.737%0.36850%0.495SS..Hα-helixtrans-61.4-35.8179.1-179.3-101.8000112.5D34 R35 M36 L51F32-D34 PolarHBondContact O-N 3.43Å; F32-R35 PolarHBondContact O-N 2.88Å; F32-M36 HydrophobicContact CE1-SD 4.14Å; F32-M36 PolarHBondContact O-N 3.34Å; F32-M36 VanDerWaalsContact O-N 3.09Å; F32-L51 HydrophobicContact CE2-CD2 4.32Å
33V85.6Confident88.5Confident101 Ų10198 Ų9861%0.61250%0.496SS*.Hα-helixtrans-62.7-43-179.4-177.90000111.1P31 R35 M36 T37P31-V33 VanDerWaalsContact C-N 3.26Å; P31-V33 PolarHBondContact O-N 3.19Å; V33-R35 PolarHBondContact O-N 2.93Å; V33-M36 PolarHBondContact O-N 3.44Å; V33-T37 PolarHBondContact O-N 3.15Å
34D86.6Confident88.5Confident77 Ų7793.6 Ų93.641%0.41247%0.473SS..Hα-helixtrans-62.7-46.2-178.4-61.6-14.4000110.4P31 F32 M36 T37 E38P31-D34 WeakPolarHBondContact CD-OD2 3.21Å; P31-D34 WeakPolarHBondContact CG-OD2 3.04Å; P31-D34 PolarHBondContact O-N 3.41Å; F32-D34 PolarHBondContact O-N 3.43Å; D34-M36 VanDerWaalsContact C-N 3.31Å; D34-M36 PolarHBondContact O-N 3.35Å; D34-T37 PolarHBondContact O-N 2.86Å; D34-T37 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact O-OG1 3.29Å; D34-E38 PolarHBondContact O-N 3.3Å
35R83.7Confident88.5Confident39 Ų3992.5 Ų92.515%0.14747%0.472CS..Hα-helixtrans-60.1-39.8175.3-69.6-164.9-65.6-83.110.7113Y27 K30 F32 V33 T37 E38 Q39Y27-R35 PolarHBondContact O-NH1 3.42Å; Y27-R35 PolarHBondContact O-NH2 3.15Å; K30-R35 HydrophobicContact CB-CG 4.46Å; K30-R35 PolarHBondContact O-NH1 3.08Å; F32-R35 PolarHBondContact O-N 2.88Å; V33-R35 PolarHBondContact O-N 2.93Å; R35-T37 PolarHBondContact O-N 3.35Å; R35-E38 PolarHBondContact O-N 3.2Å; R35-E38 VanDerWaalsContact O-N 3.16Å; R35-Q39 PolarHBondContact O-N 3.41Å
36M84.9Confident88.6Confident96 Ų9691 Ų9147%0.47346%0.461SS..Hα-helixtrans-65.3-27.9-179.1-164.7171.2-175.400111.9F32 V33 D34 N44F32-M36 HydrophobicContact CE1-SD 4.14Å; F32-M36 PolarHBondContact O-N 3.34Å; F32-M36 VanDerWaalsContact O-N 3.09Å; V33-M36 PolarHBondContact O-N 3.44Å; D34-M36 VanDerWaalsContact C-N 3.31Å; D34-M36 PolarHBondContact O-N 3.35Å; M36-N44 WeakPolarHBondContact CA-OD1 3.37Å; M36-N44 HydrophobicContact CE-CB 4.33Å; M36-N44 HydrophobicContact CG-CB 4.37Å; M36-N44 PolarHBondContact O-ND2 3.46Å; M36-N44 PolarHBondContact O-OD1 2.7Å
37T87.1Confident88.6Confident113 Ų11385.2 Ų85.269%0.69344%0.442SS*.Hα-helixtrans-79-26.817562.40000114V33 D34 R35V33-T37 PolarHBondContact O-N 3.15Å; D34-T37 PolarHBondContact O-N 2.86Å; D34-T37 VanDerWaalsContact O-N 3.15Å; D34-T37 PolarHBondContact O-OG1 3.29Å; R35-T37 PolarHBondContact O-N 3.35Å
38E86.6Confident88.9Confident133 Ų13384.8 Ų84.862%0.62145%0.445SS*.Hα-helixtrans-78.1-25.3179.3-69.3174.9-179.600113D34 R35D34-E38 PolarHBondContact O-N 3.3Å; R35-E38 PolarHBondContact O-N 3.2Å; R35-E38 VanDerWaalsContact O-N 3.16Å
39Q86.2Confident89.2Confident69 Ų6981.1 Ų81.132%0.32242%0.422SS..SBendtrans-97.1154.6-171.4-71.4-177.6-28.900113.8R35 Q43 N44R35-Q39 PolarHBondContact O-N 3.41Å; Q39-Q43 HydrophobicContact CB-CB 4.11Å; Q39-N44 WeakPolarHBondContact CB-OD1 3.32Å; Q39-N44 PolarHBondContact O-ND2 2.79Å; Q39-N44 PolarHBondContact OE1-OD1 3.18Å
40S89.7Confident89.4Confident70 Ų7077.5 Ų77.549%0.4941%0.406SS..  trans-64.4150.1171.3175.30000111.2L42 Q43 N44S40-L42 PolarHBondContact O-N 3.09Å; S40-L42 VanDerWaalsContact O-N 3.08Å; S40-Q43 VanDerWaalsContact N-OE1 3.15Å; S40-Q43 WeakPolarHBondContact O-CA 3.42Å; S40-Q43 WeakPolarHBondContact O-CB 3.47Å; S40-Q43 PolarHBondContact O-N 3.49Å; S40-N44 PolarHBondContact O-N 3.35Å
41N90.6Very high89.6Confident142 Ų14274.5 Ų74.576%0.75940%0.395SS*.Hα-helixtrans-51-37177.4-70.5-26.7000113.3A45N41-A45 PolarHBondContact O-N 3.31Å
42L91.3Very high90Very high59 Ų5974.8 Ų74.831%0.30939%0.391SS..Hα-helixtrans-69.7-41.1177.5-177.159.4000112S40 A45 R46 I89 I92 E93S40-L42 PolarHBondContact O-N 3.09Å; S40-L42 VanDerWaalsContact O-N 3.08Å; L42-A45 PolarHBondContact O-N 3.45Å; L42-R46 PolarHBondContact O-N 3.46Å; L42-I89 HydrophobicContact CD1-CG2 4.5Å; L42-I92 HydrophobicContact CD1-CG2 3.88Å; L42-E93 HydrophobicContact CD1-CG 4.38Å; L42-E93 HydrophobicContact CD2-CG 3.77Å; L42-E93 HydrophobicContact CG-CG 4.24Å
43Q91.5Very high90.6Very high104 Ų10476.7 Ų76.749%0.48640%0.396SS..Hα-helixtrans-65.1-43.8175.8-70.6172.5-2200110.7Q39 S40 A45 R46 T47Q39-Q43 HydrophobicContact CB-CB 4.11Å; S40-Q43 VanDerWaalsContact N-OE1 3.15Å; S40-Q43 WeakPolarHBondContact O-CA 3.42Å; S40-Q43 WeakPolarHBondContact O-CB 3.47Å; S40-Q43 PolarHBondContact O-N 3.49Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.34Å; Q43-R46 WeakPolarHBondContact O-CB 3.33Å; Q43-R46 PolarHBondContact O-N 3.4Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; Q43-T47 PolarHBondContact O-N 3.14Å; Q43-T47 PolarHBondContact O-OG1 2.83Å
44N92.4Very high91Very high16 Ų1674.7 Ų74.79%0.08638%0.384CS..Hα-helixtrans-56.5-45.6174.1-77.7-29.6000112.3M36 Q39 S40 R46 N48M36-N44 WeakPolarHBondContact CA-OD1 3.37Å; M36-N44 HydrophobicContact CE-CB 4.33Å; M36-N44 HydrophobicContact CG-CB 4.37Å; M36-N44 PolarHBondContact O-ND2 3.46Å; M36-N44 PolarHBondContact O-OD1 2.7Å; Q39-N44 WeakPolarHBondContact CB-OD1 3.32Å; Q39-N44 PolarHBondContact O-ND2 2.79Å; Q39-N44 PolarHBondContact OE1-OD1 3.18Å; S40-N44 PolarHBondContact O-N 3.35Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.04Å; N44-N48 VanDerWaalsContact O-CB 3.31Å; N44-N48 WeakPolarHBondContact O-CB 3.38Å; N44-N48 PolarHBondContact O-N 2.95Å
45A93Very high91.3Very high46 Ų4674.6 Ų74.638%0.3839%0.386SS..Hα-helixtrans-61.6-43.4176.900000111.5N41 L42 Q43 N48 V49N41-A45 PolarHBondContact O-N 3.31Å; L42-A45 PolarHBondContact O-N 3.45Å; Q43-A45 VanDerWaalsContact C-N 3.32Å; Q43-A45 PolarHBondContact O-N 3.34Å; A45-N48 PolarHBondContact O-N 3.4Å; A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 3.27Å; A45-V49 VanDerWaalsContact O-N 3.11Å
46R93.8Very high91.8Very high96 Ų9674.3 Ų74.336%0.36239%0.388SS..Hα-helixtrans-61.3-54.4176-178.8174.3-179.5151.5-2.3112.5L42 Q43 N44 N48 V49 E50 I89 E93L42-R46 PolarHBondContact O-N 3.46Å; Q43-R46 WeakPolarHBondContact O-CB 3.33Å; Q43-R46 PolarHBondContact O-N 3.4Å; Q43-R46 VanDerWaalsContact O-N 3.13Å; N44-R46 VanDerWaalsContact C-N 3.33Å; N44-R46 PolarHBondContact O-N 3.04Å; R46-N48 PolarHBondContact O-N 3.18Å; R46-V49 PolarHBondContact O-N 3.38Å; R46-V49 VanDerWaalsContact O-N 3.08Å; R46-E50 HydrophobicContact CG-CG 4.37Å; R46-E50 VanDerWaalsContact CG-OE1 3.31Å; R46-E50 WeakPolarHBondContact CG-OE1 3.24Å; R46-E50 IonicContact CZ-OE1 2.77Å; R46-E50 IonicContact NE-OE1 3.02Å; R46-E50 PolarHBondContact NE-OE1 2.95Å; R46-E50 IonicContact NH2-OE1 3.04Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.9Å; R46-I89 HydrophobicContact CB-CG2 4.12Å; R46-I89 HydrophobicContact CG-CG2 4.41Å; R46-E93 WeakPolarHBondContact CD-OE1 3.36Å; R46-E93 IonicContact CZ-OE1 3.41Å; R46-E93 VanDerWaalsContact NH1-CD 3.35Å; R46-E93 IonicContact NH1-OE1 3.84Å; R46-E93 PolarHBondContact NH1-OE1 3.23Å; R46-E93 IonicContact NH1-OE2 3.49Å; R46-E93 PolarHBondContact NH1-OE2 3.35Å
