A0A087YL29_POEFO Loading...

NADH dehydrogenase [ubiquinone] 1 beta subcomplex subunit 1

Accessory subunit of the mitochondrial membrane respiratory chain NADH dehydrogenase (Complex I) that is believed not to be involved in catalysis. Complex I functions in the transfer of electrons from NADH to the respiratory chain. The immediate electron acceptor for the enzyme is believed to be ubiquinone.

AlphaFold DB , UniProt , Accession A0A087YL29, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 57 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
1M37.6Very low56.4Low239 Ų239131.1 Ų131.1100%1.17770%0.697SS**  0960-166.4-179.2-123.600107.6K3M1-K3 PolarHBondContact O-N 3.4Å
2V50Low58.4Low118 Ų118124 Ų12472%0.71567%0.671SS**  trans-65.3121.1-177.6178.40000107.8F4V2-F4 HydrophobicContact CB-CE2 4.22Å; V2-F4 HydrophobicContact CG1-CE2 4.39Å; V2-F4 VanDerWaalsContact O-CD2 3.28Å; V2-F4 WeakPolarHBondContact O-CD2 3.45Å; V2-F4 PolarHBondContact O-N 2.93Å
3K50.6Low60.3Low194 Ų194124.6 Ų124.684%0.84367%0.666SS**  trans-70.490.5-178.9-71.6-178.2172.6-1780109.3M1 A5M1-K3 PolarHBondContact O-N 3.4Å; K3-A5 PolarHBondContact O-N 2.69Å
4F56.3Low61.9Low168 Ų168122.4 Ų122.474%0.73765%0.653SS**G310 helixtrans-69.126.4166.7-74.8-84.3000113.1V2 S7V2-F4 HydrophobicContact CB-CE2 4.22Å; V2-F4 HydrophobicContact CG1-CE2 4.39Å; V2-F4 VanDerWaalsContact O-CD2 3.28Å; V2-F4 WeakPolarHBondContact O-CD2 3.45Å; V2-F4 PolarHBondContact O-N 2.93Å; F4-S7 PolarHBondContact O-OG 3.3Å
5A52.3Low63.5Low79 Ų79119.9 Ų119.965%0.65364%0.639SS**G310 helixtrans-88.9-4.9-175.100000113.5K3K3-A5 PolarHBondContact O-N 2.69Å
6L53.6Low65.1Low135 Ų135119.7 Ų119.771%0.70764%0.643SS**G310 helixtrans-88.40177-145.683.7000113.3N10L6-N10 HydrophobicContact CG-CB 4.45Å; L6-N10 WeakPolarHBondContact O-CB 3.19Å
7S58.2Low66.7Low81 Ų81117 Ų11757%0.56663%0.634SS**THydrogen-bonded Turntrans-83.7-29.8-170.562.40000114.2F4F4-S7 PolarHBondContact O-OG 3.3Å
8S59.5Low68.1Low87 Ų87116.1 Ų116.161%0.60863%0.626SS**THydrogen-bonded Turntrans-89.6-28.5-171.859.20000114.8W11S8-W11 VanDerWaalsContact O-CD1 3.25Å
9V59.3Low69.5Low114 Ų114112.2 Ų112.269%0.69162%0.616SS**THydrogen-bonded Turntrans-96.9-29.5-177.4-177.30000112
10N69.1Low70.8Confident73 Ų73114 Ų11439%0.3962%0.618SS.*SBendtrans-96.8-6.2-170.7-137.936.2000114.6L6 A12 H13L6-N10 HydrophobicContact CG-CB 4.45Å; L6-N10 WeakPolarHBondContact O-CB 3.19Å; N10-A12 PolarHBondContact O-N 3.33Å; N10-H13 PolarHBondContact O-N 2.97Å
