A0A087WSU3_MOUSE Loading...

NADH:ubiquinone oxidoreductase core subunit S1

AlphaFold DB , UniProt , Accession A0A087WSU3, Species MOUSE (Mus musculus, Mouse), Gene Ndufs1, Length 61 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M68.6Low75.7Confident156 Ų15670.6 Ų70.677%0.76838%0.382SS*.  01280-179.4176.88100107.4V3 N42M1-V3 HydrophobicContact CE-CG2 4.06Å; M1-V3 HydrophobicContact CG-CG2 4.29Å; M1-N42 WeakPolarHBondContact CG-ND2 3.32Å
2V77.1Confident75.6Confident38 Ų3879.8 Ų79.823%0.2343%0.43CS..EExtended strand (participates in β ladder)trans-119.7124.2179.7-176.90000107.6V21 V25 I28 V40 N42V2-V21 HydrophobicContact CG1-CG1 3.84Å; V2-V25 HydrophobicContact CB-CG2 4.03Å; V2-V25 HydrophobicContact CG1-CG2 4.43Å; V2-V25 HydrophobicContact CG2-CG2 3.94Å; V2-I28 HydrophobicContact CG2-CD1 4.41Å; V2-V40 HydrophobicContact CG2-CG1 4.33Å; V2-V40 PolarHBondContact N-O 3.13Å; V2-N42 PolarHBondContact O-N 2.83Å
3V79.4Confident75.9Confident79 Ų7978.4 Ų78.448%0.47942%0.423SS..EExtended strand (participates in β ladder)trans-113.7122.1-178.4-176.10000109.1M1 N42 L44M1-V3 HydrophobicContact CE-CG2 4.06Å; M1-V3 HydrophobicContact CG-CG2 4.29Å; V3-N42 CarbonylContact C-O 3.54Å; V3-N42 WeakPolarHBondContact CA-O 3.49Å; V3-N42 HydrophobicContact CG2-CB 4.35Å; V3-L44 HydrophobicContact CG1-CB 3.96Å
4L79.3Confident76.1Confident17 Ų1772.9 Ų72.99%0.08939%0.394CS..EExtended strand (participates in β ladder)trans-107.1124.6175.4-177.962.6000110A8 L9 I17 L18 V21 N42 I43 L44L4-A8 HydrophobicContact CD1-CB 3.96Å; L4-L9 HydrophobicContact CD2-CD1 4.18Å; L4-L9 HydrophobicContact CD2-CD2 3.9Å; L4-L9 HydrophobicContact CD2-CG 3.99Å; L4-I17 HydrophobicContact CD1-CG2 3.87Å; L4-I17 HydrophobicContact CD2-CG2 4.5Å; L4-L18 HydrophobicContact CD2-CD1 4.17Å; L4-V21 HydrophobicContact CD1-CG2 4.44Å; L4-N42 PolarHBondContact N-O 2.84Å; L4-I43 CarbonylContact O-C 3.57Å; L4-I43 WeakPolarHBondContact O-CA 3.44Å; L4-L44 PolarHBondContact O-N 3.48Å
5G80Confident76.3Confident27 Ų2773.1 Ų73.128%0.27841%0.409SS..EExtended strand (participates in β ladder)trans-72.3134.9174.400000111.8S7 A8G5-S7 PolarHBondContact O-N 3.44Å; G5-S7 VanDerWaalsContact O-N 3.13Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.25Å
6S75.4Confident76.6Confident9 Ų972.6 Ų72.66%0.06342%0.417CS..Hα-helixtrans-57.5-23.617647.50000114.4A8 L9 L44 H45 R46S6-A8 VanDerWaalsContact C-N 3.33Å; S6-A8 PolarHBondContact O-N 2.97Å; S6-L9 PolarHBondContact O-N 3.3Å; S6-L44 WeakPolarHBondContact CB-O 3.49Å; S6-L44 PolarHBondContact N-O 2.59Å; S6-L44 PolarHBondContact OG-O 3.21Å; S6-H45 WeakPolarHBondContact OG-CA 3.34Å; S6-R46 PolarHBondContact OG-N 2.85Å
7S74.6Confident77Confident85 Ų8570.9 Ų70.959%0.59441%0.406SS*.Hα-helixtrans-67.2-30.3173.551.80000113.5G5 L9 Q10G5-S7 PolarHBondContact O-N 3.44Å; G5-S7 VanDerWaalsContact O-N 3.13Å; S7-L9 PolarHBondContact O-N 2.89Å; S7-Q10 PolarHBondContact O-N 3.38Å
