A0A077ZGZ0_TRITR Loading...

Small nuclear ribonucleoprotein Sm D3

Plays a role in pre-mRNA splicing as a core component of the spliceosomal U1, U2, U4 and U5 small nuclear ribonucleoproteins (snRNPs), the building blocks of the spliceosome.

AlphaFold DB , UniProt , Accession A0A077ZGZ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 126 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
1M54Low87.9Confident241 Ų24173.7 Ų73.7100%1.18742%0.423SS*.  0123.60-74.8176.6-92.100107.7
2S80.1Confident88.5Confident119 Ų11976.1 Ų76.183%0.83243%0.428SS*.  trans-88.4110.8179.857.20000110
3I83.7Confident89.2Confident57 Ų5770.2 Ų70.229%0.29240%0.395SS..  trans-64.8139.3175-65.9164.8000110.2L7 K8 D37I3-L7 HydrophobicContact CG2-CB 3.5Å; I3-L7 HydrophobicContact CG2-CD2 3.44Å; I3-L7 VanDerWaalsContact CG2-CD2 3.44Å; I3-L7 HydrophobicContact CG2-CG 3.42Å; I3-L7 VanDerWaalsContact CG2-CG 3.42Å; I3-K8 HydrophobicContact CB-CG 4.31Å; I3-K8 HydrophobicContact CG2-CG 3.95Å; I3-K8 VanDerWaalsContact O-CE 3.26Å; I3-K8 WeakPolarHBondContact O-CE 3.47Å; I3-D37 VanDerWaalsContact CD1-OD1 3.24Å; I3-D37 WeakPolarHBondContact CD1-OD1 3.48Å
4G90Very high89.8Confident43 Ų4370.1 Ų70.144%0.44339%0.389SS..  trans-64.8152.3178.100000112.6P6 L7 K8G4-P6 VanDerWaalsContact C-CD 3.48Å; G4-L7 PolarHBondContact O-N 2.8Å; G4-L7 VanDerWaalsContact O-N 3.15Å; G4-K8 PolarHBondContact O-N 2.82Å; G4-K8 VanDerWaalsContact O-N 3.13Å
5V91.2Very high90.3Very high50 Ų5068.3 Ų68.330%0.30339%0.393SS..Hα-helixtrans-52.5-44.1-178.8173.80000113.3L7 K8 V9 M82 I86V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 PolarHBondContact O-N 2.87Å; V5-K8 PolarHBondContact O-N 3.1Å; V5-V9 HydrophobicContact CG1-CG2 4.39Å; V5-V9 WeakPolarHBondContact O-CG2 3.25Å; V5-V9 PolarHBondContact O-N 3.45Å; V5-M82 HydrophobicContact CG1-CB 3.85Å; V5-I86 HydrophobicContact CB-CD1 4.46Å; V5-I86 HydrophobicContact CG1-CD1 3.88Å
6P93.5Very high90.8Very high106 Ų10669.3 Ų69.369%0.68839%0.393SS*.Hα-helixtrans-60-40179.2-2636.1000113.9G4 V9 L10G4-P6 VanDerWaalsContact C-CD 3.48Å; P6-V9 PolarHBondContact O-N 2.91Å; P6-L10 PolarHBondContact O-N 2.87Å
7L94.8Very high91.2Very high30 Ų3070.1 Ų70.116%0.15740%0.395CS..Hα-helixtrans-71.8-35.4-179.7179.656.9000111.4I3 G4 V5 V9 L10 H11 D37I3-L7 HydrophobicContact CG2-CB 3.5Å; I3-L7 HydrophobicContact CG2-CD2 3.44Å; I3-L7 VanDerWaalsContact CG2-CD2 3.44Å; I3-L7 HydrophobicContact CG2-CG 3.42Å; I3-L7 VanDerWaalsContact CG2-CG 3.42Å; G4-L7 PolarHBondContact O-N 2.8Å; G4-L7 VanDerWaalsContact O-N 3.15Å; V5-L7 VanDerWaalsContact C-N 3.33Å; V5-L7 PolarHBondContact O-N 2.87Å; L7-V9 VanDerWaalsContact C-N 3.3Å; L7-V9 PolarHBondContact O-N 2.8Å; L7-L10 HydrophobicContact CD1-CB 4.46Å; L7-L10 HydrophobicContact CD1-CD2 4.06Å; L7-L10 WeakPolarHBondContact O-CB 3.45Å; L7-L10 PolarHBondContact O-N 2.99Å; L7-L10 VanDerWaalsContact O-N 3.17Å; L7-H11 PolarHBondContact O-CD2 3.18Å; L7-H11 PolarHBondContact O-N 3.24Å; L7-D37 HydrophobicContact CD2-CB 4.09Å; L7-D37 WeakPolarHBondContact CD2-O 3.47Å
8K93.5Very high91.6Very high96 Ų9666.3 Ų66.342%0.41737%0.373SS..Hα-helixtrans-60.3-40.9169.4-64-177.9175178.70112.1I3 G4 V5 L10 H11 E12 M82I3-K8 HydrophobicContact CB-CG 4.31Å; I3-K8 HydrophobicContact CG2-CG 3.95Å; I3-K8 VanDerWaalsContact O-CE 3.26Å; I3-K8 WeakPolarHBondContact O-CE 3.47Å; G4-K8 PolarHBondContact O-N 2.82Å; G4-K8 VanDerWaalsContact O-N 3.13Å; V5-K8 PolarHBondContact O-N 3.1Å; K8-L10 VanDerWaalsContact C-N 3.31Å; K8-H11 PolarHBondContact O-N 3.45Å; K8-E12 WeakPolarHBondContact O-CG 3.43Å; K8-E12 PolarHBondContact O-N 3.18Å; K8-M82 VanDerWaalsContact C-SD 3.58Å; K8-M82 HydrophobicContact CB-CE 3.81Å; K8-M82 HydrophobicContact CB-SD 3.25Å; K8-M82 WeakPolarHBondContact CB-SD 3.27Å; K8-M82 HydrophobicContact CD-SD 4.37Å; K8-M82 HydrophobicContact CG-SD 4.45Å