11W73.6Confident72Confident154 Ų154112.8 Ų112.858%0.58361%0.614SS**Hα-helixtrans-66.1-38.4-17882.8-73.9000112.5S8 H13 I14 L15S8-W11 VanDerWaalsContact O-CD1 3.25Å; W11-H13 VanDerWaalsContact C-N 3.28Å; W11-H13 PolarHBondContact O-N 2.96Å; W11-I14 WeakPolarHBondContact O-CB 3.31Å; W11-I14 PolarHBondContact O-N 3.47Å; W11-L15 HydrophobicContact CE3-CD1 3.9Å; W11-L15 HydrophobicContact CE3-CD2 4.08Å; W11-L15 HydrophobicContact CE3-CG 4.06Å; W11-L15 HydrophobicContact CH2-CD1 3.87Å; W11-L15 HydrophobicContact CZ3-CD1 3.52Å; W11-L15 HydrophobicContact CZ3-CD2 3.95Å; W11-L15 HydrophobicContact CZ3-CG 4.06Å; W11-L15 PolarHBondContact O-N 3.41Å
12A81.1Confident74.7Confident46 Ų46105.6 Ų105.638%0.3858%0.579SS.*Hα-helixtrans-64-34-178.200000112N10 I14 L15N10-A12 PolarHBondContact O-N 3.33Å; A12-I14 PolarHBondContact O-N 3.09Å; A12-L15 PolarHBondContact O-N 3.29Å
13H82.9Confident76.9Confident132 Ų132101.3 Ų101.361%0.61156%0.56SS**Hα-helixtrans-70.1-19.2176.4-66.7-60.4000113.4N10 W11 P17N10-H13 PolarHBondContact O-N 2.97Å; W11-H13 VanDerWaalsContact C-N 3.28Å; W11-H13 PolarHBondContact O-N 2.96Å; H13-P17 WeakPolarHBondContact O-CD 3.49Å; H13-P17 WeakPolarHBondContact O-CG 3.25Å
14I81.9Confident79.1Confident93 Ų9399.2 Ų99.248%0.47755%0.546SS..Hα-helixtrans-87.2-26.7178.4-61.4167.3000111.2W11 A12 V16 P17 M18W11-I14 WeakPolarHBondContact O-CB 3.31Å; W11-I14 PolarHBondContact O-N 3.47Å; A12-I14 PolarHBondContact O-N 3.09Å; I14-V16 PolarHBondContact O-N 3.12Å; I14-P17 WeakPolarHBondContact O-CD 3.47Å; I14-M18 HydrophobicContact CG2-CE 4.03Å; I14-M18 VanDerWaalsContact O-CB 3.23Å; I14-M18 WeakPolarHBondContact O-CB 3.38Å; I14-M18 PolarHBondContact O-N 2.78Å
15L87.1Confident80.9Confident85 Ų8597.6 Ų97.645%0.44554%0.536SS..Hα-helixtrans-60.6-45.3-177.1-67.8177000113.1W11 A12 M18 G19W11-L15 HydrophobicContact CE3-CD1 3.9Å; W11-L15 HydrophobicContact CE3-CD2 4.08Å; W11-L15 HydrophobicContact CE3-CG 4.06Å; W11-L15 HydrophobicContact CH2-CD1 3.87Å; W11-L15 HydrophobicContact CZ3-CD1 3.52Å; W11-L15 HydrophobicContact CZ3-CD2 3.95Å; W11-L15 HydrophobicContact CZ3-CG 4.06Å; W11-L15 PolarHBondContact O-N 3.41Å; A12-L15 PolarHBondContact O-N 3.29Å; L15-M18 PolarHBondContact O-N 3.31Å; L15-G19 PolarHBondContact O-N 3.34Å
16V89Confident83Confident117 Ų11798.4 Ų98.471%0.70953%0.529SS*.Hα-helixtrans-67.9-49.9-176.41780000111.4I14 M18 G19 F20I14-V16 PolarHBondContact O-N 3.12Å; V16-M18 VanDerWaalsContact C-N 3.3Å; V16-M18 PolarHBondContact O-N 2.83Å; V16-G19 PolarHBondContact O-N 2.89Å; V16-F20 PolarHBondContact O-N 2.99Å
17P92.3Very high85Confident74 Ų7496.6 Ų96.648%0.48152%0.52SS..Hα-helixtrans-59-39.5173.1-24.934.3000113.2H13 I14 F20 V21H13-P17 WeakPolarHBondContact O-CD 3.49Å; H13-P17 WeakPolarHBondContact O-CG 3.25Å; I14-P17 WeakPolarHBondContact O-CD 3.47Å; P17-F20 PolarHBondContact O-N 3.23Å; P17-V21 WeakPolarHBondContact O-CG2 3.19Å; P17-V21 PolarHBondContact O-N 3.19Å
