A0A087WXR5_HUMAN Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 5

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 A0A087WXR5, Species HUMAN (Homo sapiens, Human), Gene NDUFA5, Length 77 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M45.2Very low46.5Very low191 Ų19189.9 Ų89.994%0.94152%0.516SS*.  0-31.70-61.4-61.7-97.200113.8G3 V4M1-G3 PolarHBondContact O-N 3.35Å; M1-G3 VanDerWaalsContact O-N 3.14Å; M1-V4 PolarHBondContact O-N 3Å; M1-V4 HydrophobicContact SD-CG2 4.45Å
2A43.6Very low46.8Very low82 Ų8290.9 Ų90.968%0.67853%0.525SS*.Hα-helixtrans-54.4-30170.700000114.2V4 K6A2-V4 VanDerWaalsContact C-N 3.33Å; A2-V4 PolarHBondContact O-N 3.02Å; A2-K6 PolarHBondContact O-N 2.64Å
3G44.9Very low46.9Very low41 Ų4186.8 Ų86.842%0.42352%0.515SS..Hα-helixtrans-71.9-19174.700000115.2M1 K7M1-G3 PolarHBondContact O-N 3.35Å; M1-G3 VanDerWaalsContact O-N 3.14Å; G3-K7 VanDerWaalsContact O-CG 3.28Å; G3-K7 WeakPolarHBondContact O-CG 3.26Å; G3-K7 PolarHBondContact O-N 2.94Å
4V48.4Very low46.7Very low81 Ų8188.7 Ų88.749%0.49152%0.52SS..Hα-helixtrans-78.1-45175.5178.50000109.3M1 A2 K6 K7 T8M1-V4 PolarHBondContact O-N 3Å; M1-V4 HydrophobicContact SD-CG2 4.45Å; A2-V4 VanDerWaalsContact C-N 3.33Å; A2-V4 PolarHBondContact O-N 3.02Å; V4-K6 PolarHBondContact O-N 3.19Å; V4-K7 CarbonylContact O-C 3.58Å; V4-K7 WeakPolarHBondContact O-CA 3.48Å; V4-K7 WeakPolarHBondContact O-CB 3.23Å; V4-K7 PolarHBondContact O-N 3.4Å; V4-T8 HydrophobicContact CG1-CG2 4.14Å; V4-T8 WeakPolarHBondContact O-CG2 3.42Å; V4-T8 PolarHBondContact O-N 3.14Å; V4-T8 PolarHBondContact O-OG1 3.36Å
5L46.8Very low46.7Very low41 Ų4185.5 Ų85.522%0.21551%0.508CS..Hα-helixtrans-57.3-45.4172.8-90165.7000112.5K7 T8 T9 W61L5-K7 PolarHBondContact O-N 3.35Å; L5-T8 PolarHBondContact O-N 2.99Å; L5-T8 VanDerWaalsContact O-N 3.16Å; L5-T8 PolarHBondContact O-OG1 3.02Å; L5-T9 HydrophobicContact CD2-CG2 4.22Å; L5-T9 PolarHBondContact O-N 3.16Å; L5-T9 PolarHBondContact O-OG1 2.92Å; L5-W61 HydrophobicContact CD1-CB 3.54Å; L5-W61 HydrophobicContact CD1-CD2 4.19Å; L5-W61 HydrophobicContact CD1-CE3 3.6Å; L5-W61 HydrophobicContact CD1-CG 4.23Å
6K47.2Very low47.1Very low145 Ų14585.1 Ų85.163%0.6351%0.506SS*.Hα-helixtrans-57.1-33.2173.6-82.4-168.3172.7-167.90113.4A2 V4A2-K6 PolarHBondContact O-N 2.64Å; V4-K6 PolarHBondContact O-N 3.19Å
7K50.6Low47.5Very low177 Ų17781.7 Ų81.777%0.7749%0.487SS*.Hα-helixtrans-80.4-30.4178.2-73.5176.2179.9-170.20112.8G3 V4 L5G3-K7 VanDerWaalsContact O-CG 3.28Å; G3-K7 WeakPolarHBondContact O-CG 3.26Å; G3-K7 PolarHBondContact O-N 2.94Å; V4-K7 CarbonylContact O-C 3.58Å; V4-K7 WeakPolarHBondContact O-CA 3.48Å; V4-K7 WeakPolarHBondContact O-CB 3.23Å; V4-K7 PolarHBondContact O-N 3.4Å; L5-K7 PolarHBondContact O-N 3.35Å
8T42.5Very low48.2Very low102 Ų10286.6 Ų86.663%0.62651%0.511SS*.Hα-helixtrans-95.5-25.6-174.4590000114.2V4 L5 G10V4-T8 HydrophobicContact CG1-CG2 4.14Å; V4-T8 WeakPolarHBondContact O-CG2 3.42Å; V4-T8 PolarHBondContact O-N 3.14Å; V4-T8 PolarHBondContact O-OG1 3.36Å; L5-T8 PolarHBondContact O-N 2.99Å; L5-T8 VanDerWaalsContact O-N 3.16Å; L5-T8 PolarHBondContact O-OG1 3.02Å; T8-G10 PolarHBondContact O-N 3.48Å
9T48.1Very low48.8Very low48 Ų4884.9 Ų84.929%0.29450%0.501SS..SBendtrans-81.6-2.9174.851.90000113.2L5 L11 M55L5-T9 HydrophobicContact CD2-CG2 4.22Å; L5-T9 PolarHBondContact O-N 3.16Å; L5-T9 PolarHBondContact O-OG1 2.92Å; T9-L11 PolarHBondContact O-N 3.37Å; T9-L11 VanDerWaalsContact O-N 3.09Å; T9-M55 HydrophobicContact CG2-CE 3.32Å; T9-M55 HydrophobicContact CG2-SD 3.99Å