8A71.9Confident77.2Confident26 Ų2670.5 Ų70.522%0.21540%0.402CS..Hα-helixtrans-71.6-22.8175.900000112L4 G5 S6 G14L4-A8 HydrophobicContact CD1-CB 3.96Å; G5-A8 WeakPolarHBondContact O-CB 3.36Å; G5-A8 PolarHBondContact O-N 3.25Å; S6-A8 VanDerWaalsContact C-N 3.33Å; S6-A8 PolarHBondContact O-N 2.97Å; A8-G14 WeakPolarHBondContact O-CA 3.28Å
9L74.3Confident77.5Confident54 Ų5471.2 Ų71.228%0.28341%0.407SS..Hα-helixtrans-82.9-16.2177-69.3167.4000113.4L4 S6 S7 R11 L18 I43L4-L9 HydrophobicContact CD2-CD1 4.18Å; L4-L9 HydrophobicContact CD2-CD2 3.9Å; L4-L9 HydrophobicContact CD2-CG 3.99Å; S6-L9 PolarHBondContact O-N 3.3Å; S7-L9 PolarHBondContact O-N 2.89Å; L9-R11 VanDerWaalsContact C-N 3.32Å; L9-L18 HydrophobicContact CD2-CB 3.87Å; L9-L18 HydrophobicContact CD2-CD1 4.04Å; L9-L18 HydrophobicContact CD2-CG 4.39Å; L9-I43 HydrophobicContact CD1-CD1 4.29Å; L9-I43 HydrophobicContact CD1-CG2 4.08Å
10Q75.3Confident77.9Confident133 Ų13370.6 Ų70.662%0.62141%0.411SS*.SBendtrans-83.1-7.6179.4-69.6174.316.900113.6S7S7-Q10 PolarHBondContact O-N 3.38Å
11R76.3Confident78.2Confident153 Ų15368.5 Ų68.558%0.57740%0.399SS*.SBendtrans-79.6157.1176.7-65.5166.351.4117.5-2.9110.2L9 D13 G14L9-R11 VanDerWaalsContact C-N 3.32Å; R11-D13 WeakPolarHBondContact CB-OD1 3.35Å; R11-D13 IonicContact CZ-OD1 3.64Å; R11-D13 IonicContact CZ-OD2 3.63Å; R11-D13 IonicContact NE-OD1 2.84Å; R11-D13 PolarHBondContact NE-OD1 3.48Å; R11-D13 IonicContact NE-OD2 3.56Å; R11-D13 IonicContact NH2-OD1 3.55Å; R11-D13 IonicContact NH2-OD2 2.84Å; R11-D13 PolarHBondContact NH2-OD2 3.22Å; R11-D13 PolarHBondContact O-N 2.95Å; R11-D13 VanDerWaalsContact O-N 3.1Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 3.01Å
12D74.7Confident78.8Confident180 Ų18062.9 Ų62.996%0.96338%0.376SS*.THydrogen-bonded Turntrans-56.9-27.2176.1-63.4-48.4000112.9
13D79.5Confident79.2Confident62 Ų6265.6 Ų65.633%0.33239%0.389SS..THydrogen-bonded Turntrans-91.67.3175.460.4-6.5000114R11 A15 A16 I17R11-D13 WeakPolarHBondContact CB-OD1 3.35Å; R11-D13 IonicContact CZ-OD1 3.64Å; R11-D13 IonicContact CZ-OD2 3.63Å; R11-D13 IonicContact NE-OD1 2.84Å; R11-D13 PolarHBondContact NE-OD1 3.48Å; R11-D13 IonicContact NE-OD2 3.56Å; R11-D13 IonicContact NH2-OD1 3.55Å; R11-D13 IonicContact NH2-OD2 2.84Å; R11-D13 PolarHBondContact NH2-OD2 3.22Å; R11-D13 PolarHBondContact O-N 2.95Å; R11-D13 VanDerWaalsContact O-N 3.1Å; D13-A15 VanDerWaalsContact C-N 3.29Å; D13-A15 PolarHBondContact O-N 3.35Å; D13-A16 WeakPolarHBondContact O-CB 3.33Å; D13-A16 PolarHBondContact O-N 3.41Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 3.44Å
14G78.4Confident79.3Confident2 Ų267.6 Ų67.62%0.02139%0.394CS..Hα-helixtrans-58.5-37.1-175.300000113.7A8 R11 I17 L18A8-G14 WeakPolarHBondContact O-CA 3.28Å; R11-G14 WeakPolarHBondContact O-CA 3.46Å; R11-G14 PolarHBondContact O-N 3.01Å; G14-I17 PolarHBondContact O-N 3.47Å; G14-L18 PolarHBondContact O-N 3.03Å