18M91.9Very high86.6Confident100 Ų10096 Ų9649%0.49351%0.507SS..Hα-helixtrans-65.4-44.4178.1-167.2-161.9-59.200111.4I14 L15 V16 F20 V21 I22I14-M18 HydrophobicContact CG2-CE 4.03Å; I14-M18 VanDerWaalsContact O-CB 3.23Å; I14-M18 WeakPolarHBondContact O-CB 3.38Å; I14-M18 PolarHBondContact O-N 2.78Å; L15-M18 PolarHBondContact O-N 3.31Å; V16-M18 VanDerWaalsContact C-N 3.3Å; V16-M18 PolarHBondContact O-N 2.83Å; M18-F20 VanDerWaalsContact C-N 3.28Å; M18-F20 PolarHBondContact O-N 2.99Å; M18-V21 PolarHBondContact O-N 3.34Å; M18-I22 HydrophobicContact CG-CD1 4Å; M18-I22 VanDerWaalsContact O-CG1 3.3Å; M18-I22 WeakPolarHBondContact O-CG1 3.5Å; M18-I22 PolarHBondContact O-N 3.39Å; M18-I22 HydrophobicContact SD-CD1 4.26Å
19G93.6Very high88.2Confident43 Ų4395 Ų9544%0.44349%0.493SS..Hα-helixtrans-60-3917600000112.4L15 V16 I22 G23L15-G19 PolarHBondContact O-N 3.34Å; V16-G19 PolarHBondContact O-N 2.89Å; G19-I22 PolarHBondContact O-N 3.38Å; G19-G23 PolarHBondContact O-N 3.08Å
20F95.4Very high89.9Confident148 Ų14895.1 Ų95.165%0.64949%0.486SS*.Hα-helixtrans-62.2-47.2173.8176.8-99.3000112.3V16 P17 M18 I22 G23 W24V16-F20 PolarHBondContact O-N 2.99Å; P17-F20 PolarHBondContact O-N 3.23Å; M18-F20 VanDerWaalsContact C-N 3.28Å; M18-F20 PolarHBondContact O-N 2.99Å; F20-I22 VanDerWaalsContact C-N 3.3Å; F20-I22 PolarHBondContact O-N 2.89Å; F20-G23 PolarHBondContact O-N 3.36Å; F20-W24 WeakPolarHBondContact O-CB 3.44Å; F20-W24 PolarHBondContact O-N 3.17Å
21V95.9Very high90.9Very high88 Ų8894.7 Ų94.753%0.53348%0.484SS..Hα-helixtrans-61.2-41.4178.2173.10000111.1P17 M18 Y25P17-V21 WeakPolarHBondContact O-CG2 3.19Å; P17-V21 PolarHBondContact O-N 3.19Å; M18-V21 PolarHBondContact O-N 3.34Å; V21-Y25 WeakPolarHBondContact O-CB 3.48Å; V21-Y25 PolarHBondContact O-N 3.18Å
22I95.7Very high91.6Very high88 Ų8893.2 Ų93.245%0.45148%0.483SS..Hα-helixtrans-64.8-46.2176.8-66.8166.7000110.7M18 G19 F20 Y25 L26M18-I22 HydrophobicContact CG-CD1 4Å; M18-I22 VanDerWaalsContact O-CG1 3.3Å; M18-I22 WeakPolarHBondContact O-CG1 3.5Å; M18-I22 PolarHBondContact O-N 3.39Å; M18-I22 HydrophobicContact SD-CD1 4.26Å; G19-I22 PolarHBondContact O-N 3.38Å; F20-I22 VanDerWaalsContact C-N 3.3Å; F20-I22 PolarHBondContact O-N 2.89Å; I22-Y25 WeakPolarHBondContact O-CB 3.42Å; I22-Y25 PolarHBondContact O-N 3.16Å; I22-L26 HydrophobicContact CG2-CD1 4.18Å; I22-L26 WeakPolarHBondContact O-CG 3.42Å; I22-L26 PolarHBondContact O-N 3.06Å