10G46.7Very low49.6Very low37 Ų3783.4 Ų83.438%0.38149%0.494SS..  trans63.411.4-173.300000113.4T8 V12T8-G10 PolarHBondContact O-N 3.48Å; G10-V12 PolarHBondContact O-N 3.03Å; G10-V12 VanDerWaalsContact O-O 3.13Å
11L47.1Very low50.4Low44 Ų4488.2 Ų88.223%0.2351%0.511CS..  trans-71.943.5168.7-69.4172.2000110.7T9 E48 M55T9-L11 PolarHBondContact O-N 3.37Å; T9-L11 VanDerWaalsContact O-N 3.09Å; L11-E48 HydrophobicContact CD2-CB 3.78Å; L11-E48 HydrophobicContact CD2-CG 3.63Å; L11-M55 HydrophobicContact CD1-SD 4.23Å
12V50.7Low51.6Low102 Ų10285.8 Ų85.862%0.61850%0.497SS*.SBendtrans-79106.4143.7-175.90000101.2G10 L14G10-V12 PolarHBondContact O-N 3.03Å; G10-V12 VanDerWaalsContact O-O 3.13Å; V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 WeakPolarHBondContact O-CA 3.49Å; V12-L14 PolarHBondContact O-N 3.49Å
13G47.7Very low52.9Low38 Ų3885 Ų8539%0.39248%0.48SS..  trans-42.5106.1173.300000107.1A15G13-A15 PolarHBondContact O-N 3.29Å
14L44Very low54.3Low113 Ų11389.1 Ų89.159%0.59250%0.499SS*.THydrogen-bonded Turntrans-79.185.7-154.1-137150000104.5V12V12-L14 VanDerWaalsContact C-N 3.31Å; V12-L14 WeakPolarHBondContact O-CA 3.49Å; V12-L14 PolarHBondContact O-N 3.49Å
15A47.7Very low56Low41 Ų4188.4 Ų88.434%0.33949%0.492SS..THydrogen-bonded Turntrans5384.8-164.900000112.8G13 L33G13-A15 PolarHBondContact O-N 3.29Å; A15-L33 HydrophobicContact CB-CB 4.32Å; A15-L33 HydrophobicContact CB-CG 4.1Å; A15-L33 WeakPolarHBondContact CB-O 3.02Å; A15-L33 WeakPolarHBondContact O-CD2 3.35Å; A15-L33 WeakPolarHBondContact O-CG 3.44Å
16V52.1Low57.5Low79 Ų7990.5 Ų90.548%0.47951%0.506SS..  trans-102.5125.9146-179.80000104N18V16-N18 PolarHBondContact O-N 3.16Å
17C54.5Low59.1Low27 Ų2790.7 Ų90.718%0.18251%0.507CS..  trans-43.2128.2167.7171.60000107.8T19 P20 L29 L33C17-T19 PolarHBondContact O-N 3.35Å; C17-T19 PolarHBondContact SG-N 3.32Å; C17-T19 VanDerWaalsContact SG-N 3.35Å; C17-T19 PolarHBondContact SG-O 3.26Å; C17-P20 HydrophobicContact CB-CB 4.35Å; C17-P20 VanDerWaalsContact O-CD 3.31Å; C17-P20 WeakPolarHBondContact O-CD 3.41Å; C17-L29 HydrophobicContact CB-CD1 3.75Å; C17-L33 HydrophobicContact CB-CD1 3.98Å
18N60.2Low60.6Low170 Ų17087.6 Ų87.691%0.90949%0.494SS*.SBendtrans-57.3-19.9-179.8-71.8-40.6000111.5V16V16-N18 PolarHBondContact O-N 3.16Å
19T60Low62.2Low54 Ų5483.5 Ų83.533%0.33147%0.468SS..  trans-140.869.9-176.745.10000111C17 H21 E22C17-T19 PolarHBondContact O-N 3.35Å; C17-T19 PolarHBondContact SG-N 3.32Å; C17-T19 VanDerWaalsContact SG-N 3.35Å; C17-T19 PolarHBondContact SG-O 3.26Å; T19-H21 PolarHBondContact O-N 3.18Å; T19-E22 VanDerWaalsContact CB-OE2 3.23Å; T19-E22 WeakPolarHBondContact CB-OE2 3.31Å; T19-E22 HydrophobicContact CG2-CG 4.41Å; T19-E22 WeakPolarHBondContact CG2-OE1 3.48Å; T19-E22 WeakPolarHBondContact O-CB 3.41Å; T19-E22 PolarHBondContact O-N 2.92Å; T19-E22 PolarHBondContact OG1-OE2 3.37Å
20P64.6Low63.6Low54 Ų5483.5 Ų83.535%0.35147%0.465SS..THydrogen-bonded Turntrans-66.2-13-17530.2-34.1000113.1C17C17-P20 HydrophobicContact CB-CB 4.35Å; C17-P20 VanDerWaalsContact O-CD 3.31Å; C17-P20 WeakPolarHBondContact O-CD 3.41Å
21H66.7Low65.1Low185 Ų18588 Ų8886%0.85648%0.48SS*.THydrogen-bonded Turntrans-84.2-8.4176.4-56.3108.6000113.9T19T19-H21 PolarHBondContact O-N 3.18Å
22E69.5Low66.5Low140 Ų14090.9 Ų90.965%0.65449%0.492SS*.SBendtrans-82.9-26.7-178.5-75.4176.6176.400112.9T19 P24T19-E22 VanDerWaalsContact CB-OE2 3.23Å; T19-E22 WeakPolarHBondContact CB-OE2 3.31Å; T19-E22 HydrophobicContact CG2-CG 4.41Å; T19-E22 WeakPolarHBondContact CG2-OE1 3.48Å; T19-E22 WeakPolarHBondContact O-CB 3.41Å; T19-E22 PolarHBondContact O-N 2.92Å; T19-E22 PolarHBondContact OG1-OE2 3.37Å; E22-P24 WeakPolarHBondContact O-CD 3.39Å