47T92.8Very high92.2Very high26 Ų2671.1 Ų71.116%0.1638%0.376CS..Hα-helixtrans-58.5-37.2179-62.20000111.8Y27 Q43 E50 L51Y27-T47 WeakPolarHBondContact OH-CG2 3.42Å; Q43-T47 PolarHBondContact O-N 3.14Å; Q43-T47 PolarHBondContact O-OG1 2.83Å; T47-E50 PolarHBondContact O-N 3.21Å; T47-L51 WeakPolarHBondContact O-CB 3.49Å; T47-L51 PolarHBondContact O-N 3.39Å
48N93.3Very high92.4Very high76 Ų7669.1 Ų69.141%0.40636%0.361SS..Hα-helixtrans-64.7-44175.3-173.954.9000112.3N44 A45 R46 L51 M52N44-N48 VanDerWaalsContact O-CB 3.31Å; N44-N48 WeakPolarHBondContact O-CB 3.38Å; N44-N48 PolarHBondContact O-N 2.95Å; A45-N48 PolarHBondContact O-N 3.4Å; R46-N48 PolarHBondContact O-N 3.18Å; N48-L51 PolarHBondContact O-N 3.13Å; N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 3.02Å
49V95.4Very high92.8Very high16 Ų1667.2 Ų67.210%0.09735%0.351CS..Hα-helixtrans-68-37.6177.3176.60000111.6A45 R46 M52 Y53 I82 K85 L86 I89A45-V49 WeakPolarHBondContact O-CG2 3.35Å; A45-V49 PolarHBondContact O-N 3.27Å; A45-V49 VanDerWaalsContact O-N 3.11Å; R46-V49 PolarHBondContact O-N 3.38Å; R46-V49 VanDerWaalsContact O-N 3.08Å; V49-M52 PolarHBondContact O-N 3.37Å; V49-Y53 PolarHBondContact O-N 3.22Å; V49-I82 HydrophobicContact CG1-CG2 4.1Å; V49-K85 HydrophobicContact CG1-CB 3.96Å; V49-K85 HydrophobicContact CG2-CB 4.22Å; V49-L86 HydrophobicContact CB-CD2 4.24Å; V49-L86 HydrophobicContact CG1-CD2 3.57Å; V49-L86 HydrophobicContact CG1-CG 3.64Å; V49-I89 HydrophobicContact CB-CD1 3.86Å; V49-I89 HydrophobicContact CG1-CD1 4.35Å; V49-I89 HydrophobicContact CG2-CD1 3.53Å
50E93.9Very high93.1Very high75 Ų7567.8 Ų67.835%0.3535%0.35SS..Hα-helixtrans-62.1-42.3172.9-71.7169.4174.100111.4R46 T47 M52 Y53 V54 L86R46-E50 HydrophobicContact CG-CG 4.37Å; R46-E50 VanDerWaalsContact CG-OE1 3.31Å; R46-E50 WeakPolarHBondContact CG-OE1 3.24Å; R46-E50 IonicContact CZ-OE1 2.77Å; R46-E50 IonicContact NE-OE1 3.02Å; R46-E50 PolarHBondContact NE-OE1 2.95Å; R46-E50 IonicContact NH2-OE1 3.04Å; R46-E50 WeakPolarHBondContact O-CG 3.49Å; R46-E50 PolarHBondContact O-N 2.9Å; T47-E50 PolarHBondContact O-N 3.21Å; E50-M52 PolarHBondContact O-N 3.05Å; E50-Y53 VanDerWaalsContact O-CB 3.3Å; E50-Y53 WeakPolarHBondContact O-CB 3.45Å; E50-Y53 PolarHBondContact O-N 3.07Å; E50-Y53 VanDerWaalsContact O-N 3.14Å; E50-V54 WeakPolarHBondContact O-CG2 3.3Å; E50-V54 PolarHBondContact O-N 3.48Å; E50-L86 HydrophobicContact CG-CD2 4.46Å
51L93.2Very high93.2Very high52 Ų5267.4 Ų67.427%0.27235%0.347SS..Hα-helixtrans-62.7-42.2175.1-178.161.4000111.9Y27 F32 T47 N48 Y53 V54 V55Y27-L51 HydrophobicContact CE1-CD1 4.49Å; F32-L51 HydrophobicContact CE2-CD2 4.32Å; T47-L51 WeakPolarHBondContact O-CB 3.49Å; T47-L51 PolarHBondContact O-N 3.39Å; N48-L51 PolarHBondContact O-N 3.13Å; L51-Y53 VanDerWaalsContact C-N 3.27Å; L51-Y53 PolarHBondContact O-N 2.86Å; L51-V54 PolarHBondContact O-N 3.35Å; L51-V55 HydrophobicContact CD1-CG2 4.37Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.82Å
52M94.8Very high93.3Very high81 Ų8164.8 Ų64.840%0.39933%0.33SS..Hα-helixtrans-60.7-38174-66.3-58.998.200111.8N48 V49 E50 N56 I82N48-M52 WeakPolarHBondContact O-CG 3.4Å; N48-M52 PolarHBondContact O-N 3.02Å; V49-M52 PolarHBondContact O-N 3.37Å; E50-M52 PolarHBondContact O-N 3.05Å; M52-N56 WeakPolarHBondContact O-CB 3.5Å; M52-N56 PolarHBondContact O-N 3.28Å; M52-N56 VanDerWaalsContact O-N 3.11Å; M52-I82 HydrophobicContact CB-CD1 4.05Å; M52-I82 HydrophobicContact CB-CG1 4.45Å; M52-I82 WeakPolarHBondContact O-CD1 3.43Å
53Y95.4Very high93.4Very high123 Ų12362.5 Ų62.548%0.48232%0.318SS..Hα-helixtrans-61.4-50.2173.9176.8-105.6000111.5V49 E50 L51 V55 N56 A57 L79 I82V49-Y53 PolarHBondContact O-N 3.22Å; E50-Y53 VanDerWaalsContact O-CB 3.3Å; E50-Y53 WeakPolarHBondContact O-CB 3.45Å; E50-Y53 PolarHBondContact O-N 3.07Å; E50-Y53 VanDerWaalsContact O-N 3.14Å; L51-Y53 VanDerWaalsContact C-N 3.27Å; L51-Y53 PolarHBondContact O-N 2.86Å; Y53-V55 PolarHBondContact O-N 3.04Å; Y53-N56 PolarHBondContact O-N 2.64Å; Y53-A57 VanDerWaalsContact O-CB 3.3Å; Y53-A57 WeakPolarHBondContact O-CB 3.31Å; Y53-A57 PolarHBondContact O-N 2.66Å; Y53-L79 HydrophobicContact CD2-CD2 4.2Å; Y53-L79 HydrophobicContact CE2-CD2 4.23Å; Y53-I82 HydrophobicContact CD2-CG2 4.19Å; Y53-I82 HydrophobicContact CG-CG2 4.48Å
54V93.9Very high93.4Very high60 Ų6064.7 Ų64.736%0.36432%0.322SS..Hα-helixtrans-58.3-51.3-179.7173.40000110.8E50 L51 N56 A57 L58E50-V54 WeakPolarHBondContact O-CG2 3.3Å; E50-V54 PolarHBondContact O-N 3.48Å; L51-V54 PolarHBondContact O-N 3.35Å; V54-N56 VanDerWaalsContact C-N 3.32Å; V54-N56 PolarHBondContact O-N 2.84Å; V54-A57 PolarHBondContact O-N 2.91Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.31Å; V54-L58 PolarHBondContact O-N 2.65Å
55V93.9Very high93.3Very high75 Ų7568.7 Ų68.746%0.45534%0.343SS..Hα-helixtrans-59.4-43.6-179.4173.70000111.5L51 Y53 L58 F59L51-V55 HydrophobicContact CD1-CG2 4.37Å; L51-V55 WeakPolarHBondContact O-CG2 3.34Å; L51-V55 PolarHBondContact O-N 2.82Å; Y53-V55 PolarHBondContact O-N 3.04Å; V55-L58 PolarHBondContact O-N 3.49Å; V55-F59 PolarHBondContact O-N 3.42Å
56N94Very high93.2Very high33 Ų3371.7 Ų71.718%0.17635%0.349CS..Hα-helixtrans-70.3-35.3178.7-76.8-2.6000112.7M52 Y53 V54 F59 W60 I75 L79 I82M52-N56 WeakPolarHBondContact O-CB 3.5Å; M52-N56 PolarHBondContact O-N 3.28Å; M52-N56 VanDerWaalsContact O-N 3.11Å; Y53-N56 PolarHBondContact O-N 2.64Å; V54-N56 VanDerWaalsContact C-N 3.32Å; V54-N56 PolarHBondContact O-N 2.84Å; N56-F59 PolarHBondContact O-N 3.29Å; N56-W60 WeakPolarHBondContact O-CB 3.43Å; N56-W60 PolarHBondContact O-N 3.48Å; N56-I75 HydrophobicContact CB-CD1 4.18Å; N56-I75 WeakPolarHBondContact O-CD1 3.3Å; N56-L79 HydrophobicContact CB-CD2 3.94Å; N56-I82 HydrophobicContact CB-CD1 4.12Å; N56-I82 WeakPolarHBondContact ND2-CD1 3.36Å
57A92.8Very high92.8Very high28 Ų2874.6 Ų74.623%0.23137%0.371CS..Hα-helixtrans-65-42.2174.200000111.3Y53 V54 W60 C61Y53-A57 VanDerWaalsContact O-CB 3.3Å; Y53-A57 WeakPolarHBondContact O-CB 3.31Å; Y53-A57 PolarHBondContact O-N 2.66Å; V54-A57 PolarHBondContact O-N 2.91Å; A57-W60 WeakPolarHBondContact O-CB 3.3Å; A57-W60 PolarHBondContact O-N 2.87Å; A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.28Å; A57-C61 VanDerWaalsContact O-SG 3.38Å
58L93.1Very high92.5Very high71 Ų7176.2 Ų76.237%0.37238%0.383SS..Hα-helixtrans-64-41.1174.7-65.5179.6000112L20 V54 V55 W60 C61 Q62L20-L58 HydrophobicContact CD1-CD2 4.4Å; L20-L58 HydrophobicContact CD2-CD1 4.38Å; L20-L58 HydrophobicContact CD2-CD2 3.33Å; L20-L58 HydrophobicContact CD2-CG 4.49Å; L20-L58 HydrophobicContact CG-CD2 4.47Å; V54-L58 HydrophobicContact CG1-CD1 4.09Å; V54-L58 HydrophobicContact CG1-CG 4.38Å; V54-L58 VanDerWaalsContact O-CG 3.31Å; V54-L58 WeakPolarHBondContact O-CG 3.31Å; V54-L58 PolarHBondContact O-N 2.65Å; V55-L58 PolarHBondContact O-N 3.49Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.33Å; L58-C61 WeakPolarHBondContact O-CB 3.31Å; L58-C61 PolarHBondContact O-N 3.34Å; L58-Q62 PolarHBondContact O-N 2.92Å