9V94.5Very high92Very high7 Ų764.3 Ų64.34%0.04236%0.363CS..Hα-helixtrans-67.3-33.9176.3175.80000111.4V5 P6 L7 E12 A13 L73 L77 M82 F83V5-V9 HydrophobicContact CG1-CG2 4.39Å; V5-V9 WeakPolarHBondContact O-CG2 3.25Å; V5-V9 PolarHBondContact O-N 3.45Å; P6-V9 PolarHBondContact O-N 2.91Å; L7-V9 VanDerWaalsContact C-N 3.3Å; L7-V9 PolarHBondContact O-N 2.8Å; V9-E12 PolarHBondContact O-N 2.96Å; V9-A13 PolarHBondContact O-N 2.74Å; V9-L73 HydrophobicContact CG1-CD1 3.87Å; V9-L77 HydrophobicContact CG1-CB 4.46Å; V9-L77 HydrophobicContact CG1-CD1 4.32Å; V9-M82 HydrophobicContact CB-SD 4.48Å; V9-M82 HydrophobicContact CG2-CB 4.22Å; V9-M82 HydrophobicContact CG2-SD 3.63Å; V9-F83 HydrophobicContact CB-CZ 4.38Å; V9-F83 HydrophobicContact CG1-CE2 4.07Å; V9-F83 HydrophobicContact CG1-CZ 3.95Å; V9-F83 HydrophobicContact CG2-CE1 4.35Å; V9-F83 HydrophobicContact CG2-CE2 3.82Å; V9-F83 HydrophobicContact CG2-CZ 3.68Å
10L96.2Very high92.3Very high8 Ų861.1 Ų61.14%0.04235%0.345CS..Hα-helixtrans-63.8-43174.4179.860.9000111.7P6 L7 K8 E12 A13 L32 A35 M39 L71 L73P6-L10 PolarHBondContact O-N 2.87Å; L7-L10 HydrophobicContact CD1-CB 4.46Å; L7-L10 HydrophobicContact CD1-CD2 4.06Å; L7-L10 WeakPolarHBondContact O-CB 3.45Å; L7-L10 PolarHBondContact O-N 2.99Å; L7-L10 VanDerWaalsContact O-N 3.17Å; K8-L10 VanDerWaalsContact C-N 3.31Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.15Å; L10-A13 WeakPolarHBondContact O-CA 3.48Å; L10-A13 VanDerWaalsContact O-CB 3.24Å; L10-A13 WeakPolarHBondContact O-CB 3.22Å; L10-A13 PolarHBondContact O-N 2.89Å; L10-L32 HydrophobicContact CD1-CD2 4.1Å; L10-A35 HydrophobicContact CD1-CB 4.41Å; L10-A35 HydrophobicContact CD2-CB 4Å; L10-A35 HydrophobicContact CG-CB 3.75Å; L10-M39 HydrophobicContact CD2-CG 4.39Å; L10-L71 HydrophobicContact CD1-CD2 3.84Å; L10-L73 HydrophobicContact CD1-CD2 4.17Å
11H95.8Very high92.6Very high54 Ų5459.9 Ų59.925%0.2534%0.336CS..Hα-helixtrans-62-37.6173.9-70.5-65.4000112.7L7 K8 A13 E14 A35 D37L7-H11 PolarHBondContact O-CD2 3.18Å; L7-H11 PolarHBondContact O-N 3.24Å; K8-H11 PolarHBondContact O-N 3.45Å; H11-A13 PolarHBondContact O-N 2.85Å; H11-E14 IonicContact CG-OE1 3.47Å; H11-E14 IonicContact ND1-OE1 3.9Å; H11-E14 PolarHBondContact ND1-OE1 2.89Å; H11-E14 VanDerWaalsContact O-CB 3.26Å; H11-E14 WeakPolarHBondContact O-CB 3.39Å; H11-E14 VanDerWaalsContact O-CG 3.28Å; H11-E14 WeakPolarHBondContact O-CG 3.2Å; H11-E14 PolarHBondContact O-N 2.79Å; H11-A35 PolarHBondContact CE1-O 3.38Å; H11-A35 PolarHBondContact ND1-O 2.95Å; H11-A35 VanDerWaalsContact ND1-O 3.17Å; H11-D37 IonicContact NE2-OD1 2.6Å; H11-D37 PolarHBondContact NE2-OD1 2.89Å
12E94.9Very high94.7Very high102 Ų10248.7 Ų48.748%0.47728%0.282SS..Hα-helixtrans-65-19173.9-64.4-78.5160.400113.1K8 V9 L10 E14 L77 M82K8-E12 WeakPolarHBondContact O-CG 3.43Å; K8-E12 PolarHBondContact O-N 3.18Å; V9-E12 PolarHBondContact O-N 2.96Å; L10-E12 VanDerWaalsContact C-N 3.32Å; L10-E12 PolarHBondContact O-N 3.15Å; E12-E14 VanDerWaalsContact C-N 3.29Å; E12-L77 HydrophobicContact CB-CD2 3.92Å; E12-M82 HydrophobicContact CG-CE 3.27Å; E12-M82 WeakPolarHBondContact OE1-CE 3.32Å
13A96.9Very high95.6Very high0 Ų045.4 Ų45.40%026%0.259CS..THydrogen-bonded Turntrans-80-10.3175.400000113V9 L10 H11 H16 I18 L32 L73 L77V9-A13 PolarHBondContact O-N 2.74Å; L10-A13 WeakPolarHBondContact O-CA 3.48Å; L10-A13 VanDerWaalsContact O-CB 3.24Å; L10-A13 WeakPolarHBondContact O-CB 3.22Å; L10-A13 PolarHBondContact O-N 2.89Å; H11-A13 PolarHBondContact O-N 2.85Å; A13-H16 WeakPolarHBondContact O-CB 3.28Å; A13-H16 PolarHBondContact O-N 2.97Å; A13-H16 VanDerWaalsContact O-N 3.09Å; A13-H16 PolarHBondContact O-ND1 2.78Å; A13-I18 HydrophobicContact CB-CG2 4.23Å; A13-L32 HydrophobicContact CB-CD2 4.1Å; A13-L73 HydrophobicContact CB-CD1 4.29Å; A13-L73 HydrophobicContact CB-CD2 3.83Å; A13-L73 HydrophobicContact CB-CG 4.45Å; A13-L77 HydrophobicContact CB-CD1 3.6Å
14E97.9Very high96.1Very high68 Ų6847.5 Ų47.532%0.31827%0.27SS..THydrogen-bonded Turntrans-55.5141.7174.8-69172-168.800110.5H11 E12 H16 L32 A35H11-E14 IonicContact CG-OE1 3.47Å; H11-E14 IonicContact ND1-OE1 3.9Å; H11-E14 PolarHBondContact ND1-OE1 2.89Å; H11-E14 VanDerWaalsContact O-CB 3.26Å; H11-E14 WeakPolarHBondContact O-CB 3.39Å; H11-E14 VanDerWaalsContact O-CG 3.28Å; H11-E14 WeakPolarHBondContact O-CG 3.2Å; H11-E14 PolarHBondContact O-N 2.79Å; E12-E14 VanDerWaalsContact C-N 3.29Å; E14-H16 VanDerWaalsContact C-N 3.26Å; E14-H16 PolarHBondContact O-N 3.19Å; E14-H16 PolarHBondContact O-ND1 2.8Å; E14-L32 HydrophobicContact CG-CD2 4.17Å; E14-L32 HydrophobicContact CG-CG 4.29Å; E14-A35 HydrophobicContact CG-CB 4.43Å; E14-A35 PolarHBondContact OE1-N 3.36Å; E14-A35 VanDerWaalsContact OE1-N 3.11Å