23E71.1Confident67.5Low67 Ų6786.5 Ų86.531%0.31347%0.466SS..  trans-105.3108.1178.4-74.6-69.4176.100110.5D25E23-D25 PolarHBondContact O-N 2.8Å
24P74.6Confident68.4Low127 Ų12793.5 Ų93.583%0.82549%0.488SS*.  trans-76.1-10.7178.330.9-34.9000113.1E22E22-P24 WeakPolarHBondContact O-CD 3.39Å
25D83.5Confident69.4Low66 Ų6689.6 Ų89.635%0.35348%0.475SS..  trans-96.6114.1-178.4-171.40.2000111.4E23 K27 K28 L29E23-D25 PolarHBondContact O-N 2.8Å; D25-K27 VanDerWaalsContact C-N 3.3Å; D25-K27 PolarHBondContact O-N 2.74Å; D25-K27 PolarHBondContact OD1-N 2.72Å; D25-K28 HydrophobicContact CB-CB 4.35Å; D25-K28 HydrophobicContact CB-CD 4.13Å; D25-K28 HydrophobicContact CB-CG 4.22Å; D25-K28 PolarHBondContact O-N 3.05Å; D25-K28 WeakPolarHBondContact OD2-CE 3.46Å; D25-L29 PolarHBondContact O-N 3.49Å; D25-L29 VanDerWaalsContact O-N 3.16Å
26V79.4Confident70.7Confident84 Ų8489.9 Ų89.951%0.50948%0.482SS..Hα-helixtrans-54.9-43-179.2178.60000111.6L29 E30 L38V26-L29 WeakPolarHBondContact O-CB 2.84Å; V26-L29 PolarHBondContact O-N 2.95Å; V26-E30 WeakPolarHBondContact O-CG 3.28Å; V26-E30 PolarHBondContact O-N 3.41Å; V26-L38 HydrophobicContact CB-CD1 4.32Å; V26-L38 HydrophobicContact CG1-CD1 3.45Å; V26-L38 VanDerWaalsContact CG1-CD1 3.45Å
27K80.8Confident72Confident149 Ų14991.7 Ų91.765%0.64849%0.485SS*.Hα-helixtrans-69.4-40.1-175-69.6-174.8176.2-174.70112.8D25 L29 E30 D31D25-K27 VanDerWaalsContact C-N 3.3Å; D25-K27 PolarHBondContact O-N 2.74Å; D25-K27 PolarHBondContact OD1-N 2.72Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 3.14Å; K27-E30 PolarHBondContact O-N 3.17Å; K27-D31 PolarHBondContact O-N 3Å
28K80.5Confident73.1Confident112 Ų11292 Ų9249%0.48749%0.485SS..Hα-helixtrans-67.1-35.6176.7-67.1-177.8-172.61750111.4D25 D31 Q32D25-K28 HydrophobicContact CB-CB 4.35Å; D25-K28 HydrophobicContact CB-CD 4.13Å; D25-K28 HydrophobicContact CB-CG 4.22Å; D25-K28 PolarHBondContact O-N 3.05Å; D25-K28 WeakPolarHBondContact OD2-CE 3.46Å; K28-D31 PolarHBondContact O-N 2.83Å; K28-Q32 WeakPolarHBondContact O-CB 3.17Å; K28-Q32 VanDerWaalsContact O-CG 3.26Å; K28-Q32 WeakPolarHBondContact O-CG 2.94Å; K28-Q32 PolarHBondContact O-N 2.91Å
29L77.4Confident74.1Confident17 Ų1790.1 Ų90.19%0.08947%0.471CS..Hα-helixtrans-65.7-41.8176.6-171.665.7000111.1C17 D25 V26 K27 Q32 L33 L38C17-L29 HydrophobicContact CB-CD1 3.75Å; D25-L29 PolarHBondContact O-N 3.49Å; D25-L29 VanDerWaalsContact O-N 3.16Å; V26-L29 WeakPolarHBondContact O-CB 2.84Å; V26-L29 PolarHBondContact O-N 2.95Å; K27-L29 VanDerWaalsContact C-N 3.28Å; K27-L29 PolarHBondContact O-N 3.14Å; L29-Q32 PolarHBondContact O-N 3.34Å; L29-L33 HydrophobicContact CD1-CD1 3.91Å; L29-L33 HydrophobicContact CG-CD1 4.05Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CD1 3.4Å; L29-L33 PolarHBondContact O-N 3.16Å; L29-L38 HydrophobicContact CD2-CD1 4.1Å; L29-L38 HydrophobicContact CD2-CD2 4.02Å
30E76.9Confident75Confident48 Ų4893 Ų9322%0.22448%0.481CS..Hα-helixtrans-62.4-46.2174-70.5175.2155.700112.3V26 K27 Q32 L33 Q34 L38V26-E30 WeakPolarHBondContact O-CG 3.28Å; V26-E30 PolarHBondContact O-N 3.41Å; K27-E30 PolarHBondContact O-N 3.17Å; E30-Q32 VanDerWaalsContact C-N 3.27Å; E30-Q32 PolarHBondContact O-N 3.48Å; E30-L33 PolarHBondContact O-N 2.91Å; E30-L33 VanDerWaalsContact O-N 3.16Å; E30-Q34 PolarHBondContact O-N 3.09Å; E30-Q34 VanDerWaalsContact O-N 3.14Å; E30-L38 HydrophobicContact CG-CB 4.34Å; E30-L38 HydrophobicContact CG-CD1 3.67Å; E30-L38 HydrophobicContact CG-CG 3.81Å; E30-L38 PolarHBondContact OE1-N 3.26Å