15A79.2Confident79.4Confident75 Ų7567.2 Ų67.262%0.6239%0.393SS*.Hα-helixtrans-64.6-40.2174.400000112.1D13 L18 V19D13-A15 VanDerWaalsContact C-N 3.29Å; D13-A15 PolarHBondContact O-N 3.35Å; A15-L18 PolarHBondContact O-N 3.25Å; A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.02Å
16A81.8Confident79.4Confident65 Ų6570.6 Ų70.654%0.53740%0.401SS..Hα-helixtrans-67.4-38.9177.500000111.5D13 V19 A20D13-A16 WeakPolarHBondContact O-CB 3.33Å; D13-A16 PolarHBondContact O-N 3.41Å; A16-V19 PolarHBondContact O-N 3.48Å; A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 3.4Å
17I82.5Confident79.7Confident45 Ų4577.3 Ų77.323%0.23143%0.429CS..Hα-helixtrans-62.8-45.5174.5-64.9168.1000110.3L4 D13 G14 V19 A20 V21L4-I17 HydrophobicContact CD1-CG2 3.87Å; L4-I17 HydrophobicContact CD2-CG2 4.5Å; D13-I17 WeakPolarHBondContact O-CG1 3.32Å; D13-I17 PolarHBondContact O-N 3.44Å; G14-I17 PolarHBondContact O-N 3.47Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.91Å; I17-A20 PolarHBondContact O-N 2.9Å; I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.27Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.26Å
18L80.9Confident79.9Confident63 Ų6376.2 Ų76.233%0.3342%0.416SS..Hα-helixtrans-59.5-43.3177.3-173.771.3000111.6L4 L9 G14 A15 S22L4-L18 HydrophobicContact CD2-CD1 4.17Å; L9-L18 HydrophobicContact CD2-CB 3.87Å; L9-L18 HydrophobicContact CD2-CD1 4.04Å; L9-L18 HydrophobicContact CD2-CG 4.39Å; G14-L18 PolarHBondContact O-N 3.03Å; A15-L18 PolarHBondContact O-N 3.25Å; L18-S22 VanDerWaalsContact O-CB 3.26Å; L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 3.46Å
19V83.9Confident80.1Confident84 Ų8479.6 Ų79.651%0.50942%0.423SS..Hα-helixtrans-64.7-45177.5170.50000111.3A15 A16 I17 V21 S22 N23A15-V19 WeakPolarHBondContact O-CG2 3.43Å; A15-V19 PolarHBondContact O-N 3.02Å; A16-V19 PolarHBondContact O-N 3.48Å; I17-V19 VanDerWaalsContact C-N 3.32Å; I17-V19 PolarHBondContact O-N 2.91Å; V19-V21 PolarHBondContact O-N 2.88Å; V19-S22 PolarHBondContact O-N 3.33Å; V19-N23 WeakPolarHBondContact O-CB 2.96Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.78Å
20A85.6Confident80.2Confident59 Ų5982.8 Ų82.849%0.48845%0.445SS..Hα-helixtrans-60.8-45.6178.300000111.8A16 I17 N23 M24A16-A20 WeakPolarHBondContact O-CB 3.4Å; A16-A20 PolarHBondContact O-N 3.4Å; I17-A20 PolarHBondContact O-N 2.9Å; A20-N23 PolarHBondContact O-N 2.94Å; A20-M24 PolarHBondContact O-N 3.38Å
21V83.4Confident80.3Confident26 Ų2682 Ų8216%0.15845%0.449CS..Hα-helixtrans-66.1-41.4177.7175.20000110.9V2 L4 I17 V19 N23 M24 V25 M41V2-V21 HydrophobicContact CG1-CG1 3.84Å; L4-V21 HydrophobicContact CD1-CG2 4.44Å; I17-V21 HydrophobicContact CG2-CG2 4.34Å; I17-V21 WeakPolarHBondContact O-CB 3.27Å; I17-V21 VanDerWaalsContact O-CG2 3.27Å; I17-V21 WeakPolarHBondContact O-CG2 3.47Å; I17-V21 PolarHBondContact O-N 3.26Å; V19-V21 PolarHBondContact O-N 2.88Å; V21-N23 PolarHBondContact O-N 3.47Å; V21-M24 PolarHBondContact O-N 2.93Å; V21-V25 HydrophobicContact CG1-CG2 4.37Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.29Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.31Å; V21-M41 HydrophobicContact CG1-CE 4.13Å