23G95.8Very high92.1Very high29 Ų2998.7 Ų98.730%0.29950%0.499SS..Hα-helixtrans-58.6-49.517700000112G19 F20 Y25 L26 D27G19-G23 PolarHBondContact O-N 3.08Å; F20-G23 PolarHBondContact O-N 3.36Å; G23-Y25 VanDerWaalsContact C-N 3.26Å; G23-Y25 PolarHBondContact O-N 3.31Å; G23-L26 PolarHBondContact O-N 3.36Å; G23-L26 VanDerWaalsContact O-N 3.11Å; G23-D27 PolarHBondContact O-N 3Å
24W96.2Very high92.3Very high149 Ų14997.9 Ų97.956%0.56450%0.498SS*.Hα-helixtrans-58.6-38.6176.8178.778.4000112.7F20 D27 K28F20-W24 WeakPolarHBondContact O-CB 3.44Å; F20-W24 PolarHBondContact O-N 3.17Å; W24-D27 PolarHBondContact O-N 3.2Å; W24-K28 HydrophobicContact CD2-CG 4.41Å; W24-K28 HydrophobicContact CH2-CG 4.4Å; W24-K28 HydrophobicContact CZ2-CG 4.02Å; W24-K28 PolarHBondContact O-N 3.01Å
25Y95.5Very high92.6Very high135 Ų13595.6 Ų95.653%0.52949%0.488SS..Hα-helixtrans-65.7-42176.4179.4-106.3000112.3V21 I22 G23 K28 Q29V21-Y25 WeakPolarHBondContact O-CB 3.48Å; V21-Y25 PolarHBondContact O-N 3.18Å; I22-Y25 WeakPolarHBondContact O-CB 3.42Å; I22-Y25 PolarHBondContact O-N 3.16Å; G23-Y25 VanDerWaalsContact C-N 3.26Å; G23-Y25 PolarHBondContact O-N 3.31Å; Y25-K28 PolarHBondContact O-N 3.39Å; Y25-Q29 HydrophobicContact CE1-CG 4.33Å; Y25-Q29 PolarHBondContact O-N 3.09Å; Y25-Q29 PolarHBondContact OH-NE2 3.37Å
26L96.1Very high92.5Very high96 Ų9694.6 Ų94.650%0.50349%0.493SS..Hα-helixtrans-65.7-41.5176.7-68.2173.5000111.8I22 G23 K28 Q29 Q30I22-L26 HydrophobicContact CG2-CD1 4.18Å; I22-L26 WeakPolarHBondContact O-CG 3.42Å; I22-L26 PolarHBondContact O-N 3.06Å; G23-L26 PolarHBondContact O-N 3.36Å; G23-L26 VanDerWaalsContact O-N 3.11Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 3.3Å; L26-Q29 WeakPolarHBondContact O-CB 3.38Å; L26-Q29 PolarHBondContact O-N 2.89Å; L26-Q30 PolarHBondContact O-N 3Å
27D94.3Very high92.3Very high96 Ų9697 Ų9751%0.51349%0.494SS..Hα-helixtrans-60.3-44.5174.8-74.8-21.7000110.8G23 W24 Q29 Q30 D31G23-D27 PolarHBondContact O-N 3Å; W24-D27 PolarHBondContact O-N 3.2Å; D27-Q29 VanDerWaalsContact C-N 3.32Å; D27-Q29 PolarHBondContact O-N 3.26Å; D27-Q30 WeakPolarHBondContact O-CB 3.4Å; D27-Q30 PolarHBondContact O-N 3.47Å; D27-D31 PolarHBondContact O-N 3.5Å
28K93.2Very high92Very high69 Ų6996.8 Ų96.830%0.348%0.484SS..Hα-helixtrans-59.8-39174.8-84.4-60-167-171.20113.4W24 Y25 L26 Q30 Q32 K57W24-K28 HydrophobicContact CD2-CG 4.41Å; W24-K28 HydrophobicContact CH2-CG 4.4Å; W24-K28 HydrophobicContact CZ2-CG 4.02Å; W24-K28 PolarHBondContact O-N 3.01Å; Y25-K28 PolarHBondContact O-N 3.39Å; L26-K28 VanDerWaalsContact C-N 3.33Å; L26-K28 PolarHBondContact O-N 3.3Å; K28-Q30 VanDerWaalsContact C-N 3.31Å; K28-Q32 WeakPolarHBondContact O-CG 3.48Å; K28-Q32 PolarHBondContact O-N 3Å; K28-K57 PolarHBondContact NZ-O 3.18Å