15G97.6Very high96.5Very high43 Ų4346.3 Ų46.344%0.44326%0.258SS..THydrogen-bonded Turntrans80.7-8-173.700000115.4K31 L32G15-K31 VanDerWaalsContact O-CE 3.25Å; G15-K31 WeakPolarHBondContact O-CE 3.38Å; G15-L32 WeakPolarHBondContact CA-O 3.06Å; G15-L32 PolarHBondContact N-O 2.74Å
16H98.1Very high96.8Very high84 Ų8446.1 Ų46.139%0.38925%0.254SS..SBendtrans-105.9163-178.1-5881.7000113.2A13 E14 I18 K31 L32 P74A13-H16 WeakPolarHBondContact O-CB 3.28Å; A13-H16 PolarHBondContact O-N 2.97Å; A13-H16 VanDerWaalsContact O-N 3.09Å; A13-H16 PolarHBondContact O-ND1 2.78Å; E14-H16 VanDerWaalsContact C-N 3.26Å; E14-H16 PolarHBondContact O-N 3.19Å; E14-H16 PolarHBondContact O-ND1 2.8Å; H16-I18 PolarHBondContact O-N 2.93Å; H16-K31 WeakPolarHBondContact O-CA 3.36Å; H16-L32 PolarHBondContact O-N 2.6Å; H16-P74 HydrophobicContact CB-CG 3.47Å; H16-P74 VanDerWaalsContact CB-CG 3.47Å
17I98.3Very high97Very high84 Ų8443.1 Ų43.143%0.43123%0.234SC..EExtended strand (participates in β ladder)trans-75121.8171.5-55.3-57.3000109.3R29 G30 K31I17-R29 HydrophobicContact CG2-CG 4.2Å; I17-G30 WeakPolarHBondContact CA-O 3.29Å; I17-K31 HydrophobicContact CD1-CB 3.91Å
18I98.5Very high97.2Very high2 Ų243.1 Ų43.11%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-117.2164.4174.663.9159.5000110A13 H16 R29 G30 L32 L43 L71 I72 L73A13-I18 HydrophobicContact CB-CG2 4.23Å; H16-I18 PolarHBondContact O-N 2.93Å; I18-R29 WeakPolarHBondContact O-CA 3.34Å; I18-G30 PolarHBondContact N-O 3.47Å; I18-G30 PolarHBondContact O-N 3.09Å; I18-L32 HydrophobicContact CD1-CB 3.91Å; I18-L32 HydrophobicContact CD1-CD1 4Å; I18-L32 HydrophobicContact CD1-CD2 4.23Å; I18-L32 HydrophobicContact CD1-CG 4.27Å; I18-L32 HydrophobicContact CG1-CB 3.97Å; I18-L32 HydrophobicContact CG2-CB 4.13Å; I18-L32 HydrophobicContact CG2-CD2 4.42Å; I18-L43 HydrophobicContact CD1-CD2 3.92Å; I18-L43 HydrophobicContact CG1-CD2 3.87Å; I18-L71 HydrophobicContact CD1-CD2 3.86Å; I18-I72 WeakPolarHBondContact CA-O 3.49Å; I18-L73 HydrophobicContact CB-CD2 4.49Å; I18-L73 HydrophobicContact CG2-CD2 3.87Å
19T98.6Very high97.5Very high28 Ų2845.3 Ų45.317%0.17224%0.237CC..EExtended strand (participates in β ladder)trans-119.6134.9163.6-52.40000108.9V27 Y28 R29 L71 I72T19-V27 HydrophobicContact CG2-CG1 3.41Å; T19-V27 VanDerWaalsContact CG2-CG1 3.41Å; T19-Y28 CarbonylContact C-O 3.37Å; T19-Y28 WeakPolarHBondContact CA-O 3.36Å; T19-R29 HydrophobicContact CG2-CB 4.42Å; T19-L71 CarbonylContact O-C 3.53Å; T19-L71 WeakPolarHBondContact O-CA 3.22Å; T19-I72 HydrophobicContact CG2-CD1 4.44Å; T19-I72 PolarHBondContact N-O 3.44Å; T19-I72 PolarHBondContact O-N 2.89Å
20L98.1Very high97.7Very high0 Ų045 Ų450%024%0.236CC..EExtended strand (participates in β ladder)trans-128.2133.2-178.4169.3158.6000108.4T22 V27 Y28 C41 I63 I68 L71L20-T22 HydrophobicContact CD2-CG2 3.78Å; L20-V27 CarbonylContact O-C 3.49Å; L20-V27 WeakPolarHBondContact O-CA 3.31Å; L20-Y28 HydrophobicContact CD2-CD2 3.94Å; L20-Y28 HydrophobicContact CD2-CG 4.37Å; L20-Y28 PolarHBondContact N-O 2.93Å; L20-Y28 PolarHBondContact O-N 3.41Å; L20-C41 HydrophobicContact CD1-CB 4.43Å; L20-I63 HydrophobicContact CD1-CD1 4.02Å; L20-I63 HydrophobicContact CD1-CG2 4.45Å; L20-I63 HydrophobicContact CD2-CD1 3.51Å; L20-I63 HydrophobicContact CD2-CG2 4.29Å; L20-I63 HydrophobicContact CG-CD1 4.4Å; L20-I68 HydrophobicContact CD1-CD1 3.43Å; L20-I68 VanDerWaalsContact CD1-CD1 3.43Å; L20-I68 HydrophobicContact CD1-CG1 3.68Å; L20-I68 HydrophobicContact CD1-CG2 4.16Å; L20-I68 HydrophobicContact CD2-CG1 4.41Å; L20-I68 HydrophobicContact CG-CD1 4.36Å; L20-I68 HydrophobicContact CG-CG1 4.16Å; L20-I68 HydrophobicContact CG-CG2 4Å; L20-L71 HydrophobicContact CB-CD2 4.44Å; L20-L71 HydrophobicContact CD1-CD2 4.05Å