59F93.7Very high92.2Very high93 Ų9376.5 Ų76.541%0.40839%0.385SS..Hα-helixtrans-64.6-38.4174.9-175.9-135000111.7V55 N56 Q62 L63 H73 I75V55-F59 PolarHBondContact O-N 3.42Å; N56-F59 PolarHBondContact O-N 3.29Å; F59-Q62 PolarHBondContact O-N 2.95Å; F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.25Å; F59-L63 HydrophobicContact CE2-CG 4.24Å; F59-L63 HydrophobicContact CZ-CD1 4.22Å; F59-L63 HydrophobicContact CZ-CD2 4.16Å; F59-L63 HydrophobicContact CZ-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.2Å; F59-H73 AromaticContact CE1-CE1 3.68Å; F59-I75 HydrophobicContact CB-CD1 4.01Å; F59-I75 HydrophobicContact CD1-CD1 3.21Å; F59-I75 HydrophobicContact CE1-CD1 3.98Å; F59-I75 HydrophobicContact CG-CD1 4.01Å
60W92.4Very high91.5Very high81 Ų8175.9 Ų75.931%0.30738%0.381SS..Hα-helixtrans-60.7-44.5171.8-175.690.8000112.2N56 A57 L58 Q62 L63 R64 A70 I75N56-W60 WeakPolarHBondContact O-CB 3.43Å; N56-W60 PolarHBondContact O-N 3.48Å; A57-W60 WeakPolarHBondContact O-CB 3.3Å; A57-W60 PolarHBondContact O-N 2.87Å; L58-W60 VanDerWaalsContact C-N 3.32Å; L58-W60 PolarHBondContact O-N 3.33Å; W60-Q62 VanDerWaalsContact C-N 3.34Å; W60-Q62 PolarHBondContact O-N 3.02Å; W60-L63 PolarHBondContact O-N 2.97Å; W60-R64 HydrophobicContact CD2-CG 4.4Å; W60-R64 HydrophobicContact CE3-CG 4.38Å; W60-R64 HydrophobicContact CH2-CG 4.48Å; W60-R64 HydrophobicContact CZ2-CG 4.46Å; W60-R64 VanDerWaalsContact CZ2-NH1 3.33Å; W60-R64 HydrophobicContact CZ3-CG 4.41Å; W60-R64 WeakPolarHBondContact O-CG 3.4Å; W60-R64 PolarHBondContact O-N 2.99Å; W60-R64 VanDerWaalsContact O-N 3.17Å; W60-A70 HydrophobicContact CG-CB 4.3Å; W60-I75 HydrophobicContact CB-CG1 4.39Å
61C92.1Very high90.9Very high62 Ų6276 Ų7642%0.41940%0.395SS..Hα-helixtrans-59-44.9174.1-700000111.6A57 L58 L63 R64 L65A57-C61 PolarHBondContact O-N 3.43Å; A57-C61 PolarHBondContact O-SG 3.28Å; A57-C61 VanDerWaalsContact O-SG 3.38Å; L58-C61 WeakPolarHBondContact O-CB 3.31Å; L58-C61 PolarHBondContact O-N 3.34Å; C61-L63 VanDerWaalsContact C-N 3.33Å; C61-L63 PolarHBondContact O-N 2.95Å; C61-R64 WeakPolarHBondContact O-CB 3.42Å; C61-R64 PolarHBondContact O-N 3.32Å; C61-R64 VanDerWaalsContact O-N 3.09Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å
62Q92.7Very high90.6Very high88 Ų8881.8 Ų81.841%0.41142%0.418SS..Hα-helixtrans-59.9-41.8178.2-178.264.1-1.800112.3L58 F59 W60 R64 L65 Q66L58-Q62 PolarHBondContact O-N 2.92Å; F59-Q62 PolarHBondContact O-N 2.95Å; W60-Q62 VanDerWaalsContact C-N 3.34Å; W60-Q62 PolarHBondContact O-N 3.02Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.47Å; Q62-L65 PolarHBondContact O-N 3.11Å; Q62-Q66 WeakPolarHBondContact O-CG 3.41Å; Q62-Q66 PolarHBondContact O-N 2.88Å; Q62-Q66 VanDerWaalsContact O-N 3.08Å
63L93.9Very high90.3Very high11 Ų1180.8 Ų80.86%0.05841%0.413CS..Hα-helixtrans-60.2-40.8175-70169.7000111.6F59 W60 C61 Q66 N67 C68 A70 H73 I75F59-L63 HydrophobicContact CE1-CD1 4.21Å; F59-L63 HydrophobicContact CE2-CD2 4.25Å; F59-L63 HydrophobicContact CE2-CG 4.24Å; F59-L63 HydrophobicContact CZ-CD1 4.22Å; F59-L63 HydrophobicContact CZ-CD2 4.16Å; F59-L63 HydrophobicContact CZ-CG 4.27Å; F59-L63 WeakPolarHBondContact O-CG 3.39Å; F59-L63 PolarHBondContact O-N 3.2Å; W60-L63 PolarHBondContact O-N 2.97Å; C61-L63 VanDerWaalsContact C-N 3.33Å; C61-L63 PolarHBondContact O-N 2.95Å; L63-Q66 PolarHBondContact O-N 2.89Å; L63-N67 PolarHBondContact O-N 2.9Å; L63-C68 HydrophobicContact CB-CB 4.29Å; L63-C68 HydrophobicContact CD2-CB 4.19Å; L63-C68 WeakPolarHBondContact O-CB 3.33Å; L63-C68 PolarHBondContact O-N 2.96Å; L63-A70 HydrophobicContact CB-CB 4.24Å; L63-H73 HydrophobicContact CD1-CB 4.18Å; L63-I75 HydrophobicContact CD1-CG2 4.08Å
64R90.6Very high90.2Very high150 Ų15078.8 Ų78.857%0.56641%0.414SS*.Hα-helixtrans-67-36.7177.5-64-158.574.3125.55.9112.7W60 C61 Q62 Q66 N67 A70W60-R64 HydrophobicContact CD2-CG 4.4Å; W60-R64 HydrophobicContact CE3-CG 4.38Å; W60-R64 HydrophobicContact CH2-CG 4.48Å; W60-R64 HydrophobicContact CZ2-CG 4.46Å; W60-R64 VanDerWaalsContact CZ2-NH1 3.33Å; W60-R64 HydrophobicContact CZ3-CG 4.41Å; W60-R64 WeakPolarHBondContact O-CG 3.4Å; W60-R64 PolarHBondContact O-N 2.99Å; W60-R64 VanDerWaalsContact O-N 3.17Å; C61-R64 WeakPolarHBondContact O-CB 3.42Å; C61-R64 PolarHBondContact O-N 3.32Å; C61-R64 VanDerWaalsContact O-N 3.09Å; Q62-R64 VanDerWaalsContact C-N 3.29Å; Q62-R64 PolarHBondContact O-N 3.47Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; R64-N67 PolarHBondContact O-N 3.08Å; R64-A70 HydrophobicContact CG-CB 4.03Å
65L90Very high90.1Very high99 Ų9976.2 Ų76.252%0.51840%0.398SS..Hα-helixtrans-65.9-33.5175.4-67.8173.1000112.3L13 C61 Q62 N67L13-L65 HydrophobicContact CD2-CD2 3.74Å; C61-L65 WeakPolarHBondContact O-CG 3.44Å; C61-L65 PolarHBondContact O-N 3.31Å; Q62-L65 PolarHBondContact O-N 3.11Å; L65-N67 PolarHBondContact O-N 2.72Å
66Q91Very high89.9Confident109 Ų10976.8 Ų76.851%0.50940%0.397SS..THydrogen-bonded Turntrans-80.38.8176.7-67.6177.5-2600113.5Q62 L63 R64 C68Q62-Q66 WeakPolarHBondContact O-CG 3.41Å; Q62-Q66 PolarHBondContact O-N 2.88Å; Q62-Q66 VanDerWaalsContact O-N 3.08Å; L63-Q66 PolarHBondContact O-N 2.89Å; R64-Q66 VanDerWaalsContact C-N 3.29Å; R64-Q66 PolarHBondContact O-N 3.45Å; Q66-C68 PolarHBondContact O-N 2.96Å
67N85.7Confident89.8Confident157 Ų15782.9 Ų82.984%0.8442%0.422SS*.THydrogen-bonded Turntrans56.127-173.4-58.2-64.4000113.7L63 R64 L65L63-N67 PolarHBondContact O-N 2.9Å; R64-N67 PolarHBondContact O-N 3.08Å; L65-N67 PolarHBondContact O-N 2.72Å
68C88.2Confident89.8Confident60 Ų6085.9 Ų85.941%0.40543%0.432SS..  trans-84.4140.6172.1-65.90000110.3L63 Q66 A70L63-C68 HydrophobicContact CB-CB 4.29Å; L63-C68 HydrophobicContact CD2-CB 4.19Å; L63-C68 WeakPolarHBondContact O-CB 3.33Å; L63-C68 PolarHBondContact O-N 2.96Å; Q66-C68 PolarHBondContact O-N 2.96Å; C68-A70 PolarHBondContact O-N 3Å
69D85.3Confident89.9Confident82 Ų8284 Ų8444%0.43942%0.422SS..  trans-73.589176.8-172.5-1.6000110.5A71 K72 H73D69-A71 PolarHBondContact O-N 3.16Å; D69-A71 VanDerWaalsContact O-N 3.13Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.02Å; D69-K72 PolarHBondContact O-N 3.43Å; D69-K72 VanDerWaalsContact O-N 3.17Å; D69-K72 WeakPolarHBondContact OD2-CD 3.41Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 2.65Å; D69-K72 PolarHBondContact OD2-NZ 3.36Å; D69-H73 PolarHBondContact O-N 3.33Å