22S81.6Confident79.9Confident39 Ų3979.4 Ų79.427%0.27345%0.45SS..Hα-helixtrans-59.1-46.5175.4-62.20000111.8L18 V19 M24 V25 Q26 M41L18-S22 VanDerWaalsContact O-CB 3.26Å; L18-S22 WeakPolarHBondContact O-CB 3.26Å; L18-S22 PolarHBondContact O-N 3.27Å; L18-S22 PolarHBondContact O-OG 3.46Å; V19-S22 PolarHBondContact O-N 3.33Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.36Å; S22-V25 PolarHBondContact O-N 2.89Å; S22-Q26 WeakPolarHBondContact O-CG 3.49Å; S22-Q26 PolarHBondContact O-N 3.32Å; S22-M41 VanDerWaalsContact CA-CE 3.5Å; S22-M41 WeakPolarHBondContact OG-CE 3.47Å
23N84.4Confident79.4Confident94 Ų9474 Ų7450%0.50344%0.438SS..Hα-helixtrans-62.4-40.5177.2-75.7-23.3000112.1V19 A20 V21 Q26 K27V19-N23 WeakPolarHBondContact O-CB 2.96Å; V19-N23 PolarHBondContact O-N 3.44Å; V19-N23 PolarHBondContact O-ND2 2.78Å; A20-N23 PolarHBondContact O-N 2.94Å; V21-N23 PolarHBondContact O-N 3.47Å; N23-Q26 PolarHBondContact O-N 3.29Å; N23-K27 WeakPolarHBondContact O-CG 3.41Å; N23-K27 PolarHBondContact O-N 3.41Å
24M82.1Confident78.7Confident122 Ų12273 Ų7360%0.60143%0.433SS*.Hα-helixtrans-65.5-42.7177-160.2-177.7-106.300111.3A20 V21 S22 K27 I28A20-M24 PolarHBondContact O-N 3.38Å; V21-M24 PolarHBondContact O-N 2.93Å; S22-M24 VanDerWaalsContact C-N 3.33Å; S22-M24 PolarHBondContact O-N 3.36Å; M24-K27 PolarHBondContact O-N 3.37Å; M24-I28 HydrophobicContact CG-CD1 4.28Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.34Å; M24-I28 PolarHBondContact O-N 3.03Å
25V81.4Confident77.9Confident8 Ų876.2 Ų76.25%0.04846%0.46CS..Hα-helixtrans-64-42.3176.61680000112V2 V21 S22 I28 R29 V40 M41V2-V25 HydrophobicContact CB-CG2 4.03Å; V2-V25 HydrophobicContact CG1-CG2 4.43Å; V2-V25 HydrophobicContact CG2-CG2 3.94Å; V21-V25 HydrophobicContact CG1-CG2 4.37Å; V21-V25 WeakPolarHBondContact O-CB 3.29Å; V21-V25 VanDerWaalsContact O-CG2 3.29Å; V21-V25 WeakPolarHBondContact O-CG2 3.48Å; V21-V25 PolarHBondContact O-N 3.31Å; S22-V25 PolarHBondContact O-N 2.89Å; V25-I28 PolarHBondContact O-N 2.84Å; V25-R29 PolarHBondContact O-N 2.71Å; V25-V40 HydrophobicContact CB-CG1 4.35Å; V25-V40 HydrophobicContact CG1-CB 3.72Å; V25-V40 HydrophobicContact CG1-CG1 3.72Å; V25-V40 HydrophobicContact CG2-CG1 4.13Å; V25-M41 HydrophobicContact CB-CE 4.3Å; V25-M41 HydrophobicContact CG1-CB 4.26Å; V25-M41 HydrophobicContact CG2-CB 4.19Å; V25-M41 HydrophobicContact CG2-CE 4.09Å