21E98.5Very high97.8Very high35 Ų3548.7 Ų48.716%0.16425%0.252CS..EExtended strand (participates in β ladder)trans-108.4130.7171.5-169.8179.412500109.7E26 V27 R69 F70E21-E26 WeakPolarHBondContact CA-O 3.46Å; E21-V27 HydrophobicContact CB-CG2 4.48Å; E21-V27 HydrophobicContact CG-CG2 4.11Å; E21-R69 WeakPolarHBondContact O-CB 3.4Å; E21-R69 PolarHBondContact O-N 2.89Å; E21-R69 WeakPolarHBondContact OE1-CD 3.46Å; E21-R69 IonicContact OE1-CZ 3.6Å; E21-R69 VanDerWaalsContact OE1-CZ 3.3Å; E21-R69 IonicContact OE1-NE 3Å; E21-R69 IonicContact OE1-NH1 2.74Å; E21-R69 PolarHBondContact OE1-NH1 3.26Å; E21-F70 HydrophobicContact CB-CD1 4.13Å; E21-F70 HydrophobicContact CB-CE1 3.65Å; E21-F70 HydrophobicContact CB-CE2 4.1Å; E21-F70 HydrophobicContact CB-CZ 3.63Å; E21-F70 VanDerWaalsContact CD-CE1 3.42Å; E21-F70 HydrophobicContact CG-CE1 4.12Å; E21-F70 HydrophobicContact CG-CZ 4.3Å; E21-F70 PolarHBondContact N-O 2.92Å; E21-F70 VanDerWaalsContact N-O 3.08Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.42Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.31Å
22T98.3Very high97.9Very high7 Ų746.1 Ų46.14%0.04324%0.24CC..EExtended strand (participates in β ladder)trans-83.1166.3176.168.50000111.8L20 N24 G25 E26 Y28 I63 K67L20-T22 HydrophobicContact CD2-CG2 3.78Å; T22-N24 PolarHBondContact O-N 3.33Å; T22-G25 PolarHBondContact O-N 2.86Å; T22-E26 PolarHBondContact N-O 3.01Å; T22-E26 PolarHBondContact OG1-N 3.29Å; T22-E26 PolarHBondContact OG1-O 3.09Å; T22-E26 PolarHBondContact OG1-OE2 3.36Å; T22-Y28 HydrophobicContact CG2-CD2 3.83Å; T22-Y28 HydrophobicContact CG2-CE2 3.44Å; T22-Y28 VanDerWaalsContact CG2-CE2 3.44Å; T22-I63 HydrophobicContact CG2-CG2 4.4Å; T22-K67 CarbonylContact C-O 3.51Å; T22-K67 WeakPolarHBondContact CA-O 3.44Å
23S97.8Very high98.1Very high50 Ų5044.5 Ų44.535%0.3523%0.234SC..THydrogen-bonded Turntrans-56.3-24.617560.10000113.1G25 K67 R69S23-G25 VanDerWaalsContact C-N 3.35Å; S23-K67 PolarHBondContact N-O 3.37Å; S23-R69 PolarHBondContact O-NH2 3.13Å
24N96Very high98.1Very high100 Ų10049.3 Ų49.354%0.53526%0.256SS..THydrogen-bonded Turntrans-86.7-6.6-179.9-63.5-4.7000113T22T22-N24 PolarHBondContact O-N 3.33Å
25G97.4Very high98.2Very high19 Ų1946.2 Ų46.220%0.19624%0.242CC..SBendtrans84.217.5-177.900000114.2T22 S23T22-G25 PolarHBondContact O-N 2.86Å; S23-G25 VanDerWaalsContact C-N 3.35Å
26E97.7Very high98.2Very high46 Ų4646.9 Ų46.922%0.21523%0.234CC..  trans-83.6136.8170.1-61.3155.4160.600108.7E21 T22 Y28 T49 F50E21-E26 WeakPolarHBondContact CA-O 3.46Å; T22-E26 PolarHBondContact N-O 3.01Å; T22-E26 PolarHBondContact OG1-N 3.29Å; T22-E26 PolarHBondContact OG1-O 3.09Å; T22-E26 PolarHBondContact OG1-OE2 3.36Å; E26-Y28 HydrophobicContact CB-CD2 4.42Å; E26-Y28 HydrophobicContact CB-CE2 3.67Å; E26-T49 WeakPolarHBondContact CA-O 3.13Å; E26-F50 HydrophobicContact CG-CD1 4.03Å
27V98.6Very high98.1Very high42 Ų4247.7 Ų47.726%0.25524%0.241SC..EExtended strand (participates in β ladder)trans-110.4123.7-176.5-179.10000109.4T19 L20 E21 V48 T49T19-V27 HydrophobicContact CG2-CG1 3.41Å; T19-V27 VanDerWaalsContact CG2-CG1 3.41Å; L20-V27 CarbonylContact O-C 3.49Å; L20-V27 WeakPolarHBondContact O-CA 3.31Å; E21-V27 HydrophobicContact CB-CG2 4.48Å; E21-V27 HydrophobicContact CG-CG2 4.11Å; V27-V48 CarbonylContact O-C 3.59Å; V27-V48 VanDerWaalsContact O-CA 3.31Å; V27-V48 WeakPolarHBondContact O-CA 3.42Å; V27-T49 PolarHBondContact N-O 2.79Å; V27-T49 PolarHBondContact O-N 2.78Å
28Y98.6Very high98Very high31 Ų3147.7 Ų47.712%0.12224%0.242CC..EExtended strand (participates in β ladder)trans-111.1120.3179.4-65.3-105.4000108.4T19 L20 T22 E26 L46 V48 V61 I63T19-Y28 CarbonylContact C-O 3.37Å; T19-Y28 WeakPolarHBondContact CA-O 3.36Å; L20-Y28 HydrophobicContact CD2-CD2 3.94Å; L20-Y28 HydrophobicContact CD2-CG 4.37Å; L20-Y28 PolarHBondContact N-O 2.93Å; L20-Y28 PolarHBondContact O-N 3.41Å; T22-Y28 HydrophobicContact CG2-CD2 3.83Å; T22-Y28 HydrophobicContact CG2-CE2 3.44Å; T22-Y28 VanDerWaalsContact CG2-CE2 3.44Å; E26-Y28 HydrophobicContact CB-CD2 4.42Å; E26-Y28 HydrophobicContact CB-CE2 3.67Å; Y28-L46 HydrophobicContact CD1-CD1 3.58Å; Y28-L46 HydrophobicContact CE1-CD1 4.36Å; Y28-V48 HydrophobicContact CD1-CB 4.4Å; Y28-V48 HydrophobicContact CD1-CG1 4.18Å; Y28-V48 HydrophobicContact CD1-CG2 3.44Å; Y28-V48 VanDerWaalsContact CD1-CG2 3.44Å; Y28-V48 HydrophobicContact CE1-CB 4.37Å; Y28-V48 HydrophobicContact CE1-CG1 3.86Å; Y28-V48 HydrophobicContact CE1-CG2 3.51Å; Y28-V48 HydrophobicContact CE2-CG1 4.26Å; Y28-V48 HydrophobicContact CG-CG1 4.49Å; Y28-V48 HydrophobicContact CG-CG2 4.25Å; Y28-V61 HydrophobicContact CD1-CG1 4.38Å; Y28-V61 HydrophobicContact CE1-CG1 4.12Å; Y28-I63 HydrophobicContact CD1-CD1 3.71Å; Y28-I63 HydrophobicContact CD2-CD1 3.87Å; Y28-I63 HydrophobicContact CE1-CD1 4.11Å; Y28-I63 HydrophobicContact CE2-CD1 4.25Å; Y28-I63 HydrophobicContact CG-CD1 3.6Å