31D78.4Confident75.8Confident131 Ų13191.4 Ų91.470%0.70147%0.47SS*.Hα-helixtrans-60.5-37.6176.5-73.6-24.7000112K27 K28K27-D31 PolarHBondContact O-N 3Å; K28-D31 PolarHBondContact O-N 2.83Å
32Q75.4Confident76.5Confident105 Ų10587.3 Ų87.349%0.49145%0.453SS..Hα-helixtrans-71.4-36.3175.8-77.7177.5-2.800112.7K28 L29 E30 Q34K28-Q32 WeakPolarHBondContact O-CB 3.17Å; K28-Q32 VanDerWaalsContact O-CG 3.26Å; K28-Q32 WeakPolarHBondContact O-CG 2.94Å; K28-Q32 PolarHBondContact O-N 2.91Å; L29-Q32 PolarHBondContact O-N 3.34Å; E30-Q32 VanDerWaalsContact C-N 3.27Å; E30-Q32 PolarHBondContact O-N 3.48Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å
33L72.4Confident77.2Confident10 Ų1085 Ų855%0.05245%0.445CS..Hα-helixtrans-72.8-24.9-178.7-106.582.8000112.7A15 C17 L29 E30 G35 V41A15-L33 HydrophobicContact CB-CB 4.32Å; A15-L33 HydrophobicContact CB-CG 4.1Å; A15-L33 WeakPolarHBondContact CB-O 3.02Å; A15-L33 WeakPolarHBondContact O-CD2 3.35Å; A15-L33 WeakPolarHBondContact O-CG 3.44Å; C17-L33 HydrophobicContact CB-CD1 3.98Å; L29-L33 HydrophobicContact CD1-CD1 3.91Å; L29-L33 HydrophobicContact CG-CD1 4.05Å; L29-L33 WeakPolarHBondContact O-CB 3.47Å; L29-L33 WeakPolarHBondContact O-CD1 3.4Å; L29-L33 PolarHBondContact O-N 3.16Å; E30-L33 PolarHBondContact O-N 2.91Å; E30-L33 VanDerWaalsContact O-N 3.16Å; L33-G35 PolarHBondContact O-N 3.24Å; L33-V41 HydrophobicContact CD2-CB 4.11Å; L33-V41 HydrophobicContact CD2-CG1 3.43Å; L33-V41 VanDerWaalsContact CD2-CG1 3.43Å; L33-V41 HydrophobicContact CD2-CG2 3.67Å
34Q67.4Low77.7Confident185 Ų18585.7 Ų85.786%0.86445%0.448SS*.THydrogen-bonded Turntrans5025.5-175-57.8-172.6-24.300113.1E30 Q32E30-Q34 PolarHBondContact O-N 3.09Å; E30-Q34 VanDerWaalsContact O-N 3.14Å; Q32-Q34 VanDerWaalsContact C-N 3.33Å
35G65.3Low78Confident31 Ų3181.9 Ų81.932%0.3243%0.427SS..SBendtrans-114.713.2-167.600000114L33L33-G35 PolarHBondContact O-N 3.24Å
36G74.8Confident78.2Confident47 Ų4784 Ų8449%0.48544%0.435SS..SBendtrans84.9-146.2-17300000112.2
37Q78.6Confident78.5Confident116 Ų11685.5 Ų85.554%0.54244%0.436SS..  trans-77.7149.9177.7-66.7-177.8-7.700111.2E39 E40 V41Q37-E39 PolarHBondContact O-N 2.99Å; Q37-E40 PolarHBondContact O-N 3.32Å; Q37-E40 VanDerWaalsContact O-N 3.11Å; Q37-V41 PolarHBondContact O-N 3.11Å
38L77.1Confident78.6Confident35 Ų3580.5 Ų80.518%0.18342%0.415CS..Hα-helixtrans-58.8-31.6179.4-98152.7000113.7V26 L29 E30 V41 I42V26-L38 HydrophobicContact CB-CD1 4.32Å; V26-L38 HydrophobicContact CG1-CD1 3.45Å; V26-L38 VanDerWaalsContact CG1-CD1 3.45Å; L29-L38 HydrophobicContact CD2-CD1 4.1Å; L29-L38 HydrophobicContact CD2-CD2 4.02Å; E30-L38 HydrophobicContact CG-CB 4.34Å; E30-L38 HydrophobicContact CG-CD1 3.67Å; E30-L38 HydrophobicContact CG-CG 3.81Å; E30-L38 PolarHBondContact OE1-N 3.26Å; L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 PolarHBondContact O-N 3.22Å; L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.36Å
39E82Confident78.8Confident129 Ų12979.6 Ų79.660%0.60342%0.415SS*.Hα-helixtrans-62.5-41.7176.3-67.483.217300112.1Q37 V41 I42 L43Q37-E39 PolarHBondContact O-N 2.99Å; E39-V41 VanDerWaalsContact C-N 3.33Å; E39-I42 PolarHBondContact O-N 3.3Å; E39-L43 WeakPolarHBondContact O-CB 3.39Å; E39-L43 PolarHBondContact O-N 2.9Å
40E79.7Confident79.3Confident116 Ų11682.2 Ų82.254%0.54243%0.429SS..Hα-helixtrans-67-38.7177.7-64.2-177.3173.500110.7Q37 L43 Q44Q37-E40 PolarHBondContact O-N 3.32Å; Q37-E40 VanDerWaalsContact O-N 3.11Å; E40-L43 PolarHBondContact O-N 3.38Å; E40-Q44 WeakPolarHBondContact O-CB 3.44Å; E40-Q44 PolarHBondContact O-N 2.87Å