29Q93.4Very high91.6Very high66 Ų6693.7 Ų93.731%0.30847%0.469SS..Hα-helixtrans-66.3-35.2174.1-72.2-167-2.400112.4Y25 L26 D27 K33Y25-Q29 HydrophobicContact CE1-CG 4.33Å; Y25-Q29 PolarHBondContact O-N 3.09Å; Y25-Q29 PolarHBondContact OH-NE2 3.37Å; L26-Q29 WeakPolarHBondContact O-CB 3.38Å; L26-Q29 PolarHBondContact O-N 2.89Å; D27-Q29 VanDerWaalsContact C-N 3.32Å; D27-Q29 PolarHBondContact O-N 3.26Å; Q29-K33 WeakPolarHBondContact O-CG 3.38Å; Q29-K33 PolarHBondContact O-N 3.41Å
30Q93.3Very high91.2Very high116 Ų11698.5 Ų98.554%0.54248%0.478SS..Hα-helixtrans-69.7-42.7178.2-166.2169.9-91.400111.3L26 D27 K28 Q32 K33 L34L26-Q30 PolarHBondContact O-N 3Å; D27-Q30 WeakPolarHBondContact O-CB 3.4Å; D27-Q30 PolarHBondContact O-N 3.47Å; K28-Q30 VanDerWaalsContact C-N 3.31Å; Q30-Q32 VanDerWaalsContact C-N 3.27Å; Q30-Q32 PolarHBondContact O-N 3.04Å; Q30-K33 WeakPolarHBondContact O-CB 3.38Å; Q30-K33 PolarHBondContact O-N 3.29Å; Q30-L34 HydrophobicContact CG-CD1 4.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.42Å; Q30-L34 PolarHBondContact O-N 3.23Å; Q30-L34 VanDerWaalsContact O-N 3.09Å
31D91.1Very high90.9Very high64 Ų6493.6 Ų93.634%0.34246%0.462SS..Hα-helixtrans-57.6-41174.6-72.9-20.4000111.9D27 K33 L34 T35D27-D31 PolarHBondContact O-N 3.5Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.93Å; D31-L34 CarbonylContact O-C 3.58Å; D31-L34 PolarHBondContact O-N 3.11Å; D31-L34 VanDerWaalsContact O-N 3.08Å; D31-T35 WeakPolarHBondContact O-CG2 3.46Å
32Q88.7Confident90.6Very high124 Ų12494.8 Ų94.858%0.57948%0.481SS*.Hα-helixtrans-63.4-31.6175.5-73.9-177.7-8.700113.3K28 Q30 L34 T35K28-Q32 WeakPolarHBondContact O-CG 3.48Å; K28-Q32 PolarHBondContact O-N 3Å; Q30-Q32 VanDerWaalsContact C-N 3.27Å; Q30-Q32 PolarHBondContact O-N 3.04Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; Q32-T35 WeakPolarHBondContact O-CG2 3.49Å; Q32-T35 PolarHBondContact O-OG1 3.35Å
33K90.1Very high90.4Very high161 Ų16197.1 Ų97.170%0.749%0.494SS*.Hα-helixtrans-73.7-29.5173.7-66.9171.4-174.3173.10111.6Q29 Q30 D31 T35Q29-K33 WeakPolarHBondContact O-CG 3.38Å; Q29-K33 PolarHBondContact O-N 3.41Å; Q30-K33 WeakPolarHBondContact O-CB 3.38Å; Q30-K33 PolarHBondContact O-N 3.29Å; D31-K33 VanDerWaalsContact C-N 3.29Å; D31-K33 PolarHBondContact O-N 2.93Å; K33-T35 VanDerWaalsContact C-N 3.28Å; K33-T35 PolarHBondContact O-N 2.98Å