29R98.6Very high98Very high141 Ų14151.6 Ų51.653%0.53226%0.261SS..EExtended strand (participates in β ladder)trans-121.7115.1175.6-178.2179176.9-80-0.5109.8I17 I18 T19 L46 T47I17-R29 HydrophobicContact CG2-CG 4.2Å; I18-R29 WeakPolarHBondContact O-CA 3.34Å; T19-R29 HydrophobicContact CG2-CB 4.42Å; R29-L46 CarbonylContact O-C 3.53Å; R29-L46 VanDerWaalsContact O-CA 3.22Å; R29-L46 WeakPolarHBondContact O-CA 3.36Å; R29-L46 WeakPolarHBondContact O-CB 3.41Å; R29-T47 PolarHBondContact N-O 3.19Å; R29-T47 PolarHBondContact O-N 2.95Å
30G98.5Very high98Very high2 Ų251 Ų512%0.02126%0.257CS..EExtended strand (participates in β ladder)trans-170.7-175.8-177.200000112.1I17 I18I17-G30 WeakPolarHBondContact CA-O 3.29Å; I18-G30 PolarHBondContact N-O 3.47Å; I18-G30 PolarHBondContact O-N 3.09Å
31K98.6Very high98Very high85 Ų8551 Ų5137%0.3726%0.257SS..EExtended strand (participates in β ladder)trans-77.4122.5178.2-172.5178177.7-179.40109.9G15 H16 I17 I33 L43 A44G15-K31 VanDerWaalsContact O-CE 3.25Å; G15-K31 WeakPolarHBondContact O-CE 3.38Å; H16-K31 WeakPolarHBondContact O-CA 3.36Å; I17-K31 HydrophobicContact CD1-CB 3.91Å; K31-I33 HydrophobicContact CD-CD1 4.1Å; K31-I33 HydrophobicContact CG-CD1 4.16Å; K31-I33 PolarHBondContact O-N 3.02Å; K31-L43 CarbonylContact O-C 3.59Å; K31-L43 WeakPolarHBondContact O-CA 3.29Å; K31-A44 PolarHBondContact N-O 3.25Å; K31-A44 PolarHBondContact O-N 3.36Å
32L98.7Very high98Very high0 Ų052.1 Ų52.10%026%0.262CS..EExtended strand (participates in β ladder)trans-70.2117.3170-178.461.1000108.6L10 A13 E14 G15 H16 I18 E34 A35 C41L10-L32 HydrophobicContact CD1-CD2 4.1Å; A13-L32 HydrophobicContact CB-CD2 4.1Å; E14-L32 HydrophobicContact CG-CD2 4.17Å; E14-L32 HydrophobicContact CG-CG 4.29Å; G15-L32 WeakPolarHBondContact CA-O 3.06Å; G15-L32 PolarHBondContact N-O 2.74Å; H16-L32 PolarHBondContact O-N 2.6Å; I18-L32 HydrophobicContact CD1-CB 3.91Å; I18-L32 HydrophobicContact CD1-CD1 4Å; I18-L32 HydrophobicContact CD1-CD2 4.23Å; I18-L32 HydrophobicContact CD1-CG 4.27Å; I18-L32 HydrophobicContact CG1-CB 3.97Å; I18-L32 HydrophobicContact CG2-CB 4.13Å; I18-L32 HydrophobicContact CG2-CD2 4.42Å; L32-E34 WeakPolarHBondContact CD1-O 3.47Å; L32-A35 HydrophobicContact CD1-CB 4.39Å; L32-A35 HydrophobicContact CD2-CB 4.21Å; L32-C41 HydrophobicContact CD1-CB 3.92Å
33I98.5Very high98Very high68 Ų6851.8 Ų51.835%0.34926%0.26SS..EExtended strand (participates in β ladder)trans-88.4-47.9178-60.6-56000110.2K31 Q42 A44K31-I33 HydrophobicContact CD-CD1 4.1Å; K31-I33 HydrophobicContact CG-CD1 4.16Å; K31-I33 PolarHBondContact O-N 3.02Å; I33-Q42 HydrophobicContact CB-CB 4.24Å; I33-Q42 HydrophobicContact CB-CG 4.13Å; I33-Q42 HydrophobicContact CG2-CG 4.46Å; I33-Q42 PolarHBondContact N-O 3.06Å; I33-A44 HydrophobicContact CD1-CB 3.78Å; I33-A44 HydrophobicContact CG1-CB 3.7Å
34E98.4Very high98Very high101 Ų10149.9 Ų49.947%0.47225%0.248SC..EExtended strand (participates in β ladder)trans-148.9138.3-177.5-175.2174.3-165.400109.5L32 C41 Q42L32-E34 WeakPolarHBondContact CD1-O 3.47Å; E34-C41 WeakPolarHBondContact O-CA 3.35Å; E34-Q42 HydrophobicContact CB-CB 4.29Å; E34-Q42 PolarHBondContact N-O 3.47Å; E34-Q42 PolarHBondContact O-N 3.33Å
35A98.2Very high98.1Very high3 Ų351.1 Ų51.13%0.02525%0.254CS..EExtended strand (participates in β ladder)trans-119.1129.2167.900000110L10 H11 E14 L32 N40L10-A35 HydrophobicContact CD1-CB 4.41Å; L10-A35 HydrophobicContact CD2-CB 4Å; L10-A35 HydrophobicContact CG-CB 3.75Å; H11-A35 PolarHBondContact CE1-O 3.38Å; H11-A35 PolarHBondContact ND1-O 2.95Å; H11-A35 VanDerWaalsContact ND1-O 3.17Å; E14-A35 HydrophobicContact CG-CB 4.43Å; E14-A35 PolarHBondContact OE1-N 3.36Å; E14-A35 VanDerWaalsContact OE1-N 3.11Å; L32-A35 HydrophobicContact CD1-CB 4.39Å; L32-A35 HydrophobicContact CD2-CB 4.21Å; A35-N40 WeakPolarHBondContact CA-O 3.49Å