41V80.1Confident79.7Confident20 Ų2083 Ų8312%0.12143%0.434CS..Hα-helixtrans-63.4-44.9176.1174.90000111.3L33 Q37 L38 E39 L43 Q44 A45L33-V41 HydrophobicContact CD2-CB 4.11Å; L33-V41 HydrophobicContact CD2-CG1 3.43Å; L33-V41 VanDerWaalsContact CD2-CG1 3.43Å; L33-V41 HydrophobicContact CD2-CG2 3.67Å; Q37-V41 PolarHBondContact O-N 3.11Å; L38-V41 WeakPolarHBondContact O-CB 3.5Å; L38-V41 PolarHBondContact O-N 3.22Å; E39-V41 VanDerWaalsContact C-N 3.33Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-Q44 PolarHBondContact O-N 3.24Å; V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.14Å
42I82.4Confident79.9Confident99 Ų9979.1 Ų79.151%0.50842%0.421SS..Hα-helixtrans-62.3-45.7178-68.8164.4000109.9L38 E39 Q44 A45 E46L38-I42 VanDerWaalsContact O-CG1 3.3Å; L38-I42 WeakPolarHBondContact O-CG1 3.42Å; L38-I42 PolarHBondContact O-N 3.36Å; E39-I42 PolarHBondContact O-N 3.3Å; I42-Q44 VanDerWaalsContact C-N 3.34Å; I42-Q44 PolarHBondContact O-N 3.04Å; I42-A45 WeakPolarHBondContact O-CB 3.3Å; I42-A45 PolarHBondContact O-N 2.84Å; I42-E46 PolarHBondContact O-N 3.45Å
43L84.1Confident80.4Confident91 Ų9181.2 Ų81.248%0.47642%0.424SS..Hα-helixtrans-62-42.3178.3-176.164.9000111.7E39 E40 V41 A45 E46 H47E39-L43 WeakPolarHBondContact O-CB 3.39Å; E39-L43 PolarHBondContact O-N 2.9Å; E40-L43 PolarHBondContact O-N 3.38Å; V41-L43 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.35Å; L43-E46 PolarHBondContact O-N 3.43Å; L43-H47 PolarHBondContact O-CD2 2.84Å; L43-H47 PolarHBondContact O-N 2.94Å
44Q80.6Confident81Confident81 Ų8185.9 Ų85.938%0.37944%0.444SS..Hα-helixtrans-61.9-43.2174.9-178.7173.9-21.400111.5E40 V41 I42 E46 H47 E48E40-Q44 WeakPolarHBondContact O-CB 3.44Å; E40-Q44 PolarHBondContact O-N 2.87Å; V41-Q44 PolarHBondContact O-N 3.24Å; I42-Q44 VanDerWaalsContact C-N 3.34Å; I42-Q44 PolarHBondContact O-N 3.04Å; Q44-E46 VanDerWaalsContact C-N 3.29Å; Q44-E46 PolarHBondContact O-N 2.95Å; Q44-H47 PolarHBondContact O-N 3.5Å; Q44-H47 VanDerWaalsContact O-N 3.14Å; Q44-E48 HydrophobicContact CG-CG 4.37Å; Q44-E48 PolarHBondContact NE2-OE1 3.36Å; Q44-E48 WeakPolarHBondContact O-CG 3.48Å; Q44-E48 PolarHBondContact O-N 3.2Å
45A82.2Confident81.7Confident48 Ų4878.4 Ų78.440%0.39741%0.409SS..Hα-helixtrans-60.4-38.2177.500000112.1V41 I42 L43 L49V41-A45 WeakPolarHBondContact O-CB 3.47Å; V41-A45 PolarHBondContact O-N 3.14Å; I42-A45 WeakPolarHBondContact O-CB 3.3Å; I42-A45 PolarHBondContact O-N 2.84Å; L43-A45 PolarHBondContact O-N 3.35Å; A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 3.06Å
46E85.9Confident82.3Confident110 Ų11086.5 Ų86.551%0.51443%0.43SS..Hα-helixtrans-66.5-42.1173.6-70-172.6166.400112.5I42 L43 Q44 L49 N50I42-E46 PolarHBondContact O-N 3.45Å; L43-E46 PolarHBondContact O-N 3.43Å; Q44-E46 VanDerWaalsContact C-N 3.29Å; Q44-E46 PolarHBondContact O-N 2.95Å; E46-L49 PolarHBondContact O-N 3.18Å; E46-N50 WeakPolarHBondContact O-CB 3.32Å; E46-N50 PolarHBondContact O-N 3.03Å; E46-N50 PolarHBondContact O-ND2 3.31Å
47H85.7Confident82.7Confident116 Ų11691.5 Ų91.554%0.53744%0.441SS..Hα-helixtrans-63-42.8175.4-72.6-46.5000111.8L43 Q44 N50 L51L43-H47 PolarHBondContact O-CD2 2.84Å; L43-H47 PolarHBondContact O-N 2.94Å; Q44-H47 PolarHBondContact O-N 3.5Å; Q44-H47 VanDerWaalsContact O-N 3.14Å; H47-N50 PolarHBondContact O-N 2.89Å; H47-L51 WeakPolarHBondContact O-CB 3.33Å; H47-L51 PolarHBondContact O-N 2.86Å