70A80.9Confident89.8Confident3 Ų383.4 Ų83.43%0.02542%0.423CS..THydrogen-bonded Turntrans-62.8-17.2-178.600000113.5W60 L63 R64 C68W60-A70 HydrophobicContact CG-CB 4.3Å; L63-A70 HydrophobicContact CB-CB 4.24Å; R64-A70 HydrophobicContact CG-CB 4.03Å; C68-A70 PolarHBondContact O-N 3Å
71A80.9Confident90Very high78 Ų7882 Ų8265%0.64542%0.421SS*.THydrogen-bonded Turntrans-74.9-31177.100000112.6D69D69-A71 PolarHBondContact O-N 3.16Å; D69-A71 VanDerWaalsContact O-N 3.13Å; D69-A71 WeakPolarHBondContact OD1-CB 3.46Å; D69-A71 PolarHBondContact OD1-N 3.02Å
72K86.9Confident90.2Very high174 Ų17479.2 Ų79.276%0.75740%0.402SS*.THydrogen-bonded Turntrans-87.2-10.8175-67-177.9-173.6119.80113D69D69-K72 PolarHBondContact O-N 3.43Å; D69-K72 VanDerWaalsContact O-N 3.17Å; D69-K72 WeakPolarHBondContact OD2-CD 3.41Å; D69-K72 WeakPolarHBondContact OD2-CE 3.39Å; D69-K72 WeakPolarHBondContact OD2-CG 3.34Å; D69-K72 IonicContact OD2-NZ 2.65Å; D69-K72 PolarHBondContact OD2-NZ 3.36Å
73H90.3Very high90.2Very high60 Ų6081.3 Ų81.328%0.27841%0.41SS..SBendtrans-77.2142.1-177.1-170.4-86.9000111.3F59 L63 D69 I75 M76F59-H73 AromaticContact CE1-CE1 3.68Å; L63-H73 HydrophobicContact CD1-CB 4.18Å; D69-H73 PolarHBondContact O-N 3.33Å; H73-I75 HydrophobicContact CB-CG2 3.87Å; H73-I75 VanDerWaalsContact ND1-CB 3.31Å; H73-I75 WeakPolarHBondContact ND1-CB 3.44Å; H73-I75 VanDerWaalsContact ND1-CG2 3.31Å; H73-I75 WeakPolarHBondContact ND1-CG2 3.44Å; H73-I75 PolarHBondContact ND1-N 2.9Å; H73-I75 VanDerWaalsContact ND1-N 3.13Å; H73-I75 PolarHBondContact O-N 3.01Å; H73-M76 PolarHBondContact O-N 3.29Å; H73-M76 VanDerWaalsContact O-N 3.17Å
74P91.9Very high90.4Very high80 Ų8086.9 Ų86.952%0.51944%0.436SS..THydrogen-bonded Turntrans-58.7-14.7179.322.6-35.4000114.6M76 K77 E78P74-M76 PolarHBondContact O-N 3.05Å; P74-M76 VanDerWaalsContact O-N 3.15Å; P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.43Å; P74-K77 PolarHBondContact O-N 3.48Å; P74-E78 PolarHBondContact O-N 3.35Å
75I91.6Very high90.6Very high6 Ų684.3 Ų84.33%0.03143%0.428CS..Hα-helixtrans-51.4-35.3172.2-170.2108.7000112.4N56 F59 W60 L63 H73 K77 E78 L79N56-I75 HydrophobicContact CB-CD1 4.18Å; N56-I75 WeakPolarHBondContact O-CD1 3.3Å; F59-I75 HydrophobicContact CB-CD1 4.01Å; F59-I75 HydrophobicContact CD1-CD1 3.21Å; F59-I75 HydrophobicContact CE1-CD1 3.98Å; F59-I75 HydrophobicContact CG-CD1 4.01Å; W60-I75 HydrophobicContact CB-CG1 4.39Å; L63-I75 HydrophobicContact CD1-CG2 4.08Å; H73-I75 HydrophobicContact CB-CG2 3.87Å; H73-I75 VanDerWaalsContact ND1-CB 3.31Å; H73-I75 WeakPolarHBondContact ND1-CB 3.44Å; H73-I75 VanDerWaalsContact ND1-CG2 3.31Å; H73-I75 WeakPolarHBondContact ND1-CG2 3.44Å; H73-I75 PolarHBondContact ND1-N 2.9Å; H73-I75 VanDerWaalsContact ND1-N 3.13Å; H73-I75 PolarHBondContact O-N 3.01Å; I75-K77 PolarHBondContact O-N 3.24Å; I75-E78 WeakPolarHBondContact O-CA 3.49Å; I75-E78 WeakPolarHBondContact O-CB 3.31Å; I75-E78 PolarHBondContact O-N 3.48Å; I75-L79 HydrophobicContact CG1-CD1 4.36Å; I75-L79 HydrophobicContact CG1-CG 4.36Å; I75-L79 PolarHBondContact O-N 3.35Å
76M89.7Confident90.8Very high88 Ų8881.7 Ų81.743%0.43342%0.415SS..Hα-helixtrans-64.2-32.7-179.9-166.863-174.700111.5H73 P74 L79 N80H73-M76 PolarHBondContact O-N 3.29Å; H73-M76 VanDerWaalsContact O-N 3.17Å; P74-M76 PolarHBondContact O-N 3.05Å; P74-M76 VanDerWaalsContact O-N 3.15Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; M76-N80 PolarHBondContact O-N 3.39Å; M76-N80 VanDerWaalsContact O-N 3.13Å; M76-N80 PolarHBondContact O-ND2 3.4Å; M76-N80 VanDerWaalsContact O-ND2 3.09Å
77K92.7Very high91Very high161 Ų16180.3 Ų80.370%0.741%0.411SS*.Hα-helixtrans-66.8-41.2172.5-60.7-177.1178.4-179.40110.9P74 I75 N80 N81P74-K77 VanDerWaalsContact O-CB 3.31Å; P74-K77 WeakPolarHBondContact O-CB 3.43Å; P74-K77 PolarHBondContact O-N 3.48Å; I75-K77 PolarHBondContact O-N 3.24Å; K77-N80 PolarHBondContact O-N 3.14Å; K77-N81 WeakPolarHBondContact O-CB 3.49Å; K77-N81 PolarHBondContact O-N 2.98Å
78E93Very high91.4Very high91 Ų9176.6 Ų76.643%0.42539%0.394SS..Hα-helixtrans-66.5-38.8177.4-66.1-55151.300113P74 I75 N80 N81 I82P74-E78 PolarHBondContact O-N 3.35Å; I75-E78 WeakPolarHBondContact O-CA 3.49Å; I75-E78 WeakPolarHBondContact O-CB 3.31Å; I75-E78 PolarHBondContact O-N 3.48Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.49Å; E78-N81 WeakPolarHBondContact O-CB 3.43Å; E78-N81 PolarHBondContact O-N 2.88Å; E78-N81 PolarHBondContact OE2-ND2 2.92Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.33Å; E78-I82 PolarHBondContact O-N 3.35Å
79L93.8Very high91.7Very high32 Ų3274.4 Ų74.417%0.16838%0.378CS..Hα-helixtrans-63.3-39.7173.8-71.1172.9000111.6Y53 N56 I75 M76 I82 K83Y53-L79 HydrophobicContact CD2-CD2 4.2Å; Y53-L79 HydrophobicContact CE2-CD2 4.23Å; N56-L79 HydrophobicContact CB-CD2 3.94Å; I75-L79 HydrophobicContact CG1-CD1 4.36Å; I75-L79 HydrophobicContact CG1-CG 4.36Å; I75-L79 PolarHBondContact O-N 3.35Å; M76-L79 HydrophobicContact SD-CD1 4.46Å; L79-I82 PolarHBondContact O-N 2.97Å; L79-K83 PolarHBondContact O-N 3.46Å
80N93.5Very high92Very high79 Ų7976.1 Ų76.142%0.42238%0.382SS..Hα-helixtrans-65.6-40.6173.6-75.4-38.2000112.3M76 K77 E78 K83 Q84M76-N80 PolarHBondContact O-N 3.39Å; M76-N80 VanDerWaalsContact O-N 3.13Å; M76-N80 PolarHBondContact O-ND2 3.4Å; M76-N80 VanDerWaalsContact O-ND2 3.09Å; K77-N80 PolarHBondContact O-N 3.14Å; E78-N80 VanDerWaalsContact C-N 3.33Å; E78-N80 PolarHBondContact O-N 3.49Å; N80-K83 WeakPolarHBondContact O-CB 3.45Å; N80-K83 PolarHBondContact O-N 3.33Å; N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 3.14Å
81N94.9Very high92.6Very high52 Ų5280.3 Ų80.328%0.27840%0.401SS..Hα-helixtrans-60.6-44174.3-177.619.2000111.4K77 E78 K83 Q84 K85K77-N81 WeakPolarHBondContact O-CB 3.49Å; K77-N81 PolarHBondContact O-N 2.98Å; E78-N81 WeakPolarHBondContact O-CB 3.43Å; E78-N81 PolarHBondContact O-N 2.88Å; E78-N81 PolarHBondContact OE2-ND2 2.92Å; N81-K83 PolarHBondContact O-N 3Å; N81-Q84 WeakPolarHBondContact O-CB 3.42Å; N81-Q84 PolarHBondContact O-N 3.03Å; N81-K85 WeakPolarHBondContact O-CG 3.13Å; N81-K85 PolarHBondContact O-N 2.98Å; N81-K85 WeakPolarHBondContact OD1-CE 3.41Å
82I96.1Very high93.1Very high4 Ų480.7 Ų80.72%0.02139%0.391CS..Hα-helixtrans-62.8-42.5175.6-71.1168.4000111.3V49 M52 Y53 N56 E78 L79 Q84 K85 L86V49-I82 HydrophobicContact CG1-CG2 4.1Å; M52-I82 HydrophobicContact CB-CD1 4.05Å; M52-I82 HydrophobicContact CB-CG1 4.45Å; M52-I82 WeakPolarHBondContact O-CD1 3.43Å; Y53-I82 HydrophobicContact CD2-CG2 4.19Å; Y53-I82 HydrophobicContact CG-CG2 4.48Å; N56-I82 HydrophobicContact CB-CD1 4.12Å; N56-I82 WeakPolarHBondContact ND2-CD1 3.36Å; E78-I82 VanDerWaalsContact O-CG1 3.3Å; E78-I82 WeakPolarHBondContact O-CG1 3.33Å; E78-I82 PolarHBondContact O-N 3.35Å; L79-I82 PolarHBondContact O-N 2.97Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 3Å; I82-K85 WeakPolarHBondContact O-CB 3.3Å; I82-K85 PolarHBondContact O-N 3.22Å; I82-K85 VanDerWaalsContact O-N 3.14Å; I82-L86 HydrophobicContact CG2-CD1 4.3Å; I82-L86 PolarHBondContact O-N 3.41Å