26Q80.9Confident77.1Confident98 Ų9877 Ų7746%0.45847%0.467SS..Hα-helixtrans-62.7-44175.7-70.4-63.2-25.800111.4S22 N23 I28 R29 V30S22-Q26 WeakPolarHBondContact O-CG 3.49Å; S22-Q26 PolarHBondContact O-N 3.32Å; N23-Q26 PolarHBondContact O-N 3.29Å; Q26-I28 PolarHBondContact O-N 2.84Å; Q26-R29 PolarHBondContact O-N 2.87Å; Q26-V30 WeakPolarHBondContact O-CG2 3.4Å; Q26-V30 PolarHBondContact O-N 3.24Å
27K81.9Confident76.2Confident151 Ų15182.8 Ų82.866%0.65748%0.483SS*.Hα-helixtrans-58.6-47.6174.1-74.5177.9-179.1-176.80111.4N23 M24 R29 V30 T31N23-K27 WeakPolarHBondContact O-CG 3.41Å; N23-K27 PolarHBondContact O-N 3.41Å; M24-K27 PolarHBondContact O-N 3.37Å; K27-R29 PolarHBondContact O-N 3Å; K27-V30 PolarHBondContact O-N 2.89Å; K27-T31 WeakPolarHBondContact O-CB 3.49Å; K27-T31 PolarHBondContact O-N 2.99Å; K27-T31 PolarHBondContact O-OG1 2.88Å
28I78.2Confident75.5Confident61 Ų6188.2 Ų88.231%0.31350%0.5SS..Hα-helixtrans-61.1-43.7177.8-67.3164.7000110.9V2 M24 V25 Q26 V30 T31 T32 V40V2-I28 HydrophobicContact CG2-CD1 4.41Å; M24-I28 HydrophobicContact CG-CD1 4.28Å; M24-I28 VanDerWaalsContact O-CG1 3.28Å; M24-I28 WeakPolarHBondContact O-CG1 3.34Å; M24-I28 PolarHBondContact O-N 3.03Å; V25-I28 PolarHBondContact O-N 2.84Å; Q26-I28 PolarHBondContact O-N 2.84Å; I28-V30 VanDerWaalsContact C-N 3.33Å; I28-V30 PolarHBondContact O-N 3.01Å; I28-T31 PolarHBondContact O-N 2.98Å; I28-T32 PolarHBondContact O-N 2.88Å; I28-T32 PolarHBondContact O-OG1 3.27Å; I28-V40 HydrophobicContact CG2-CG1 4.4Å
29R75.6Confident74.9Confident98 Ų9893 Ų9337%0.3752%0.518SS..Hα-helixtrans-56.8-46.1175.7-90.8-178.571.6-156.36.8112.4V25 Q26 K27 G33 V40V25-R29 PolarHBondContact O-N 2.71Å; Q26-R29 PolarHBondContact O-N 2.87Å; K27-R29 PolarHBondContact O-N 3Å; R29-G33 PolarHBondContact O-N 3.1Å; R29-V40 HydrophobicContact CG-CG2 3.93Å
30V76.3Confident74.4Confident120 Ų12089.3 Ų89.373%0.72750%0.496SS*.Hα-helixtrans-68.8-38.8-179.3173.90000111.6Q26 K27 I28Q26-V30 WeakPolarHBondContact O-CG2 3.4Å; Q26-V30 PolarHBondContact O-N 3.24Å; K27-V30 PolarHBondContact O-N 2.89Å; I28-V30 VanDerWaalsContact C-N 3.33Å; I28-V30 PolarHBondContact O-N 3.01Å
31T76.9Confident73.8Confident117 Ų11789.4 Ų89.472%0.71849%0.487SS*.Hα-helixtrans-79.9-38.4-172.8-36.90000112.5K27 I28K27-T31 WeakPolarHBondContact O-CB 3.49Å; K27-T31 PolarHBondContact O-N 2.99Å; K27-T31 PolarHBondContact O-OG1 2.88Å; I28-T31 PolarHBondContact O-N 2.98Å
32T68.1Low73.5Confident98 Ų9890.9 Ų90.960%0.60149%0.494SS*.Hα-helixtrans-96.61.9-172-18.70000113.3I28 V34I28-T32 PolarHBondContact O-N 2.88Å; I28-T32 PolarHBondContact O-OG1 3.27Å; T32-V34 PolarHBondContact O-N 2.95Å
33G63.8Low73.4Confident68 Ų6892.1 Ų92.170%0.70150%0.497SS*.THydrogen-bonded Turntrans59.731.3179.500000112.8R29 A35R29-G33 PolarHBondContact O-N 3.1Å; G33-A35 PolarHBondContact O-N 3.39Å
34V64.8Low73Confident39 Ų3993.2 Ų93.224%0.23650%0.502CS..  trans-63.7127-174.7-176.90000109.1T32 A36 W38 V40T32-V34 PolarHBondContact O-N 2.95Å; V34-A36 PolarHBondContact O-N 2.83Å; V34-W38 HydrophobicContact CG1-CB 3.46Å; V34-W38 VanDerWaalsContact CG1-CB 3.46Å; V34-W38 HydrophobicContact CG1-CG 3.77Å; V34-V40 HydrophobicContact CG1-CG2 4.11Å