48E83.6Confident82.8Confident44 Ų4493 Ų9321%0.20644%0.442CS..Hα-helixtrans-63.6-43175.8-74.8-174.8-164.800112.1L11 Q44 N50 L51 A52L11-E48 HydrophobicContact CD2-CB 3.78Å; L11-E48 HydrophobicContact CD2-CG 3.63Å; Q44-E48 HydrophobicContact CG-CG 4.37Å; Q44-E48 PolarHBondContact NE2-OE1 3.36Å; Q44-E48 WeakPolarHBondContact O-CG 3.48Å; Q44-E48 PolarHBondContact O-N 3.2Å; E48-N50 VanDerWaalsContact C-N 3.33Å; E48-N50 PolarHBondContact O-N 3.2Å; E48-L51 PolarHBondContact O-N 3.12Å; E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3.29Å
49L84.4Confident82.9Confident92 Ų9296 Ų9648%0.48245%0.454SS..Hα-helixtrans-59.6-46175.7-173.687.1000111.1A45 E46 L51 A52 R53A45-L49 WeakPolarHBondContact O-CB 3.39Å; A45-L49 PolarHBondContact O-N 3.06Å; E46-L49 PolarHBondContact O-N 3.18Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L49-A52 PolarHBondContact O-N 3.43Å; L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 3.13Å; L49-R53 VanDerWaalsContact O-N 3.13Å
50N88.1Confident82.3Confident73 Ų7394.3 Ų94.339%0.3945%0.448SS..Hα-helixtrans-66.3-38.2178.2-76.4-40.1000111.9E46 H47 E48 R53 K54E46-N50 WeakPolarHBondContact O-CB 3.32Å; E46-N50 PolarHBondContact O-N 3.03Å; E46-N50 PolarHBondContact O-ND2 3.31Å; H47-N50 PolarHBondContact O-N 2.89Å; E48-N50 VanDerWaalsContact C-N 3.33Å; E48-N50 PolarHBondContact O-N 3.2Å; N50-R53 PolarHBondContact O-N 3.42Å; N50-K54 WeakPolarHBondContact O-CG 3.26Å; N50-K54 PolarHBondContact O-N 3.23Å; N50-K54 VanDerWaalsContact O-N 3.13Å
51L84.7Confident82.2Confident63 Ų6395.5 Ų95.533%0.3345%0.448SS..Hα-helixtrans-63.1-47.8174.7-177.365.2000110.9H47 E48 L49 R53 K54 M55 W58H47-L51 WeakPolarHBondContact O-CB 3.33Å; H47-L51 PolarHBondContact O-N 2.86Å; E48-L51 PolarHBondContact O-N 3.12Å; L49-L51 VanDerWaalsContact C-N 3.35Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 2.84Å; L51-K54 PolarHBondContact O-N 2.8Å; L51-K54 VanDerWaalsContact O-N 3.09Å; L51-M55 HydrophobicContact CD1-CE 3.88Å; L51-M55 HydrophobicContact CD1-CG 4.38Å; L51-M55 HydrophobicContact CD2-CE 3.66Å; L51-M55 HydrophobicContact CG-CE 3.62Å; L51-M55 HydrophobicContact CG-CG 4.26Å; L51-M55 HydrophobicContact CG-SD 4.25Å; L51-M55 VanDerWaalsContact O-CG 3.29Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.09Å; L51-W58 HydrophobicContact CD1-CZ3 4.43Å
52A83.4Confident82Confident50 Ų5099.6 Ų99.641%0.41347%0.466SS..Hα-helixtrans-58.9-37.817900000112.3E48 L49 R56E48-A52 WeakPolarHBondContact O-CB 3.42Å; E48-A52 PolarHBondContact O-N 3.29Å; L49-A52 PolarHBondContact O-N 3.43Å; A52-R56 PolarHBondContact O-N 3.13Å
53R86.2Confident81.9Confident150 Ų150100.4 Ų100.457%0.56648%0.477SS*.Hα-helixtrans-62.4-48.5173.2-72172.1177.1174.1-2.1111.6L49 N50 L51 R56L49-R53 WeakPolarHBondContact O-CG 3.29Å; L49-R53 PolarHBondContact O-N 3.13Å; L49-R53 VanDerWaalsContact O-N 3.13Å; N50-R53 PolarHBondContact O-N 3.42Å; L51-R53 VanDerWaalsContact C-N 3.26Å; L51-R53 PolarHBondContact O-N 2.84Å; R53-R56 WeakPolarHBondContact O-CB 3.44Å; R53-R56 PolarHBondContact O-N 3.45Å
54K85.1Confident81.6Confident108 Ų108103.2 Ų103.247%0.4749%0.492SS..Hα-helixtrans-65.4-38.7178.2-69.8177.8-179.8-179.20112.7N50 L51 R56 E57 W58N50-K54 WeakPolarHBondContact O-CG 3.26Å; N50-K54 PolarHBondContact O-N 3.23Å; N50-K54 VanDerWaalsContact O-N 3.13Å; L51-K54 PolarHBondContact O-N 2.8Å; L51-K54 VanDerWaalsContact O-N 3.09Å; K54-R56 PolarHBondContact O-N 3.01Å; K54-E57 WeakPolarHBondContact O-CB 3.43Å; K54-E57 PolarHBondContact O-N 3.42Å; K54-W58 HydrophobicContact CB-CD2 4.28Å; K54-W58 HydrophobicContact CB-CE3 4.29Å; K54-W58 HydrophobicContact CB-CH2 4.11Å; K54-W58 HydrophobicContact CB-CZ2 4.06Å; K54-W58 HydrophobicContact CB-CZ3 4.21Å; K54-W58 HydrophobicContact CD-CH2 4.1Å; K54-W58 HydrophobicContact CD-CZ2 4.09Å; K54-W58 HydrophobicContact CG-CZ2 4.48Å; K54-W58 PolarHBondContact O-N 3.07Å