83K94.3Very high93.2Very high132 Ų13275 Ų7557%0.57437%0.367SS*.Hα-helixtrans-57.9-42.9174.6-175.4179.5179.1-1800111.7L79 N80 N81 L86 N87L79-K83 PolarHBondContact O-N 3.46Å; N80-K83 WeakPolarHBondContact O-CB 3.45Å; N80-K83 PolarHBondContact O-N 3.33Å; N81-K83 PolarHBondContact O-N 3Å; K83-L86 PolarHBondContact O-N 3.04Å; K83-N87 PolarHBondContact O-N 3.03Å
84Q96.4Very high93.1Very high127 Ų12777.6 Ų77.659%0.59338%0.382SS*.Hα-helixtrans-61.3-45174.8-69.7172.6-14.100111.5N80 N81 I82 L86 N87 V88N80-Q84 WeakPolarHBondContact O-CG 3.43Å; N80-Q84 PolarHBondContact O-N 3.14Å; N81-Q84 WeakPolarHBondContact O-CB 3.42Å; N81-Q84 PolarHBondContact O-N 3.03Å; I82-Q84 VanDerWaalsContact C-N 3.3Å; I82-Q84 PolarHBondContact O-N 3Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.36Å; Q84-N87 WeakPolarHBondContact O-CB 3.49Å; Q84-N87 PolarHBondContact O-N 3.36Å; Q84-N87 VanDerWaalsContact O-N 3.16Å; Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 2.98Å
85K96Very high92.7Very high96 Ų9682.2 Ų82.242%0.41739%0.389SS..Hα-helixtrans-61.1-40.6176.6-69.1172.5-179175.70112.6V49 N81 I82 N87 V88 I89V49-K85 HydrophobicContact CG1-CB 3.96Å; V49-K85 HydrophobicContact CG2-CB 4.22Å; N81-K85 WeakPolarHBondContact O-CG 3.13Å; N81-K85 PolarHBondContact O-N 2.98Å; N81-K85 WeakPolarHBondContact OD1-CE 3.41Å; I82-K85 WeakPolarHBondContact O-CB 3.3Å; I82-K85 PolarHBondContact O-N 3.22Å; I82-K85 VanDerWaalsContact O-N 3.14Å; K85-N87 VanDerWaalsContact C-N 3.34Å; K85-V88 PolarHBondContact O-N 3.49Å; K85-I89 WeakPolarHBondContact O-CG1 3.31Å; K85-I89 PolarHBondContact O-N 3.27Å
86L94.6Very high92Very high45 Ų4585 Ų8524%0.23642%0.419CS..Hα-helixtrans-63.6-39.1174.5-73.9173000111.9V49 E50 I82 K83 Q84 I89 K90V49-L86 HydrophobicContact CB-CD2 4.24Å; V49-L86 HydrophobicContact CG1-CD2 3.57Å; V49-L86 HydrophobicContact CG1-CG 3.64Å; E50-L86 HydrophobicContact CG-CD2 4.46Å; I82-L86 HydrophobicContact CG2-CD1 4.3Å; I82-L86 PolarHBondContact O-N 3.41Å; K83-L86 PolarHBondContact O-N 3.04Å; Q84-L86 VanDerWaalsContact C-N 3.35Å; Q84-L86 PolarHBondContact O-N 3.36Å; L86-I89 PolarHBondContact O-N 3.24Å; L86-K90 WeakPolarHBondContact O-CG 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å
87N95.1Very high91.4Very high80 Ų8089.1 Ų89.143%0.42844%0.435SS..Hα-helixtrans-64.3-41.3175.5-71.7-8.5000111.8K83 Q84 K85 I89 K90 E91K83-N87 PolarHBondContact O-N 3.03Å; Q84-N87 WeakPolarHBondContact O-CB 3.49Å; Q84-N87 PolarHBondContact O-N 3.36Å; Q84-N87 VanDerWaalsContact O-N 3.16Å; K85-N87 VanDerWaalsContact C-N 3.34Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.01Å; N87-K90 PolarHBondContact O-N 3.02Å; N87-E91 WeakPolarHBondContact O-CB 3.42Å; N87-E91 PolarHBondContact O-N 3.48Å
88V94.4Very high90.5Very high78 Ų7883 Ų8347%0.47342%0.417SS..Hα-helixtrans-61.2-43.3174.7173.50000111.1Q84 K85 E91 I92Q84-V88 WeakPolarHBondContact O-CG2 3.44Å; Q84-V88 PolarHBondContact O-N 2.98Å; K85-V88 PolarHBondContact O-N 3.49Å; V88-E91 PolarHBondContact O-N 2.93Å; V88-I92 HydrophobicContact CG1-CD1 3.9Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.43Å; V88-I92 PolarHBondContact O-N 3Å
89I93.7Very high89.8Confident15 Ų1585 Ų858%0.07744%0.438CS..Hα-helixtrans-62.4-44.8176.7-70.9162.1000111L42 R46 V49 K85 L86 N87 E91 I92 E93L42-I89 HydrophobicContact CD1-CG2 4.5Å; R46-I89 HydrophobicContact CB-CG2 4.12Å; R46-I89 HydrophobicContact CG-CG2 4.41Å; V49-I89 HydrophobicContact CB-CD1 3.86Å; V49-I89 HydrophobicContact CG1-CD1 4.35Å; V49-I89 HydrophobicContact CG2-CD1 3.53Å; K85-I89 WeakPolarHBondContact O-CG1 3.31Å; K85-I89 PolarHBondContact O-N 3.27Å; L86-I89 PolarHBondContact O-N 3.24Å; N87-I89 VanDerWaalsContact C-N 3.34Å; N87-I89 PolarHBondContact O-N 3.01Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 3.12Å; I89-I92 PolarHBondContact O-N 3.39Å; I89-E93 HydrophobicContact CG2-CG 4.47Å; I89-E93 WeakPolarHBondContact O-CG 3.46Å; I89-E93 PolarHBondContact O-N 2.91Å
90K92.2Very high89.2Confident118 Ų11892.9 Ų92.951%0.51347%0.471SS..Hα-helixtrans-59.2-42.1175.4-73.2175.6-179.8-176.30111.9L86 N87 E93 L94L86-K90 WeakPolarHBondContact O-CG 3.3Å; L86-K90 PolarHBondContact O-N 2.77Å; N87-K90 PolarHBondContact O-N 3.02Å; K90-E93 PolarHBondContact O-N 3.42Å; K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 3.19Å
91E92.8Very high88.7Confident91 Ų9196.3 Ų96.343%0.42549%0.488SS..Hα-helixtrans-63-42.1176.8-167.3-170153.800111.5N87 V88 I89 L94 R95N87-E91 WeakPolarHBondContact O-CB 3.42Å; N87-E91 PolarHBondContact O-N 3.48Å; V88-E91 PolarHBondContact O-N 2.93Å; I89-E91 VanDerWaalsContact C-N 3.31Å; I89-E91 PolarHBondContact O-N 3.12Å; E91-L94 PolarHBondContact O-N 2.83Å; E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 VanDerWaalsContact O-CG 3.24Å; E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 3.32Å; E91-R95 IonicContact OE1-CZ 3.9Å; E91-R95 IonicContact OE1-NE 3.18Å; E91-R95 PolarHBondContact OE1-NE 3.4Å; E91-R95 IonicContact OE1-NH2 2.84Å; E91-R95 PolarHBondContact OE1-NH2 2.89Å
92I91.4Very high88.3Confident85 Ų8598.5 Ų98.544%0.43650%0.499SS..Hα-helixtrans-64.7-42.2176.1-66.7165.3000111.1L42 V88 I89 L94 R95 G96L42-I92 HydrophobicContact CD1-CG2 3.88Å; V88-I92 HydrophobicContact CG1-CD1 3.9Å; V88-I92 VanDerWaalsContact O-CG1 3.3Å; V88-I92 WeakPolarHBondContact O-CG1 3.43Å; V88-I92 PolarHBondContact O-N 3Å; I89-I92 PolarHBondContact O-N 3.39Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.25Å; I92-R95 PolarHBondContact O-N 3.49Å; I92-G96 PolarHBondContact O-N 3.47Å
93E89.2Confident88Confident55 Ų55101.9 Ų101.926%0.25753%0.528SS..Hα-helixtrans-60.3-40174.9-75.6177.5171.300111.9L42 R46 I89 K90L42-E93 HydrophobicContact CD1-CG 4.38Å; L42-E93 HydrophobicContact CD2-CG 3.77Å; L42-E93 HydrophobicContact CG-CG 4.24Å; R46-E93 WeakPolarHBondContact CD-OE1 3.36Å; R46-E93 IonicContact CZ-OE1 3.41Å; R46-E93 VanDerWaalsContact NH1-CD 3.35Å; R46-E93 IonicContact NH1-OE1 3.84Å; R46-E93 PolarHBondContact NH1-OE1 3.23Å; R46-E93 IonicContact NH1-OE2 3.49Å; R46-E93 PolarHBondContact NH1-OE2 3.35Å; I89-E93 HydrophobicContact CG2-CG 4.47Å; I89-E93 WeakPolarHBondContact O-CG 3.46Å; I89-E93 PolarHBondContact O-N 2.91Å; K90-E93 PolarHBondContact O-N 3.42Å
94L87.4Confident87.8Confident114 Ų11497.9 Ų97.960%0.59752%0.519SS*.Hα-helixtrans-74-38.9177.2-70.5172.6000112.7K90 E91 I92 G96 K97 G98K90-L94 WeakPolarHBondContact O-CB 3.18Å; K90-L94 VanDerWaalsContact O-CG 3.3Å; K90-L94 WeakPolarHBondContact O-CG 3.31Å; K90-L94 PolarHBondContact O-N 3.19Å; E91-L94 PolarHBondContact O-N 2.83Å; I92-L94 VanDerWaalsContact C-N 3.31Å; I92-L94 PolarHBondContact O-N 3.25Å; L94-G96 PolarHBondContact O-N 3.26Å; L94-K97 CarbonylContact O-C 3.56Å; L94-K97 WeakPolarHBondContact O-CA 3.45Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.97Å; L94-G98 PolarHBondContact O-N 3.35Å