34L88.4Confident90Very high114 Ų114103.9 Ų103.960%0.59751%0.511SS*.THydrogen-bonded Turntrans-87.618.7-177.4-64174.2000113.8Q30 D31 Q32 A36Q30-L34 HydrophobicContact CG-CD1 4.25Å; Q30-L34 WeakPolarHBondContact O-CG 3.42Å; Q30-L34 PolarHBondContact O-N 3.23Å; Q30-L34 VanDerWaalsContact O-N 3.09Å; D31-L34 CarbonylContact O-C 3.58Å; D31-L34 PolarHBondContact O-N 3.11Å; D31-L34 VanDerWaalsContact O-N 3.08Å; Q32-L34 VanDerWaalsContact C-N 3.34Å; L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.03Å
35T87.8Confident89.7Confident45 Ų45104.1 Ų104.128%0.27652%0.516SS..G310 helixtrans-81.33.2-17960.30000114.8D31 Q32 K33 F37 R38 W56D31-T35 WeakPolarHBondContact O-CG2 3.46Å; Q32-T35 WeakPolarHBondContact O-CG2 3.49Å; Q32-T35 PolarHBondContact O-OG1 3.35Å; K33-T35 VanDerWaalsContact C-N 3.28Å; K33-T35 PolarHBondContact O-N 2.98Å; T35-F37 PolarHBondContact O-N 3.29Å; T35-F37 VanDerWaalsContact O-N 3.16Å; T35-R38 WeakPolarHBondContact O-CB 3.45Å; T35-R38 PolarHBondContact O-N 3.19Å; T35-W56 HydrophobicContact CG2-CH2 4.36Å; T35-W56 HydrophobicContact CG2-CZ3 4.39Å
36A85.3Confident89.4Confident65 Ų65102.7 Ų102.754%0.53751%0.51SS..G310 helixtrans-56.9-35.2-173.300000113.9L34 K40L34-A36 VanDerWaalsContact C-N 3.27Å; L34-A36 PolarHBondContact O-N 3.03Å; A36-K40 PolarHBondContact O-NZ 3.43Å
37F84.9Confident89Confident167 Ų167106.7 Ų106.773%0.73253%0.526SS*.G310 helixtrans-98.210.2178.8-80.4-84000114.1T35 N39 K40T35-F37 PolarHBondContact O-N 3.29Å; T35-F37 VanDerWaalsContact O-N 3.16Å; F37-N39 PolarHBondContact O-N 3.02Å; F37-K40 PolarHBondContact O-N 3.06Å
38R84.8Confident88.7Confident70 Ų70105.9 Ų105.926%0.26452%0.521SS..THydrogen-bonded Turntrans-62.2128.8178.9-169.5179.471.4-159-6.2110.7T35 K40 V54 T55 W56T35-R38 WeakPolarHBondContact O-CB 3.45Å; T35-R38 PolarHBondContact O-N 3.19Å; R38-K40 PolarHBondContact O-N 3.35Å; R38-V54 VanDerWaalsContact NH1-CB 3.32Å; R38-V54 VanDerWaalsContact NH1-CG1 3.28Å; R38-T55 VanDerWaalsContact CG-OG1 3.25Å; R38-T55 WeakPolarHBondContact CG-OG1 3.39Å; R38-W56 WeakPolarHBondContact CD-O 3.43Å; R38-W56 HydrophobicContact CG-CD2 4.49Å; R38-W56 HydrophobicContact CG-CZ2 4.41Å; R38-W56 PolarHBondContact NH1-O 2.95Å
39N84.6Confident88.5Confident35 Ų35109.6 Ų109.619%0.18754%0.538CS..THydrogen-bonded Turntrans58.622.2-177.8-158.529.3000115.2F37 Y44 K45 R46 T55F37-N39 PolarHBondContact O-N 3.02Å; N39-Y44 PolarHBondContact OD1-O 2.99Å; N39-K45 WeakPolarHBondContact OD1-CA 3.05Å; N39-R46 PolarHBondContact ND2-O 2.87Å; N39-R46 PolarHBondContact OD1-N 2.84Å; N39-R46 PolarHBondContact OD1-O 3.41Å; N39-T55 HydrophobicContact CB-CG2 3.72Å
40K85.6Confident88.2Confident143 Ų143113.1 Ų113.162%0.62257%0.566SS**THydrogen-bonded Turntrans-117.3-8.9179.1-64.9176.7-171.7167.20113.8A36 F37 R38A36-K40 PolarHBondContact O-NZ 3.43Å; F37-K40 PolarHBondContact O-N 3.06Å; R38-K40 PolarHBondContact O-N 3.35Å