35A62.5Low72.6Confident70 Ų7090.6 Ų90.658%0.57949%0.488SS*.  trans-48.8137.617700000110.9G33 E37 W38G33-A35 PolarHBondContact O-N 3.39Å; A35-E37 PolarHBondContact O-N 3.44Å; A35-W38 PolarHBondContact O-N 3.26Å
36A62.5Low72.1Confident92 Ų92101.3 Ų101.376%0.7653%0.528SS*.THydrogen-bonded Turntrans-56.8-23.3-174.400000113.8V34V34-A36 PolarHBondContact O-N 2.83Å
37E63.5Low71.6Confident187 Ų187100.3 Ų100.387%0.87453%0.525SS*.THydrogen-bonded Turntrans-73.8-19.5175.3-78.7-161.3129.300114.9A35 K39A35-E37 PolarHBondContact O-N 3.44Å; E37-K39 PolarHBondContact O-N 3.5Å
38W67.6Low70.8Confident159 Ų15997.4 Ų97.460%0.60253%0.529SS*.  trans-81.2114.1-174-172.6-96.3000111.4V34 A35 V40V34-W38 HydrophobicContact CG1-CB 3.46Å; V34-W38 VanDerWaalsContact CG1-CB 3.46Å; V34-W38 HydrophobicContact CG1-CG 3.77Å; A35-W38 PolarHBondContact O-N 3.26Å; W38-V40 PolarHBondContact O-N 3Å
39K68.3Low70.4Confident164 Ų16498.6 Ų98.671%0.71354%0.542SS*.  trans-73.196.2176.2-62.9-167.6-178.4-176.90110.4E37E37-K39 PolarHBondContact O-N 3.5Å
40V72.4Confident69.8Low6 Ų696.3 Ų96.34%0.03654%0.536CS..  trans-73.9-30.4178.5-178.70000111.8V2 V25 I28 R29 V34 W38V2-V40 HydrophobicContact CG2-CG1 4.33Å; V2-V40 PolarHBondContact N-O 3.13Å; V25-V40 HydrophobicContact CB-CG1 4.35Å; V25-V40 HydrophobicContact CG1-CB 3.72Å; V25-V40 HydrophobicContact CG1-CG1 3.72Å; V25-V40 HydrophobicContact CG2-CG1 4.13Å; I28-V40 HydrophobicContact CG2-CG1 4.4Å; R29-V40 HydrophobicContact CG-CG2 3.93Å; V34-V40 HydrophobicContact CG1-CG2 4.11Å; W38-V40 PolarHBondContact O-N 3Å
41M74Confident69.6Low60 Ų6093.2 Ų93.230%0.29652%0.517SS..EExtended strand (participates in β ladder)trans-101.2125.5179.6-180-180-69.100111.2V21 S22 V25V21-M41 HydrophobicContact CG1-CE 4.13Å; S22-M41 VanDerWaalsContact CA-CE 3.5Å; S22-M41 WeakPolarHBondContact OG-CE 3.47Å; V25-M41 HydrophobicContact CB-CE 4.3Å; V25-M41 HydrophobicContact CG1-CB 4.26Å; V25-M41 HydrophobicContact CG2-CB 4.19Å; V25-M41 HydrophobicContact CG2-CE 4.09Å
42N76.6Confident69.2Low58 Ų5890 Ų9031%0.3150%0.503SS..EExtended strand (participates in β ladder)trans-127140.6171.8-66.5-46.3000110M1 V2 V3 L4M1-N42 WeakPolarHBondContact CG-ND2 3.32Å; V2-N42 PolarHBondContact O-N 2.83Å; V3-N42 CarbonylContact C-O 3.54Å; V3-N42 WeakPolarHBondContact CA-O 3.49Å; V3-N42 HydrophobicContact CG2-CB 4.35Å; L4-N42 PolarHBondContact N-O 2.84Å
43I78.5Confident69.3Low65 Ų6586.9 Ų86.933%0.33349%0.487SS..EExtended strand (participates in β ladder)trans-110.7126.2173.3-60.3174.5000108L4 L9 H45L4-I43 CarbonylContact O-C 3.57Å; L4-I43 WeakPolarHBondContact O-CA 3.44Å; L9-I43 HydrophobicContact CD1-CD1 4.29Å; L9-I43 HydrophobicContact CD1-CG2 4.08Å; I43-H45 PolarHBondContact O-CD2 2.94Å