95R83Confident87.5Confident178 Ų17893.5 Ų93.567%0.67251%0.505SS*.Hα-helixtrans-58.8-31.5175-77.9172.2178.7-89.72.3112E91 I92 K97 G98E91-R95 WeakPolarHBondContact O-CB 3.46Å; E91-R95 VanDerWaalsContact O-CG 3.24Å; E91-R95 WeakPolarHBondContact O-CG 3.4Å; E91-R95 PolarHBondContact O-N 3.32Å; E91-R95 IonicContact OE1-CZ 3.9Å; E91-R95 IonicContact OE1-NE 3.18Å; E91-R95 PolarHBondContact OE1-NE 3.4Å; E91-R95 IonicContact OE1-NH2 2.84Å; E91-R95 PolarHBondContact OE1-NH2 2.89Å; I92-R95 PolarHBondContact O-N 3.49Å; R95-K97 PolarHBondContact O-N 3.11Å; R95-G98 PolarHBondContact O-N 3.3Å
96G77.4Confident87.3Confident64 Ų6490.4 Ų90.466%0.6650%0.497SS*.THydrogen-bonded Turntrans-65.5-21.8172.200000114.5I92 L94I92-G96 PolarHBondContact O-N 3.47Å; L94-G96 PolarHBondContact O-N 3.26Å
97K77.1Confident87.2Confident175 Ų17594.6 Ų94.676%0.76151%0.514SS*.THydrogen-bonded Turntrans-102-11.4179.6-60.4179.4-178179.50113.7L94 R95L94-K97 CarbonylContact O-C 3.56Å; L94-K97 WeakPolarHBondContact O-CA 3.45Å; L94-K97 WeakPolarHBondContact O-CB 3.48Å; L94-K97 PolarHBondContact O-N 2.97Å; R95-K97 PolarHBondContact O-N 3.11Å
98G74.1Confident87Confident32 Ų3299.1 Ų99.133%0.3353%0.525SS..SBendtrans-65.3164.3-179.500000113.5L94 R95 K100L94-G98 PolarHBondContact O-N 3.35Å; R95-G98 PolarHBondContact O-N 3.3Å; G98-K100 PolarHBondContact O-N 3.4Å
99P78Confident86.8Confident132 Ų132100.6 Ų100.686%0.85753%0.529SS*.PPolyproline II helixtrans-59.6126.9178.424.4-32.6000110.3I101P99-I101 PolarHBondContact O-N 3.07Å
100K81Confident86.7Confident199 Ų199104.8 Ų104.887%0.86555%0.551SS**PPolyproline II helixtrans-75.1121.9176.1-65.3179.6-178.6176.40108.5G98 D102G98-K100 PolarHBondContact O-N 3.4Å; K100-D102 PolarHBondContact O-N 3.38Å
101I83.1Confident86.6Confident150 Ų150103.5 Ų103.577%0.76955%0.547SS*.PPolyproline II helixtrans-66.3126.1173.6-60172.4000108.4P99 A103 A106P99-I101 PolarHBondContact O-N 3.07Å; I101-A103 PolarHBondContact O-N 2.96Å; I101-A106 HydrophobicContact CG2-CB 4.25Å
102D86.5Confident86.4Confident98 Ų98105.2 Ų105.252%0.52455%0.554SS.*  trans-70.6100.5169179.2-2.5000109K100 A104 A105 A106K100-D102 PolarHBondContact O-N 3.38Å; D102-A104 PolarHBondContact O-N 2.87Å; D102-A104 WeakPolarHBondContact OD1-CA 3.49Å; D102-A104 VanDerWaalsContact OD1-CB 3.29Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 3.31Å; D102-A105 HydrophobicContact CB-CB 3.86Å; D102-A105 PolarHBondContact O-N 3.23Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.09Å; D102-A106 PolarHBondContact O-N 3.3Å
103A90.7Very high86.2Confident75 Ų75105.7 Ų105.762%0.6256%0.558SS**Hα-helixtrans-58.9-30.1179.200000112.6I101 K107I101-A103 PolarHBondContact O-N 2.96Å; A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.38Å
104A89.7Confident86.1Confident48 Ų48108.4 Ų108.440%0.39757%0.573SS.*Hα-helixtrans-72-42.417700000111D102 K107 R108D102-A104 PolarHBondContact O-N 2.87Å; D102-A104 WeakPolarHBondContact OD1-CA 3.49Å; D102-A104 VanDerWaalsContact OD1-CB 3.29Å; D102-A104 WeakPolarHBondContact OD1-CB 3.39Å; D102-A104 PolarHBondContact OD1-N 3.31Å; A104-K107 PolarHBondContact O-N 2.92Å; A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.24Å
105A91Very high85.9Confident35 Ų35112.3 Ų112.329%0.28958%0.58SS.*Hα-helixtrans-63-47.717300000111.4D102 K107 R108 L109D102-A105 HydrophobicContact CB-CB 3.86Å; D102-A105 PolarHBondContact O-N 3.23Å; D102-A105 VanDerWaalsContact O-N 3.14Å; D102-A105 PolarHBondContact OD1-N 3.09Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.13Å; A105-R108 WeakPolarHBondContact O-CB 3.45Å; A105-R108 PolarHBondContact O-N 3.03Å; A105-R108 VanDerWaalsContact O-N 3.08Å; A105-L109 WeakPolarHBondContact O-CG 3.46Å; A105-L109 PolarHBondContact O-N 2.89Å
106A91.1Very high85.6Confident31 Ų31106.1 Ų106.126%0.25656%0.564SS.*Hα-helixtrans-57.8-4317700000112I101 D102 R108 L109 I110I101-A106 HydrophobicContact CG2-CB 4.25Å; D102-A106 PolarHBondContact O-N 3.3Å; A106-R108 PolarHBondContact O-N 2.91Å; A106-L109 PolarHBondContact O-N 3.01Å; A106-I110 VanDerWaalsContact O-CG1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.87Å
107K92.1Very high85.2Confident133 Ų133108.3 Ų108.358%0.57856%0.561SS**Hα-helixtrans-61.1-42.2174.9-176177.5180179.60112.1A103 A104 A105 Q111A103-K107 VanDerWaalsContact O-CB 3.27Å; A103-K107 WeakPolarHBondContact O-CB 3.37Å; A103-K107 PolarHBondContact O-N 3.38Å; A104-K107 PolarHBondContact O-N 2.92Å; A105-K107 VanDerWaalsContact C-N 3.31Å; A105-K107 PolarHBondContact O-N 3.13Å; K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 VanDerWaalsContact O-CG 3.22Å; K107-Q111 WeakPolarHBondContact O-CG 3.33Å; K107-Q111 PolarHBondContact O-N 3.29Å
108R91.7Very high84.6Confident176 Ų176105.9 Ų105.966%0.66455%0.55SS*.Hα-helixtrans-65.2-41.9176.8-71.3170.3-173.21683.6111.7A104 A105 A106 Q111 H112A104-R108 VanDerWaalsContact O-CG 3.31Å; A104-R108 WeakPolarHBondContact O-CG 3.48Å; A104-R108 PolarHBondContact O-N 3.24Å; A105-R108 WeakPolarHBondContact O-CB 3.45Å; A105-R108 PolarHBondContact O-N 3.03Å; A105-R108 VanDerWaalsContact O-N 3.08Å; A106-R108 PolarHBondContact O-N 2.91Å; R108-Q111 PolarHBondContact O-N 3.47Å; R108-H112 VanDerWaalsContact O-CB 3.29Å; R108-H112 WeakPolarHBondContact O-CB 3.31Å; R108-H112 PolarHBondContact O-N 3.41Å
109L90.5Very high83.9Confident109 Ų109107.9 Ų107.957%0.57156%0.559SS**Hα-helixtrans-61.2-50.3176.5-68.6172.5000110.7A105 A106 Q111 H112 D113A105-L109 WeakPolarHBondContact O-CG 3.46Å; A105-L109 PolarHBondContact O-N 2.89Å; A106-L109 PolarHBondContact O-N 3.01Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.28Å; L109-H112 PolarHBondContact O-N 2.91Å; L109-D113 WeakPolarHBondContact O-CB 3.48Å; L109-D113 VanDerWaalsContact O-CG 3.3Å; L109-D113 PolarHBondContact O-N 3.21Å
110I89.9Confident83Confident102 Ų102105.2 Ų105.252%0.52354%0.54SS..Hα-helixtrans-59.4-43.9176.6-65.4164000111.1A106 D113 L114A106-I110 VanDerWaalsContact O-CG1 3.26Å; A106-I110 WeakPolarHBondContact O-CG1 3.44Å; A106-I110 PolarHBondContact O-N 2.87Å; I110-D113 PolarHBondContact O-N 2.94Å; I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.35Å
111Q90.6Very high81.8Confident92 Ų92102.9 Ų102.943%0.4353%0.533SS..Hα-helixtrans-65.1-40.9178.4-76.5179-19.400112.7K107 R108 L109 W115K107-Q111 WeakPolarHBondContact O-CB 3.49Å; K107-Q111 VanDerWaalsContact O-CG 3.22Å; K107-Q111 WeakPolarHBondContact O-CG 3.33Å; K107-Q111 PolarHBondContact O-N 3.29Å; R108-Q111 PolarHBondContact O-N 3.47Å; L109-Q111 VanDerWaalsContact C-N 3.33Å; L109-Q111 PolarHBondContact O-N 3.28Å; Q111-W115 WeakPolarHBondContact O-CB 3.39Å; Q111-W115 PolarHBondContact O-N 3.01Å