36E97.8Very high98.1Very high57 Ų5750.2 Ų50.227%0.26625%0.245SC..  trans-91162.9175.5-68.6174.8-140.200112N38 M39 N40 Y62E36-N38 VanDerWaalsContact CB-OD1 3.26Å; E36-N38 WeakPolarHBondContact CB-OD1 3.21Å; E36-N38 PolarHBondContact O-N 2.8Å; E36-N38 VanDerWaalsContact O-N 3.1Å; E36-N38 PolarHBondContact OE2-ND2 3.08Å; E36-N38 PolarHBondContact OE2-OD1 2.89Å; E36-M39 WeakPolarHBondContact O-CA 3.21Å; E36-M39 PolarHBondContact O-N 2.84Å; E36-N40 HydrophobicContact CB-CB 4.09Å; E36-N40 HydrophobicContact CG-CB 4.16Å; E36-N40 PolarHBondContact N-O 3.01Å; E36-N40 PolarHBondContact OE2-ND2 3.26Å; E36-Y62 PolarHBondContact OE1-OH 3.37Å
37D96.8Very high98.2Very high101 Ų10149.7 Ų49.754%0.5425%0.245SC..THydrogen-bonded Turntrans-59.3-23.3176.5-78.5-18.3000114.2I3 L7 H11 M39I3-D37 VanDerWaalsContact CD1-OD1 3.24Å; I3-D37 WeakPolarHBondContact CD1-OD1 3.48Å; L7-D37 HydrophobicContact CD2-CB 4.09Å; L7-D37 WeakPolarHBondContact CD2-O 3.47Å; H11-D37 IonicContact NE2-OD1 2.6Å; H11-D37 PolarHBondContact NE2-OD1 2.89Å; D37-M39 VanDerWaalsContact C-N 3.27Å
38N96.6Very high98.1Very high84 Ų8447.7 Ų47.745%0.44923%0.233SC..THydrogen-bonded Turntrans-90.59.8176.260.823.6000112.6E36 N40E36-N38 VanDerWaalsContact CB-OD1 3.26Å; E36-N38 WeakPolarHBondContact CB-OD1 3.21Å; E36-N38 PolarHBondContact O-N 2.8Å; E36-N38 VanDerWaalsContact O-N 3.1Å; E36-N38 PolarHBondContact OE2-ND2 3.08Å; E36-N38 PolarHBondContact OE2-OD1 2.89Å; N38-N40 VanDerWaalsContact C-N 3.26Å; N38-N40 PolarHBondContact ND2-ND2 3.2Å; N38-N40 PolarHBondContact O-N 2.81Å; N38-N40 VanDerWaalsContact OD1-CB 3.26Å; N38-N40 WeakPolarHBondContact OD1-CB 3.43Å; N38-N40 PolarHBondContact OD1-N 2.92Å; N38-N40 PolarHBondContact OD1-ND2 3.47Å; N38-N40 PolarHBondContact OD1-OD1 2.93Å
39M97.8Very high98.1Very high83 Ų8348.8 Ų48.841%0.40924%0.243SC..  trans64.215.9-173.7-52.9-174.6-62.100115.2L10 E36 D37 C41 G65 I68L10-M39 HydrophobicContact CD2-CG 4.39Å; E36-M39 WeakPolarHBondContact O-CA 3.21Å; E36-M39 PolarHBondContact O-N 2.84Å; D37-M39 VanDerWaalsContact C-N 3.27Å; M39-C41 PolarHBondContact O-N 3.47Å; M39-C41 PolarHBondContact O-SG 3.44Å; M39-C41 VanDerWaalsContact O-SG 3.33Å; M39-G65 WeakPolarHBondContact O-CA 3.13Å; M39-I68 WeakPolarHBondContact O-CD1 3.25Å
40N98.2Very high98.1Very high17 Ų1744.9 Ų44.99%0.09123%0.23CC..  trans-59.9138.9165.2-62.8-24.8000108.7A35 E36 N38 Y62 I63 R64 G65A35-N40 WeakPolarHBondContact CA-O 3.49Å; E36-N40 HydrophobicContact CB-CB 4.09Å; E36-N40 HydrophobicContact CG-CB 4.16Å; E36-N40 PolarHBondContact N-O 3.01Å; E36-N40 PolarHBondContact OE2-ND2 3.26Å; N38-N40 VanDerWaalsContact C-N 3.26Å; N38-N40 PolarHBondContact ND2-ND2 3.2Å; N38-N40 PolarHBondContact O-N 2.81Å; N38-N40 VanDerWaalsContact OD1-CB 3.26Å; N38-N40 WeakPolarHBondContact OD1-CB 3.43Å; N38-N40 PolarHBondContact OD1-N 2.92Å; N38-N40 PolarHBondContact OD1-ND2 3.47Å; N38-N40 PolarHBondContact OD1-OD1 2.93Å; N40-Y62 HydrophobicContact CB-CE1 4.34Å; N40-Y62 HydrophobicContact CB-CE2 4.14Å; N40-Y62 VanDerWaalsContact CB-OH 3.27Å; N40-Y62 WeakPolarHBondContact CB-OH 3.26Å; N40-Y62 PolarHBondContact ND2-OH 3.17Å; N40-I63 CarbonylContact C-O 3.57Å; N40-I63 VanDerWaalsContact CA-O 3.32Å; N40-I63 WeakPolarHBondContact CA-O 3.37Å; N40-R64 WeakPolarHBondContact OD1-CA 3.18Å; N40-G65 PolarHBondContact OD1-N 3.17Å
41C98.5Very high98Very high0 Ų055 Ų550%027%0.267CS..EExtended strand (participates in β ladder)trans-130.9127.7-176-64.90000110.2L20 L32 E34 M39 L43 I63L20-C41 HydrophobicContact CD1-CB 4.43Å; L32-C41 HydrophobicContact CD1-CB 3.92Å; E34-C41 WeakPolarHBondContact O-CA 3.35Å; M39-C41 PolarHBondContact O-N 3.47Å; M39-C41 PolarHBondContact O-SG 3.44Å; M39-C41 VanDerWaalsContact O-SG 3.33Å; C41-L43 HydrophobicContact CB-CD1 3.93Å; C41-I63 PolarHBondContact N-O 3.42Å; C41-I63 PolarHBondContact O-N 3.11Å