44L77.6Confident69.6Low116 Ų11687.2 Ų87.261%0.60747%0.472SS*.EExtended strand (participates in β ladder)trans-92.2104.8176.9-172.867.5000109.6V3 L4 S6V3-L44 HydrophobicContact CG1-CB 3.96Å; L4-L44 PolarHBondContact O-N 3.48Å; S6-L44 WeakPolarHBondContact CB-O 3.49Å; S6-L44 PolarHBondContact N-O 2.59Å; S6-L44 PolarHBondContact OG-O 3.21Å
45H73.4Confident69.9Low67 Ų6792 Ų9231%0.3150%0.496SS..  trans-82.1130.6175.8-67.5-96.8000110.4S6 I43 V51S6-H45 WeakPolarHBondContact OG-CA 3.34Å; I43-H45 PolarHBondContact O-CD2 2.94Å; H45-V51 HydrophobicContact CB-CG2 3.55Å
46R71.4Confident70.4Confident233 Ų23394.7 Ų94.788%0.87950%0.5SS*.SBendtrans-85.7-23.8176-172.1177.5177.3-164.6-0.4112.7S6S6-R46 PolarHBondContact OG-N 2.85Å
47I69.6Low70.9Confident78 Ų7893.4 Ų93.440%0.450%0.496SS..  trans-114.8117-172.6-56.8176.7000108.7S49 Q50I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 WeakPolarHBondContact CG2-OG 3.4Å; I47-S49 PolarHBondContact O-N 3.44Å; I47-Q50 HydrophobicContact CB-CB 3.86Å; I47-Q50 HydrophobicContact CG2-CB 4.03Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.07Å
48A65.9Low71.2Confident89 Ų8992.2 Ų92.274%0.73648%0.484SS*.Hα-helixtrans-63.7-37.7-179.400000112.7Q50 V51 A52A48-Q50 VanDerWaalsContact C-N 3.26Å; A48-Q50 PolarHBondContact O-N 3.36Å; A48-V51 PolarHBondContact O-N 2.9Å; A48-A52 PolarHBondContact O-N 3.07Å
49S69Low71.2Confident86 Ų8694.3 Ų94.360%0.60150%0.498SS*.Hα-helixtrans-68-23.6176.652.20000113.5I47 A52 A53I47-S49 VanDerWaalsContact C-N 3.34Å; I47-S49 WeakPolarHBondContact CG2-OG 3.4Å; I47-S49 PolarHBondContact O-N 3.44Å; S49-A52 PolarHBondContact O-N 3.43Å; S49-A53 WeakPolarHBondContact O-CB 3.13Å; S49-A53 PolarHBondContact O-N 3.35Å
50Q63.8Low71.1Confident50 Ų5091 Ų9123%0.23449%0.493CS..Hα-helixtrans-72.3-32.5178-169.1173.49.500111.8I47 A48 L54I47-Q50 HydrophobicContact CB-CB 3.86Å; I47-Q50 HydrophobicContact CG2-CB 4.03Å; I47-Q50 WeakPolarHBondContact O-CB 3.46Å; I47-Q50 PolarHBondContact O-N 3.07Å; A48-Q50 VanDerWaalsContact C-N 3.26Å; A48-Q50 PolarHBondContact O-N 3.36Å; Q50-L54 HydrophobicContact CG-CD1 4.42Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 WeakPolarHBondContact O-CD1 3.42Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.2Å
51V71.7Confident70.4Confident56 Ų5698 Ų9834%0.33957%0.567SS.*Hα-helixtrans-66.5-46.6173.4-177.60000109.9H45 A48 A53 L54 D55H45-V51 HydrophobicContact CB-CG2 3.55Å; A48-V51 PolarHBondContact O-N 2.9Å; V51-A53 VanDerWaalsContact C-N 3.35Å; V51-A53 PolarHBondContact O-N 3.5Å; V51-L54 PolarHBondContact O-N 3.23Å; V51-D55 PolarHBondContact O-N 2.9Å
52A68.7Low70.2Confident49 Ų49100 Ų10041%0.40558%0.58SS.*Hα-helixtrans-63.7-3817700000112.9A48 S49 D55 L56A48-A52 PolarHBondContact O-N 3.07Å; S49-A52 PolarHBondContact O-N 3.43Å; A52-D55 PolarHBondContact O-N 3.43Å; A52-L56 WeakPolarHBondContact O-CG 3.34Å; A52-L56 PolarHBondContact O-N 3.45Å