112H89.9Confident80.3Confident126 Ų126104.1 Ų104.158%0.58353%0.529SS*.Hα-helixtrans-62.7-45.7175.5173-88.8000111.2R108 L109 W115 S116R108-H112 VanDerWaalsContact O-CB 3.29Å; R108-H112 WeakPolarHBondContact O-CB 3.31Å; R108-H112 PolarHBondContact O-N 3.41Å; L109-H112 PolarHBondContact O-N 2.91Å; H112-W115 PolarHBondContact O-N 3.23Å; H112-S116 WeakPolarHBondContact O-CB 3.42Å; H112-S116 PolarHBondContact O-N 3.01Å; H112-S116 PolarHBondContact O-OG 3.34Å
113D86.8Confident78.7Confident95 Ų95102.2 Ų102.251%0.50853%0.526SS..Hα-helixtrans-67.5-40.7-178.7-68.8-4.1000111.1L109 I110 S116 L117L109-D113 WeakPolarHBondContact O-CB 3.48Å; L109-D113 VanDerWaalsContact O-CG 3.3Å; L109-D113 PolarHBondContact O-N 3.21Å; I110-D113 PolarHBondContact O-N 2.94Å; D113-S116 WeakPolarHBondContact CA-OG 3.31Å; D113-S116 PolarHBondContact O-N 3.09Å; D113-S116 PolarHBondContact O-OG 3.39Å; D113-L117 WeakPolarHBondContact O-CB 3Å; D113-L117 PolarHBondContact O-N 2.93Å
114L86.6Confident76.9Confident112 Ų112104.4 Ų104.459%0.58653%0.533SS*.Hα-helixtrans-65.3-40.1174-70.9174.6000112.9I110 K118I110-L114 HydrophobicContact CG2-CD1 3.82Å; I110-L114 HydrophobicContact CG2-CG 4.3Å; I110-L114 WeakPolarHBondContact O-CB 3.39Å; I110-L114 WeakPolarHBondContact O-CG 3.31Å; I110-L114 PolarHBondContact O-N 3.35Å; L114-K118 PolarHBondContact O-N 3.3Å; L114-K118 VanDerWaalsContact O-N 3.12Å
115W83.2Confident74.9Confident196 Ų196107.9 Ų107.974%0.74255%0.554SS**Hα-helixtrans-68.4-41176.4-103.8-36.8000112.2Q111 H112 K118 S119Q111-W115 WeakPolarHBondContact O-CB 3.39Å; Q111-W115 PolarHBondContact O-N 3.01Å; H112-W115 PolarHBondContact O-N 3.23Å; W115-K118 PolarHBondContact O-N 3.3Å; W115-S119 PolarHBondContact O-N 3.29Å; W115-S119 PolarHBondContact O-OG 3.17Å; W115-S119 VanDerWaalsContact O-OG 3.11Å
116S75.8Confident72.4Confident48 Ų48108.9 Ų108.934%0.33657%0.567SS.*Hα-helixtrans-63.9-42177.969.10000111.1H112 D113 K118 S119 T120H112-S116 WeakPolarHBondContact O-CB 3.42Å; H112-S116 PolarHBondContact O-N 3.01Å; H112-S116 PolarHBondContact O-OG 3.34Å; D113-S116 WeakPolarHBondContact CA-OG 3.31Å; D113-S116 PolarHBondContact O-N 3.09Å; D113-S116 PolarHBondContact O-OG 3.39Å; S116-K118 PolarHBondContact O-N 3.47Å; S116-S119 VanDerWaalsContact CA-OG 3.32Å; S116-S119 WeakPolarHBondContact CA-OG 3.42Å; S116-S119 PolarHBondContact O-N 2.95Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.24Å; S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.13Å
117L70.8Confident70Confident111 Ų111110.9 Ų110.958%0.58159%0.591SS**Hα-helixtrans-62.9-42.3177.1-156.975000112.6D113 S119 T120 E121D113-L117 WeakPolarHBondContact O-CB 3Å; D113-L117 PolarHBondContact O-N 2.93Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.15Å; L117-T120 WeakPolarHBondContact CA-OG1 3.35Å; L117-T120 PolarHBondContact O-N 3.41Å; L117-T120 PolarHBondContact O-OG1 2.97Å; L117-E121 PolarHBondContact O-N 3.17Å
118K64.4Low67.4Low123 Ų123112.3 Ų112.354%0.53561%0.605SS.*Hα-helixtrans-62.6-38.7175-168.6171.3-175.3177.10110.9L114 W115 S116 Y122L114-K118 PolarHBondContact O-N 3.3Å; L114-K118 VanDerWaalsContact O-N 3.12Å; W115-K118 PolarHBondContact O-N 3.3Å; S116-K118 PolarHBondContact O-N 3.47Å; K118-Y122 HydrophobicContact CD-CE2 4.35Å; K118-Y122 HydrophobicContact CG-CD2 4.04Å; K118-Y122 HydrophobicContact CG-CE2 3.63Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.42Å
119S59.2Low65.6Low74 Ų74111.6 Ų111.652%0.51762%0.615SS.*Hα-helixtrans-69.9-31.1174.446.40000113.7W115 S116 L117 A123W115-S119 PolarHBondContact O-N 3.29Å; W115-S119 PolarHBondContact O-OG 3.17Å; W115-S119 VanDerWaalsContact O-OG 3.11Å; S116-S119 VanDerWaalsContact CA-OG 3.32Å; S116-S119 WeakPolarHBondContact CA-OG 3.42Å; S116-S119 PolarHBondContact O-N 2.95Å; S116-S119 VanDerWaalsContact O-N 3.15Å; S116-S119 PolarHBondContact O-OG 3.24Å; L117-S119 VanDerWaalsContact C-N 3.29Å; L117-S119 PolarHBondContact O-N 3.15Å; S119-A123 WeakPolarHBondContact O-CB 3.32Å; S119-A123 PolarHBondContact O-N 2.95Å
120T58.4Low63.5Low77 Ų77115.2 Ų115.247%0.47263%0.628SS.*Hα-helixtrans-74.6-35.3175.48.70000113S116 L117 Y122 A123 T124S116-T120 PolarHBondContact O-N 3.08Å; S116-T120 PolarHBondContact O-OG1 3.13Å; L117-T120 WeakPolarHBondContact CA-OG1 3.35Å; L117-T120 PolarHBondContact O-N 3.41Å; L117-T120 PolarHBondContact O-OG1 2.97Å; T120-Y122 VanDerWaalsContact C-N 3.3Å; T120-Y122 PolarHBondContact O-N 3.02Å; T120-A123 PolarHBondContact O-N 3.07Å; T120-T124 WeakPolarHBondContact O-CG2 3.33Å; T120-T124 PolarHBondContact O-N 3.31Å; T120-T124 VanDerWaalsContact O-N 3.14Å; T120-T124 PolarHBondContact O-OG1 3.13Å
121E55Low61.4Low150 Ų150122 Ų12270%0.70165%0.648SS**Hα-helixtrans-69.5-27.1178.4-159.2171.3-161.700112.6L117 T124L117-E121 PolarHBondContact O-N 3.17Å; E121-T124 PolarHBondContact O-OG1 3.46Å
122Y53.5Low59.1Low175 Ų175125.7 Ų125.769%0.68667%0.665SS**Hα-helixtrans-90.4-15.6169.6-63.4-64.5000114.1K118 T120K118-Y122 HydrophobicContact CD-CE2 4.35Å; K118-Y122 HydrophobicContact CG-CD2 4.04Å; K118-Y122 HydrophobicContact CG-CE2 3.63Å; K118-Y122 WeakPolarHBondContact O-CD2 3.44Å; K118-Y122 PolarHBondContact O-N 3.42Å; T120-Y122 VanDerWaalsContact C-N 3.3Å; T120-Y122 PolarHBondContact O-N 3.02Å
123A52.9Low57Low58 Ų58125 Ų12548%0.47967%0.665SS.*Hα-helixtrans-94.5-10.9-178.500000114.6S119 T120 S125 G126S119-A123 WeakPolarHBondContact O-CB 3.32Å; S119-A123 PolarHBondContact O-N 2.95Å; T120-A123 PolarHBondContact O-N 3.07Å; A123-S125 PolarHBondContact O-N 3.23Å; A123-S125 VanDerWaalsContact O-N 3.08Å; A123-G126 PolarHBondContact O-N 3.13Å
124T52.4Low54.9Low122 Ų122124.4 Ų124.475%0.74867%0.668SS**THydrogen-bonded Turntrans-70.63.5173.8430000114.2T120 E121T120-T124 WeakPolarHBondContact O-CG2 3.33Å; T120-T124 PolarHBondContact O-N 3.31Å; T120-T124 VanDerWaalsContact O-N 3.14Å; T120-T124 PolarHBondContact O-OG1 3.13Å; E121-T124 PolarHBondContact O-OG1 3.46Å
125S46.8Very low53.2Low121 Ų121128.2 Ų128.285%0.84668%0.675SS**THydrogen-bonded Turntrans-115.27.7174.3-134.70000114.6A123A123-S125 PolarHBondContact O-N 3.23Å; A123-S125 VanDerWaalsContact O-N 3.08Å
126G39.6Very low51.1Low55 Ų55128.7 Ų128.757%0.56768%0.682SS**SBendtrans-177.5108177.800000116.5A123A123-G126 PolarHBondContact O-N 3.13Å
127G39.6Very low49.7Very low74 Ų74137.5 Ų137.576%0.76371%0.708SS**  trans76.6108.4137.300000117.6N129G127-N129 PolarHBondContact O-N 3.18Å
128N38.7Very low48.2Very low162 Ų162140.8 Ų140.887%0.86672%0.721SS**  trans-12.3122151.2-81.9-20.1000115.2
129N52.5Low47.1Very low162 Ų162144.1 Ų144.187%0.86673%0.731SS**  trans-150.2117.8139.5-99.6-31.3000112.1G127G127-N129 PolarHBondContact O-N 3.18Å
130Q47.7Very low46.3Very low184 Ų184145 Ų14586%0.8674%0.737SS**  trans-54.6128.1172.1-65.6160-18.200110.7
131R45.2Very low45.4Very low245 Ų245150.3 Ų150.393%0.92575%0.754SS**  trans-135.786.4150.7-77.1-164.5163.1-170.7-4.8109.4D133R131-D133 PolarHBondContact O-N 3.22Å; R131-D133 VanDerWaalsContact O-N 3.14Å