41S89.3Confident87.9Confident46 Ų46111.7 Ų111.732%0.32258%0.583SS.*SBendtrans-69.4142.417858.40000110.9L43 Y44 K45S41-L43 PolarHBondContact O-N 2.98Å; S41-L43 VanDerWaalsContact O-N 3.09Å; S41-Y44 PolarHBondContact O-N 3.38Å; S41-Y44 WeakPolarHBondContact OG-CB 3.43Å; S41-Y44 PolarHBondContact OG-N 3.42Å; S41-K45 WeakPolarHBondContact O-CB 3.41Å; S41-K45 PolarHBondContact O-N 3.38Å
42A87.9Confident87.7Confident113 Ų113111.1 Ų111.193%0.93458%0.578SS**THydrogen-bonded Turntrans-57.1-28.4-178.400000113.3
43L91.4Very high87.4Confident136 Ų136113.3 Ų113.371%0.71259%0.588SS**THydrogen-bonded Turntrans-87.6-32.2-176.3-161.3144.5000113.8S41S41-L43 PolarHBondContact O-N 2.98Å; S41-L43 VanDerWaalsContact O-N 3.09Å
44Y88.7Confident87.2Confident171 Ų171107.1 Ų107.167%0.67156%0.564SS**THydrogen-bonded Turntrans-116.83.7-173.2-61-73.5000114.3N39 S41 R46N39-Y44 PolarHBondContact OD1-O 2.99Å; S41-Y44 PolarHBondContact O-N 3.38Å; S41-Y44 WeakPolarHBondContact OG-CB 3.43Å; S41-Y44 PolarHBondContact OG-N 3.42Å; Y44-R46 PolarHBondContact O-N 2.95Å
45K88.6Confident87.1Confident154 Ų154103.3 Ų103.367%0.6755%0.545SS*.  trans-65.3123.5175.4179.5177.1179.6-172.50109.9N39 S41N39-K45 WeakPolarHBondContact OD1-CA 3.05Å; S41-K45 WeakPolarHBondContact O-CB 3.41Å; S41-K45 PolarHBondContact O-N 3.38Å
46R89.8Confident86.9Confident105 Ų105106.8 Ų106.840%0.39655%0.554SS.*  trans-144.7161.6175.661.6175.2177.187.2-4111.5N39 Y44 E52N39-R46 PolarHBondContact ND2-O 2.87Å; N39-R46 PolarHBondContact OD1-N 2.84Å; N39-R46 PolarHBondContact OD1-O 3.41Å; Y44-R46 PolarHBondContact O-N 2.95Å; R46-E52 IonicContact CZ-OE1 3.61Å; R46-E52 IonicContact CZ-OE2 3.53Å; R46-E52 IonicContact NH1-OE1 3.63Å; R46-E52 IonicContact NH1-OE2 2.78Å; R46-E52 PolarHBondContact NH1-OE2 3.28Å; R46-E52 IonicContact NH2-OE1 2.69Å; R46-E52 PolarHBondContact NH2-OE1 3.34Å; R46-E52 IonicContact NH2-OE2 3.34Å; R46-E52 PolarHBondContact NH2-OE2 2.91Å
47E88.2Confident86.7Confident181 Ų181112.1 Ų112.185%0.84657%0.565SS**PPolyproline II helixtrans-66.4140.2166.3-62.5-167.4167.900109.9
48L88.2Confident86.8Confident78 Ų78109.4 Ų109.441%0.40856%0.556SS.*PPolyproline II helixtrans-78.3139179.5-69.8167000109.1E52 T55L48-E52 WeakPolarHBondContact CB-O 3.5Å; L48-E52 HydrophobicContact CD2-CG 4.18Å; L48-T55 HydrophobicContact CD2-CG2 4.01Å
49K88.8Confident86.9Confident148 Ų148111.5 Ų111.564%0.64357%0.572SS**PPolyproline II helixtrans-66.8151.2174.2-68.6179.7-178.9179.10109.5G51 E52K49-G51 PolarHBondContact O-N 3.49Å; K49-G51 VanDerWaalsContact O-N 3.12Å; K49-E52 HydrophobicContact CB-CB 4.2Å; K49-E52 PolarHBondContact N-OE2 3.37Å; K49-E52 WeakPolarHBondContact O-CB 3.23Å; K49-E52 PolarHBondContact O-N 3.46Å