53A70.6Confident69.9Low32 Ų32102.2 Ų102.226%0.26459%0.594SS.*Hα-helixtrans-64.5-40.5175.400000112S49 V51 L56 G57 Y58S49-A53 WeakPolarHBondContact O-CB 3.13Å; S49-A53 PolarHBondContact O-N 3.35Å; V51-A53 VanDerWaalsContact C-N 3.35Å; V51-A53 PolarHBondContact O-N 3.5Å; A53-L56 PolarHBondContact O-N 3.45Å; A53-G57 PolarHBondContact O-N 3.37Å; A53-Y58 WeakPolarHBondContact O-CB 3.37Å; A53-Y58 PolarHBondContact O-N 2.97Å
54L69.2Low69.4Low75 Ų75104.2 Ų104.239%0.39361%0.609SS.*Hα-helixtrans-67.1-38175.4-74.3164.6000112Q50 V51 L56 G57 P60Q50-L54 HydrophobicContact CG-CD1 4.42Å; Q50-L54 WeakPolarHBondContact O-CB 3.3Å; Q50-L54 WeakPolarHBondContact O-CD1 3.42Å; Q50-L54 VanDerWaalsContact O-CG 3.3Å; Q50-L54 WeakPolarHBondContact O-CG 3.49Å; Q50-L54 PolarHBondContact O-N 3.2Å; V51-L54 PolarHBondContact O-N 3.23Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L54-G57 PolarHBondContact O-N 3.35Å; L54-P60 HydrophobicContact CD2-CB 4.44Å; L54-P60 HydrophobicContact CD2-CG 4.14Å
55D70.4Confident68.9Low139 Ų139103.5 Ų103.574%0.74361%0.609SS**Hα-helixtrans-63.8-34.4174.7-78.8-18.5000112.3V51 A52 G57V51-D55 PolarHBondContact O-N 2.9Å; A52-D55 PolarHBondContact O-N 3.43Å; D55-G57 PolarHBondContact O-N 3.06Å
56L73.3Confident68.6Low128 Ų128105.8 Ų105.867%0.6763%0.628SS**THydrogen-bonded Turntrans-79.6-0.8174.8-68.2170000113.5A52 A53 L54 Y58A52-L56 WeakPolarHBondContact O-CG 3.34Å; A52-L56 PolarHBondContact O-N 3.45Å; A53-L56 PolarHBondContact O-N 3.45Å; L54-L56 VanDerWaalsContact C-N 3.29Å; L54-L56 PolarHBondContact O-N 3.27Å; L56-Y58 VanDerWaalsContact C-N 3.33Å; L56-Y58 HydrophobicContact CB-CD1 4.2Å; L56-Y58 HydrophobicContact CB-CE1 4.44Å
57G74.1Confident68.5Low64 Ų6497.3 Ų97.366%0.6661%0.611SS**THydrogen-bonded Turntrans74.719.2-179.900000114.3A53 L54 D55A53-G57 PolarHBondContact O-N 3.37Å; L54-G57 PolarHBondContact O-N 3.35Å; D55-G57 PolarHBondContact O-N 3.06Å
58Y69.1Low68.4Low163 Ų16398.7 Ų98.764%0.63963%0.626SS**PPolyproline II helixtrans-71143.1175.8-77.820000109.9A53 L56 P60A53-Y58 WeakPolarHBondContact O-CB 3.37Å; A53-Y58 PolarHBondContact O-N 2.97Å; L56-Y58 VanDerWaalsContact C-N 3.33Å; L56-Y58 HydrophobicContact CB-CD1 4.2Å; L56-Y58 HydrophobicContact CB-CE1 4.44Å; Y58-P60 WeakPolarHBondContact O-CD 3.34Å
59K67.6Low68.6Low203 Ų20399.5 Ų99.588%0.88362%0.618SS**PPolyproline II helixtrans-70.3124177.7-71.1-177.6-179.3176.10109.1G61K59-G61 PolarHBondContact O-N 3.41Å
60P66.6Low68.5Low94 Ų94100.6 Ų100.661%0.6162%0.619SS**PPolyproline II helixtrans-66.7129.1170.826.3-31000109.3L54 Y58L54-P60 HydrophobicContact CD2-CB 4.44Å; L54-P60 HydrophobicContact CD2-CG 4.14Å; Y58-P60 WeakPolarHBondContact O-CD 3.34Å
61G57.3Low69Low154 Ų154105.2 Ų105.2100%1.58865%0.654SS**  trans-1710179.800000109.8K59K59-G61 PolarHBondContact O-N 3.41Å

Retrieved 61 of 61 residues in 34.7 ms (Link to these results)