55M81.1Confident81.3Confident27 Ų27106.2 Ų106.213%0.13352%0.515CS..Hα-helixtrans-59.4-30.7176.3-73.1-171.1170.500112.3T9 L11 L51 E57 K59 L60 W61T9-M55 HydrophobicContact CG2-CE 3.32Å; T9-M55 HydrophobicContact CG2-SD 3.99Å; L11-M55 HydrophobicContact CD1-SD 4.23Å; L51-M55 HydrophobicContact CD1-CE 3.88Å; L51-M55 HydrophobicContact CD1-CG 4.38Å; L51-M55 HydrophobicContact CD2-CE 3.66Å; L51-M55 HydrophobicContact CG-CE 3.62Å; L51-M55 HydrophobicContact CG-CG 4.26Å; L51-M55 HydrophobicContact CG-SD 4.25Å; L51-M55 VanDerWaalsContact O-CG 3.29Å; L51-M55 WeakPolarHBondContact O-CG 3.39Å; L51-M55 PolarHBondContact O-N 3.09Å; M55-E57 VanDerWaalsContact C-N 3.32Å; M55-K59 PolarHBondContact O-N 3.25Å; M55-K59 VanDerWaalsContact O-N 3.12Å; M55-L60 HydrophobicContact CB-CD1 4.41Å; M55-L60 HydrophobicContact CE-CD1 4.28Å; M55-L60 HydrophobicContact CG-CD1 3.82Å; M55-L60 HydrophobicContact SD-CD1 4.47Å; M55-W61 VanDerWaalsContact O-CZ3 3.26Å; M55-W61 WeakPolarHBondContact O-CZ3 3.07Å
56R77.8Confident81.1Confident202 Ų202111.7 Ų111.776%0.76253%0.533SS*.Hα-helixtrans-64.1-39174.5-171.5179.7175.9-176.7-1.3112.4A52 R53 K54A52-R56 PolarHBondContact O-N 3.13Å; R53-R56 WeakPolarHBondContact O-CB 3.44Å; R53-R56 PolarHBondContact O-N 3.45Å; K54-R56 PolarHBondContact O-N 3.01Å
57E83.4Confident80.6Confident152 Ų152115 Ų11571%0.7155%0.548SS*.Hα-helixtrans-75.2-41.7179.1-64.3172.9179.600111.2K54 M55 K59K54-E57 WeakPolarHBondContact O-CB 3.43Å; K54-E57 PolarHBondContact O-N 3.42Å; M55-E57 VanDerWaalsContact C-N 3.32Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.22Å
58W82Confident80.4Confident147 Ų147112.7 Ų112.756%0.55754%0.544SS*.Hα-helixtrans-74-18.3-177.2-63.2-19.3000114.4L51 K54 L60L51-W58 HydrophobicContact CD1-CZ3 4.43Å; K54-W58 HydrophobicContact CB-CD2 4.28Å; K54-W58 HydrophobicContact CB-CE3 4.29Å; K54-W58 HydrophobicContact CB-CH2 4.11Å; K54-W58 HydrophobicContact CB-CZ2 4.06Å; K54-W58 HydrophobicContact CB-CZ3 4.21Å; K54-W58 HydrophobicContact CD-CH2 4.1Å; K54-W58 HydrophobicContact CD-CZ2 4.09Å; K54-W58 HydrophobicContact CG-CZ2 4.48Å; K54-W58 PolarHBondContact O-N 3.07Å; W58-L60 HydrophobicContact CB-CD1 4.48Å; W58-L60 HydrophobicContact CB-CD2 4.26Å; W58-L60 HydrophobicContact CB-CG 3.91Å; W58-L60 HydrophobicContact CE3-CD1 4.09Å; W58-L60 PolarHBondContact O-N 3.13Å; W58-L60 VanDerWaalsContact O-N 3.13Å
59K78.4Confident80.4Confident99 Ų99114.9 Ų114.943%0.4356%0.562SS.*THydrogen-bonded Turntrans44.346.8-179.5-56.4-174.2-170.3169.10113.4M55 E57 W61 E62M55-K59 PolarHBondContact O-N 3.25Å; M55-K59 VanDerWaalsContact O-N 3.12Å; E57-K59 VanDerWaalsContact C-N 3.31Å; E57-K59 PolarHBondContact O-N 3.22Å; K59-W61 HydrophobicContact CB-CZ2 4.03Å; K59-W61 HydrophobicContact CG-CZ2 3.96Å; K59-W61 PolarHBondContact O-N 3.42Å; K59-E62 HydrophobicContact CB-CG 4.1Å; K59-E62 WeakPolarHBondContact CD-OE1 3.47Å; K59-E62 IonicContact NZ-OE1 3.74Å; K59-E62 WeakPolarHBondContact O-CB 3.43Å; K59-E62 PolarHBondContact O-N 2.95Å
60L68.8Low80Confident93 Ų93115.3 Ų115.349%0.48758%0.578SS.*THydrogen-bonded Turntrans-58.3-11.4-175.1-66.3162.2000115M55 W58 E62M55-L60 HydrophobicContact CB-CD1 4.41Å; M55-L60 HydrophobicContact CE-CD1 4.28Å; M55-L60 HydrophobicContact CG-CD1 3.82Å; M55-L60 HydrophobicContact SD-CD1 4.47Å; W58-L60 HydrophobicContact CB-CD1 4.48Å; W58-L60 HydrophobicContact CB-CD2 4.26Å; W58-L60 HydrophobicContact CB-CG 3.91Å; W58-L60 HydrophobicContact CE3-CD1 4.09Å; W58-L60 PolarHBondContact O-N 3.13Å; W58-L60 VanDerWaalsContact O-N 3.13Å; L60-E62 VanDerWaalsContact C-N 3.29Å