42Q98.6Very high97.9Very high58 Ų5855.8 Ų55.827%0.27128%0.275SS..EExtended strand (participates in β ladder)trans-94.1127.4165.2-172.2176.3-200108.9I33 E34 V61 Y62I33-Q42 HydrophobicContact CB-CB 4.24Å; I33-Q42 HydrophobicContact CB-CG 4.13Å; I33-Q42 HydrophobicContact CG2-CG 4.46Å; I33-Q42 PolarHBondContact N-O 3.06Å; E34-Q42 HydrophobicContact CB-CB 4.29Å; E34-Q42 PolarHBondContact N-O 3.47Å; E34-Q42 PolarHBondContact O-N 3.33Å; Q42-V61 WeakPolarHBondContact CA-O 3.25Å; Q42-Y62 HydrophobicContact CB-CD2 4.28Å
43L98.5Very high97.8Very high0 Ų058.1 Ų58.10%030%0.3CS..EExtended strand (participates in β ladder)trans-120.2149.8175.6-6496.3000110.7I18 K31 C41 L46 Q60 V61 I63I18-L43 HydrophobicContact CD1-CD2 3.92Å; I18-L43 HydrophobicContact CG1-CD2 3.87Å; K31-L43 CarbonylContact O-C 3.59Å; K31-L43 WeakPolarHBondContact O-CA 3.29Å; C41-L43 HydrophobicContact CB-CD1 3.93Å; L43-L46 HydrophobicContact CB-CD2 4.36Å; L43-Q60 WeakPolarHBondContact O-CA 3.44Å; L43-V61 PolarHBondContact N-O 3.2Å; L43-V61 PolarHBondContact O-N 3.04Å; L43-I63 HydrophobicContact CD1-CD1 3.88Å; L43-I63 HydrophobicContact CD1-CG1 4.17Å
44A98.4Very high97.7Very high10 Ų1061.2 Ų61.28%0.08331%0.311CS..EExtended strand (participates in β ladder)trans-128.1161.417100000111.5K31 I33 L46 E59 Q60K31-A44 PolarHBondContact N-O 3.25Å; K31-A44 PolarHBondContact O-N 3.36Å; I33-A44 HydrophobicContact CD1-CB 3.78Å; I33-A44 HydrophobicContact CG1-CB 3.7Å; A44-L46 PolarHBondContact O-N 3.13Å; A44-E59 CarbonylContact C-O 3.6Å; A44-E59 WeakPolarHBondContact CA-O 3.42Å; A44-Q60 HydrophobicContact CB-CG 4.42Å
45D98Very high97.7Very high125 Ų12560.4 Ų60.467%0.66831%0.312SS*.EExtended strand (participates in β ladder)trans48.560.7176.2-57.7-43.7000111.7E59D45-E59 PolarHBondContact N-O 2.95Å
46L97.1Very high97.7Very high0 Ų064.5 Ų64.50%033%0.333CS..EExtended strand (participates in β ladder)trans-116.8145.3-165.767.4140.4000113.8Y28 R29 L43 A44 V48 Q57 L58 V61Y28-L46 HydrophobicContact CD1-CD1 3.58Å; Y28-L46 HydrophobicContact CE1-CD1 4.36Å; R29-L46 CarbonylContact O-C 3.53Å; R29-L46 VanDerWaalsContact O-CA 3.22Å; R29-L46 WeakPolarHBondContact O-CA 3.36Å; R29-L46 WeakPolarHBondContact O-CB 3.41Å; L43-L46 HydrophobicContact CB-CD2 4.36Å; A44-L46 PolarHBondContact O-N 3.13Å; L46-V48 HydrophobicContact CD1-CG2 3.61Å; L46-Q57 WeakPolarHBondContact O-CA 3.28Å; L46-Q57 PolarHBondContact O-OE1 3.15Å; L46-L58 HydrophobicContact CD1-CB 4.34Å; L46-L58 HydrophobicContact CD1-CD1 4.45Å; L46-L58 HydrophobicContact CD2-CB 4.08Å; L46-L58 VanDerWaalsContact CD2-O 3.29Å; L46-L58 WeakPolarHBondContact CD2-O 3.33Å; L46-L58 HydrophobicContact CG-CB 3.97Å; L46-L58 PolarHBondContact N-O 3.36Å; L46-L58 PolarHBondContact O-N 3.23Å; L46-V61 HydrophobicContact CD1-CB 4Å; L46-V61 HydrophobicContact CD1-CG2 3.69Å; L46-V61 HydrophobicContact CD2-CB 4.13Å; L46-V61 HydrophobicContact CD2-CG2 3.96Å; L46-V61 HydrophobicContact CG-CG2 4.37Å
47T98.4Very high97.7Very high36 Ų3668 Ų6822%0.22135%0.35CS..EExtended strand (participates in β ladder)trans-101.6123.7167.8-53.50000108.9R29 V55 L56 Q57R29-T47 PolarHBondContact N-O 3.19Å; R29-T47 PolarHBondContact O-N 2.95Å; T47-V55 HydrophobicContact CG2-CG1 3.34Å; T47-L56 CarbonylContact C-O 3.56Å; T47-L56 WeakPolarHBondContact CA-O 3.5Å; T47-Q57 VanDerWaalsContact OG1-CD 3.24Å; T47-Q57 PolarHBondContact OG1-NE2 2.9Å; T47-Q57 PolarHBondContact OG1-OE1 3.36Å
48V98.2Very high97.8Very high0 Ų066.4 Ų66.40%034%0.341CS..EExtended strand (participates in β ladder)trans-103.2130.7174.4-173.70000109.4V27 Y28 L46 F50 V55 L56 L58V27-V48 CarbonylContact O-C 3.59Å; V27-V48 VanDerWaalsContact O-CA 3.31Å; V27-V48 WeakPolarHBondContact O-CA 3.42Å; Y28-V48 HydrophobicContact CD1-CB 4.4Å; Y28-V48 HydrophobicContact CD1-CG1 4.18Å; Y28-V48 HydrophobicContact CD1-CG2 3.44Å; Y28-V48 VanDerWaalsContact CD1-CG2 3.44Å; Y28-V48 HydrophobicContact CE1-CB 4.37Å; Y28-V48 HydrophobicContact CE1-CG1 3.86Å; Y28-V48 HydrophobicContact CE1-CG2 3.51Å; Y28-V48 HydrophobicContact CE2-CG1 4.26Å; Y28-V48 HydrophobicContact CG-CG1 4.49Å; Y28-V48 HydrophobicContact CG-CG2 4.25Å; L46-V48 HydrophobicContact CD1-CG2 3.61Å; V48-F50 HydrophobicContact CB-CE2 4.39Å; V48-F50 HydrophobicContact CG1-CD2 4.4Å; V48-F50 HydrophobicContact CG1-CE1 4.33Å; V48-F50 HydrophobicContact CG1-CE2 3.99Å; V48-F50 HydrophobicContact CG1-CZ 3.97Å; V48-V55 CarbonylContact O-C 3.51Å; V48-V55 VanDerWaalsContact O-CA 3.25Å; V48-V55 WeakPolarHBondContact O-CA 3.24Å; V48-L56 PolarHBondContact N-O 3.45Å; V48-L56 PolarHBondContact O-N 3.33Å; V48-L58 HydrophobicContact CG2-CD1 3.6Å; V48-L58 HydrophobicContact CG2-CG 4.21Å