50P87.1Confident87.1Confident139 Ų139115.7 Ų115.790%0.90359%0.593SS**THydrogen-bonded Turntrans-56.6121.9174.321.3-30.9000110
51G86.3Confident87.2Confident87 Ų87114.1 Ų114.190%0.89759%0.591SS**THydrogen-bonded Turntrans91.2-3.8-175.300000115.8K49K49-G51 PolarHBondContact O-N 3.49Å; K49-G51 VanDerWaalsContact O-N 3.12Å
52E86.8Confident87Confident51 Ų51118.4 Ų118.424%0.23861%0.608CS.*  trans-95.5107.8175.1-171.4-178.6-16800110.2R46 L48 K49 V54R46-E52 IonicContact CZ-OE1 3.61Å; R46-E52 IonicContact CZ-OE2 3.53Å; R46-E52 IonicContact NH1-OE1 3.63Å; R46-E52 IonicContact NH1-OE2 2.78Å; R46-E52 PolarHBondContact NH1-OE2 3.28Å; R46-E52 IonicContact NH2-OE1 2.69Å; R46-E52 PolarHBondContact NH2-OE1 3.34Å; R46-E52 IonicContact NH2-OE2 3.34Å; R46-E52 PolarHBondContact NH2-OE2 2.91Å; L48-E52 WeakPolarHBondContact CB-O 3.5Å; L48-E52 HydrophobicContact CD2-CG 4.18Å; K49-E52 HydrophobicContact CB-CB 4.2Å; K49-E52 PolarHBondContact N-OE2 3.37Å; K49-E52 WeakPolarHBondContact O-CB 3.23Å; K49-E52 PolarHBondContact O-N 3.46Å; E52-V54 VanDerWaalsContact CG-O 3.31Å; E52-V54 WeakPolarHBondContact CG-O 3.3Å
53E83.4Confident87Confident171 Ų171118.7 Ų118.780%0.79959%0.586SS**  trans-75.4-29.9177-64.6178.3-179.300112.3
54V85.1Confident86.6Confident30 Ų30117.5 Ų117.518%0.18258%0.577CS.*  trans-147.2143.8-163.4-48.90000111.4R38 E52 W56 K57R38-V54 VanDerWaalsContact NH1-CB 3.32Å; R38-V54 VanDerWaalsContact NH1-CG1 3.28Å; E52-V54 VanDerWaalsContact CG-O 3.31Å; E52-V54 WeakPolarHBondContact CG-O 3.3Å; V54-W56 WeakPolarHBondContact CG2-O 3.28Å; V54-K57 HydrophobicContact CG2-CG 3.91Å
55T86.2Confident86.5Confident35 Ų35113.4 Ų113.422%0.21557%0.57CS.*SBendtrans-76.2-24.9177.953.60000113.8R38 N39 L48R38-T55 VanDerWaalsContact CG-OG1 3.25Å; R38-T55 WeakPolarHBondContact CG-OG1 3.39Å; N39-T55 HydrophobicContact CB-CG2 3.72Å; L48-T55 HydrophobicContact CD2-CG2 4.01Å
56W84.4Confident86.3Confident118 Ų118110 Ų11045%0.44756%0.562SS.*  trans-160.2162.517554.8-95.6000111.6T35 R38 V54T35-W56 HydrophobicContact CG2-CH2 4.36Å; T35-W56 HydrophobicContact CG2-CZ3 4.39Å; R38-W56 WeakPolarHBondContact CD-O 3.43Å; R38-W56 HydrophobicContact CG-CD2 4.49Å; R38-W56 HydrophobicContact CG-CZ2 4.41Å; R38-W56 PolarHBondContact NH1-O 2.95Å; V54-W56 WeakPolarHBondContact CG2-O 3.28Å
57K81.4Confident86Confident177 Ų177110.5 Ų110.577%0.7758%0.577SS**  trans-122.80-172.1-71.7-172179.5-176.50114.1K28 V54K28-K57 PolarHBondContact NZ-O 3.18Å; V54-K57 HydrophobicContact CG2-CG 3.91Å

Retrieved 57 of 57 residues in 66 ms (Link to these results)