61W77.3Confident79.5Confident141 Ų141118 Ų11853%0.53459%0.592SS.*THydrogen-bonded Turntrans-79.5-8.1173.247.587.4000113.9L5 M55 K59L5-W61 HydrophobicContact CD1-CB 3.54Å; L5-W61 HydrophobicContact CD1-CD2 4.19Å; L5-W61 HydrophobicContact CD1-CE3 3.6Å; L5-W61 HydrophobicContact CD1-CG 4.23Å; M55-W61 VanDerWaalsContact O-CZ3 3.26Å; M55-W61 WeakPolarHBondContact O-CZ3 3.07Å; K59-W61 HydrophobicContact CB-CZ2 4.03Å; K59-W61 HydrophobicContact CG-CZ2 3.96Å; K59-W61 PolarHBondContact O-N 3.42Å
62E77.3Confident79.4Confident106 Ų106120.7 Ų120.750%0.49560%0.603SS.*SBendtrans-71.2146.1174.1-69.1179.3173.800109.6K59 L60K59-E62 HydrophobicContact CB-CG 4.1Å; K59-E62 WeakPolarHBondContact CD-OE1 3.47Å; K59-E62 IonicContact NZ-OE1 3.74Å; K59-E62 WeakPolarHBondContact O-CB 3.43Å; K59-E62 PolarHBondContact O-N 2.95Å; L60-E62 VanDerWaalsContact C-N 3.29Å
63P79.4Confident79.3Confident116 Ų116128 Ų12875%0.75362%0.621SS**PPolyproline II helixtrans-54.4155.9174.3-23.733.8000111.6V65P63-V65 PolarHBondContact O-N 3.01Å
64L77.4Confident78.9Confident149 Ų149128.1 Ų128.178%0.7863%0.625SS**PPolyproline II helixtrans-48.2127.5174.3-74.3156.8000109.9E66L64-E66 PolarHBondContact O-N 3.22Å
65V75.8Confident78.4Confident144 Ų144133.7 Ų133.787%0.87364%0.643SS**SBendtrans-64-35.7-179.8-178.70000110.3P63P63-V65 PolarHBondContact O-N 3.01Å
66E76.4Confident78.5Confident164 Ų164137.1 Ų137.177%0.76667%0.668SS**SBendtrans-142141.6174.9-64.5-174.8165.200110.8L64L64-E66 PolarHBondContact O-N 3.22Å
67E76.2Confident77.9Confident178 Ų178138 Ų13883%0.83269%0.685SS**PPolyproline II helixtrans-72.2138.2171.5-67.2-173.7173.300109.9
68P81.6Confident77.7Confident69 Ų69137.3 Ų137.345%0.44868%0.684SS.*PPolyproline II helixtrans-65.1145.5-179.927.1-33.8000111.1
69P83.6Confident77.4Confident90 Ų90136.7 Ų136.758%0.58469%0.69SS**PPolyproline II helixtrans-55.7143.7171.8-23.332.6000111.7D71 Q72P69-D71 PolarHBondContact O-N 3Å; P69-Q72 HydrophobicContact CB-CB 4.44Å; P69-Q72 VanDerWaalsContact O-CB 3.25Å; P69-Q72 WeakPolarHBondContact O-CB 3.25Å; P69-Q72 PolarHBondContact O-N 3.41Å
70A75.9Confident77.4Confident100 Ų100138.8 Ų138.883%0.82671%0.705SS**THydrogen-bonded Turntrans-57.3-24.7-170.800000115
71D76.9Confident77.9Confident129 Ų129141.5 Ų141.569%0.6972%0.718SS**THydrogen-bonded Turntrans-100.1-4-178.7-64.2-41.2000113.9P69 W73P69-D71 PolarHBondContact O-N 3Å; D71-W73 VanDerWaalsContact C-N 3.28Å; D71-W73 PolarHBondContact O-N 3Å
72Q82.9Confident77.9Confident120 Ų120141.6 Ų141.656%0.56173%0.729SS**THydrogen-bonded Turntrans-62.7-29.6-171.9-173.5692800113.8P69P69-Q72 HydrophobicContact CB-CB 4.44Å; P69-Q72 VanDerWaalsContact O-CB 3.25Å; P69-Q72 WeakPolarHBondContact O-CB 3.25Å; P69-Q72 PolarHBondContact O-N 3.41Å
73W81.9Confident78Confident204 Ų204143.9 Ų143.977%0.77375%0.745SS**THydrogen-bonded Turntrans-120.819.1-171.6-58112.4000114D71D71-W73 VanDerWaalsContact C-N 3.28Å; D71-W73 PolarHBondContact O-N 3Å
74K77.9Confident77.9Confident152 Ų152145.9 Ų145.966%0.66174%0.744SS**  trans-86.2119.2-178.6-150.8-179.3-176.2-175.80111
75W73.6Confident77.9Confident225 Ų225145.7 Ų145.785%0.85274%0.741SS**  trans-148.8139.2176.9-171.5-96.2000111.9
76P84.2Confident78.1Confident99 Ų99145.8 Ų145.864%0.64373%0.73SS**  cis-72167.9-14.5-2.419.8000112
77I66.1Low78.3Confident220 Ų220144.2 Ų144.2100%1.12873%0.727SS**  trans-70.70173.3-57.9168000110.2

Retrieved 77 of 77 residues in 22.8 ms (Link to these results)