132H41.2Very low44.8Very low170 Ų170147.6 Ų147.679%0.78775%0.752SS**  trans-67.490.5165.4-174.8-96.5000108.4S134H132-S134 PolarHBondContact CE1-OG 3.13Å; H132-S134 PolarHBondContact ND1-OG 3.23Å; H132-S134 PolarHBondContact O-N 3.49Å
133D46.7Very low44.2Very low110 Ų110141.6 Ų141.659%0.58874%0.735SS**  trans-86.992.4166.1-167.8-5.9000108.2R131 R135R131-D133 PolarHBondContact O-N 3.22Å; R131-D133 VanDerWaalsContact O-N 3.14Å; D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 IonicContact OD1-NE 3.26Å; D133-R135 PolarHBondContact OD1-NE 3.17Å; D133-R135 IonicContact OD1-NH2 4Å; D133-R135 IonicContact OD2-CZ 3.44Å; D133-R135 IonicContact OD2-NE 3.22Å; D133-R135 PolarHBondContact OD2-NE 3.28Å; D133-R135 IonicContact OD2-NH2 2.81Å; D133-R135 PolarHBondContact OD2-NH2 3.49Å
134S43.5Very low43.7Very low83 Ų83146.9 Ų146.958%0.5875%0.75SS**  trans-73.376.3169.4-49.80000110.3H132H132-S134 PolarHBondContact CE1-OG 3.13Å; H132-S134 PolarHBondContact ND1-OG 3.23Å; H132-S134 PolarHBondContact O-N 3.49Å
135R49.8Very low43.1Very low192 Ų192149.1 Ų149.173%0.72575%0.752SS**  trans-104.586157.6-83.2-176.4-94.3-175.2-2.5108.9D133 R137D133-R135 PolarHBondContact O-N 2.92Å; D133-R135 IonicContact OD1-NE 3.26Å; D133-R135 PolarHBondContact OD1-NE 3.17Å; D133-R135 IonicContact OD1-NH2 4Å; D133-R135 IonicContact OD2-CZ 3.44Å; D133-R135 IonicContact OD2-NE 3.22Å; D133-R135 PolarHBondContact OD2-NE 3.28Å; D133-R135 IonicContact OD2-NH2 2.81Å; D133-R135 PolarHBondContact OD2-NH2 3.49Å; R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.21Å
136K38.6Very low42.8Very low206 Ų206150.8 Ų150.890%0.89675%0.746SS**  trans-45.497.3150.7-96.2-177.2170.4-1770107.2
137R47.7Very low43Very low234 Ų234156.3 Ų156.388%0.88376%0.757SS**  trans-87.3108.8153.5-86.6-177.2165179.2-5104.9R135 Y139R135-R137 VanDerWaalsContact C-N 3.26Å; R135-R137 PolarHBondContact O-N 3.21Å; R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.31Å
138E39.1Very low43.1Very low180 Ų180161 Ų16184%0.84176%0.756SS**  trans-52.8102.4161.4-79.6172.6144.800107.3S140E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.93Å
139Y41Very low43.3Very low193 Ų193161.1 Ų161.176%0.75775%0.752SS**  trans-8388.7162.7-156.5-93.8000105R137 K141 S143R137-Y139 VanDerWaalsContact C-N 3.31Å; R137-Y139 PolarHBondContact O-N 3.31Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.41Å; Y139-S143 WeakPolarHBondContact CE1-OG 3.43Å; Y139-S143 PolarHBondContact OH-OG 2.77Å
140S42.4Very low42.5Very low92 Ų92162.6 Ų162.664%0.64375%0.751SS**  trans-61.499.7169.5-67.20000108.1E138 S142E138-S140 VanDerWaalsContact C-N 3.28Å; E138-S140 PolarHBondContact O-N 2.93Å; S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 3.24Å
141K39.1Very low42.2Very low188 Ų188162.6 Ų162.682%0.81775%0.751SS**SBendtrans2.778.8137.7-162.5174.8-173.7177.90114Y139Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 3.41Å
142S42.3Very low42Very low94 Ų94158.8 Ų158.866%0.65774%0.744SS**  trans-145.111.6164.795.90000112.8S140S140-S142 VanDerWaalsContact C-N 3.34Å; S140-S142 PolarHBondContact O-N 3.24Å
143S41.5Very low41.8Very low49 Ų49154 Ų15434%0.34374%0.741SS.*SBendtrans-113.1-4.2-175.2-35.20000113.9Y139Y139-S143 WeakPolarHBondContact CE1-OG 3.43Å; Y139-S143 PolarHBondContact OH-OG 2.77Å
144E41.4Very low41.5Very low169 Ų169157.9 Ų157.979%0.7976%0.755SS**SBendtrans-98.97.5179.3-72.7179.217000113
145E41.1Very low41.3Very low169 Ų169162.4 Ų162.479%0.7977%0.767SS**SBendtrans-109-8.7173.4-74178.7177.900113.5
146E40.6Very low41Very low156 Ų156161.9 Ų161.973%0.72977%0.773SS**SBendtrans-96.8-9.1177.2-78.2-177.6163.600114.2K148E146-K148 VanDerWaalsContact C-N 3.32Å
147E42.4Very low41.1Very low171 Ų171160.7 Ų160.780%0.79978%0.775SS**THydrogen-bonded Turntrans-89.58.6175-73.1-173.4167.400113.6
148K42.2Very low40.6Very low171 Ų171153.8 Ų153.874%0.74376%0.763SS**THydrogen-bonded Turntrans-112.3-1171.2-84.9-171.7176-176.30115.4E146E146-K148 VanDerWaalsContact C-N 3.32Å
149E42.9Very low40.5Very low165 Ų165153.3 Ų153.377%0.77177%0.766SS**SBendtrans-100.50.8175.8-77.2-170.3160.100114.1
150F36.1Very low40.3Very low194 Ų194149.6 Ų149.685%0.85177%0.768SS**SBendtrans-105.7-6-178.3-137.4-96.6000115.2
151E41.9Very low40.2Very low183 Ų183151.4 Ų151.486%0.85578%0.781SS**SBendtrans-106.2-4.7174.8-87.9-172.4159.500114.5
152E40.1Very low40.5Very low166 Ų166146.8 Ų146.878%0.77677%0.772SS**SBendtrans-984.8176.7-68.7-174.6170.100113.7
153G36.9Very low40.6Very low70 Ų70149 Ų14972%0.72278%0.777SS**SBendtrans-88.6-2.1-177.200000116.5
154E40Very low40.9Very low190 Ų190154.9 Ų154.989%0.88881%0.805SS**SBendtrans-105.92.8-174.3-65.3-159.715900115.3
155E40.1Very low41.6Very low178 Ų178155 Ų15583%0.83281%0.805SS**SBendtrans-117.5-3.2-179.7-75.6-166155.800116.7
156E43Very low41.7Very low182 Ų182152.3 Ų152.385%0.8580%0.802SS**  trans-105.250.6179.7-64.1-142.7163.600114.5
157L40.8Very low41.9Very low180 Ų180149.6 Ų149.694%0.94281%0.807SS**SBendtrans-135.339.9159.7-73.7176.3000111
158S36.9Very low42.2Very low90 Ų90148 Ų14863%0.62981%0.809SS**SBendtrans-157.177.5164.3630000110.3
159N38.7Very low42.6Very low169 Ų169144.9 Ų144.990%0.90481%0.808SS**  trans152.4104.1151.1-81.1-21.5000110.5
160S36.7Very low42.9Very low115 Ų115142 Ų14280%0.80481%0.807SS**  trans167.489.4140.6-179.10000109.7
161S38.4Very low43.6Very low131 Ų131142 Ų14292%0.91680%0.801SS**  trans-137.280.3151.3-96.80000106.5
162S45.9Very low43.8Very low90 Ų90140.3 Ų140.363%0.62980%0.795SS**  trans-149120.3158.6-144.50000108.2
163D45.3Very low44.8Very low141 Ų141138 Ų13875%0.75479%0.792SS**  trans63.7105.8148.9-53.4-44.6000119.1
164N48.4Very low45.6Very low173 Ų173147.3 Ų147.393%0.92582%0.816SS**  trans-125113.7139.6-135.8-0.6000109.3
165Q54.5Low45.9Very low170 Ų170145.2 Ų145.279%0.79481%0.813SS**  trans-93.1176.6179.1-123.4-152.219.600110.1
166P44.1Very low46.2Very low113 Ų113143.4 Ų143.473%0.73481%0.812SS**  -108.7163.9-114.234.9-20.3000113.9
167A45.5Very low46.4Very low99 Ų99141.3 Ų141.382%0.81881%0.81SS**  trans-119126.2164.500000110.3
168T48.4Very low46.7Very low139 Ų139139 Ų13985%0.85380%0.802SS**  trans-59.2145.6176.855.10000113.6
169S49.2Very low47.3Very low104 Ų104142.1 Ų142.173%0.72781%0.813SS**  151.4132.8124.2-175.20000112.4
170S49.6Very low47.9Very low105 Ų105140.3 Ų140.373%0.73481%0.807SS**  trans74.7141.3156.8-750000118.1
171R50.4Low48.7Very low194 Ų194142.1 Ų142.173%0.73281%0.807SS**  cis172.6139.5-1.6164.3172.6177.5162.8-0.1106.6
172M47.6Very low49.4Very low148 Ų148142.9 Ų142.973%0.72980%0.798SS**  trans67.2147.4162.8-67.8162.5137.300115.3
173V60Low49.7Very low118 Ų118147.3 Ų147.372%0.71581%0.812SS**  cis-161.3143.841173.70000107.7
174E53.9Low50.2Low264 Ų264147.9 Ų147.9100%1.23482%0.818SS**  trans64.20164.1-75.6173.6164.300121.2

Retrieved 174 of 174 residues in 297.4 ms (Link to these results)