49T98.4Very high97.8Very high54 Ų5470.3 Ų70.333%0.33136%0.356SS..EExtended strand (participates in β ladder)trans-111.7114.7170.3-52.80000108.8E26 V27 K54 V55E26-T49 WeakPolarHBondContact CA-O 3.13Å; V27-T49 PolarHBondContact N-O 2.79Å; V27-T49 PolarHBondContact O-N 2.78Å; T49-K54 CarbonylContact C-O 3.54Å; T49-K54 WeakPolarHBondContact CA-O 3.45Å; T49-V55 HydrophobicContact CG2-CG2 4.33Å
50F97.7Very high97.8Very high59 Ų5972.9 Ų72.926%0.25937%0.367SS..  trans-78.1164.2176.9-66.3-85.4000110.9E26 V48 D52 G53 K54 L56E26-F50 HydrophobicContact CG-CD1 4.03Å; V48-F50 HydrophobicContact CB-CE2 4.39Å; V48-F50 HydrophobicContact CG1-CD2 4.4Å; V48-F50 HydrophobicContact CG1-CE1 4.33Å; V48-F50 HydrophobicContact CG1-CE2 3.99Å; V48-F50 HydrophobicContact CG1-CZ 3.97Å; F50-D52 WeakPolarHBondContact CB-OD1 3.42Å; F50-D52 PolarHBondContact O-N 3.06Å; F50-G53 WeakPolarHBondContact O-CA 3.06Å; F50-G53 PolarHBondContact O-N 3.04Å; F50-K54 HydrophobicContact CB-CB 4.46Å; F50-K54 HydrophobicContact CD2-CB 4.19Å; F50-K54 WeakPolarHBondContact CD2-O 3.4Å; F50-K54 PolarHBondContact N-O 2.83Å; F50-L56 HydrophobicContact CE2-CB 4.11Å; F50-L56 HydrophobicContact CE2-CD1 3.5Å; F50-L56 VanDerWaalsContact CE2-CD1 3.5Å; F50-L56 HydrophobicContact CE2-CG 3.71Å; F50-L56 HydrophobicContact CZ-CD1 3.92Å
51R96.2Very high97.8Very high215 Ų21573.5 Ų73.581%0.81137%0.372SS*.THydrogen-bonded Turntrans-61.1-26.4-179.5-169.5175.2-175.8-1770.9113.8G53R51-G53 PolarHBondContact O-N 2.91Å
52D96.7Very high97.8Very high100 Ų10079.5 Ų79.554%0.53540%0.395SS..THydrogen-bonded Turntrans-81.43174.867.9-11.1000113.2F50 K54F50-D52 WeakPolarHBondContact CB-OD1 3.42Å; F50-D52 PolarHBondContact O-N 3.06Å; D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 WeakPolarHBondContact OD1-CB 3.15Å; D52-K54 WeakPolarHBondContact OD1-CG 3.42Å; D52-K54 PolarHBondContact OD1-N 3.49Å; D52-K54 VanDerWaalsContact OD1-N 3.1Å; D52-K54 VanDerWaalsContact OD2-CD 3.29Å; D52-K54 WeakPolarHBondContact OD2-CD 3.49Å; D52-K54 VanDerWaalsContact OD2-CE 3.28Å; D52-K54 WeakPolarHBondContact OD2-CE 3.27Å; D52-K54 WeakPolarHBondContact OD2-CG 3.43Å; D52-K54 IonicContact OD2-NZ 3.3Å; D52-K54 PolarHBondContact OD2-NZ 2.73Å
53G96.5Very high97.8Very high50 Ų5077.3 Ų77.352%0.51539%0.385SS..SBendtrans83.5-1-179.300000114.2F50 R51F50-G53 WeakPolarHBondContact O-CA 3.06Å; F50-G53 PolarHBondContact O-N 3.04Å; R51-G53 PolarHBondContact O-N 2.91Å
54K97.7Very high97.8Very high133 Ų13385.1 Ų85.158%0.57842%0.415SS*.  trans-65141.8174.3-70.9-176.5-173.2124.40110.4T49 F50 D52T49-K54 CarbonylContact C-O 3.54Å; T49-K54 WeakPolarHBondContact CA-O 3.45Å; F50-K54 HydrophobicContact CB-CB 4.46Å; F50-K54 HydrophobicContact CD2-CB 4.19Å; F50-K54 WeakPolarHBondContact CD2-O 3.4Å; F50-K54 PolarHBondContact N-O 2.83Å; D52-K54 VanDerWaalsContact C-N 3.3Å; D52-K54 WeakPolarHBondContact OD1-CB 3.15Å; D52-K54 WeakPolarHBondContact OD1-CG 3.42Å; D52-K54 PolarHBondContact OD1-N 3.49Å; D52-K54 VanDerWaalsContact OD1-N 3.1Å; D52-K54 VanDerWaalsContact OD2-CD 3.29Å; D52-K54 WeakPolarHBondContact OD2-CD 3.49Å; D52-K54 VanDerWaalsContact OD2-CE 3.28Å; D52-K54 WeakPolarHBondContact OD2-CE 3.27Å; D52-K54 WeakPolarHBondContact OD2-CG 3.43Å; D52-K54 IonicContact OD2-NZ 3.3Å; D52-K54 PolarHBondContact OD2-NZ 2.73Å
55V98.2Very high97.7Very high83 Ų8384.7 Ų84.750%0.50341%0.411SS..EExtended strand (participates in β ladder)trans-117.2128.7179-178.50000109.3T47 V48 T49T47-V55 HydrophobicContact CG2-CG1 3.34Å; V48-V55 CarbonylContact O-C 3.51Å; V48-V55 VanDerWaalsContact O-CA 3.25Å; V48-V55 WeakPolarHBondContact O-CA 3.24Å; T49-V55 HydrophobicContact CG2-CG2 4.33Å
56L97.8Very high97.7Very high90 Ų9082.4 Ų82.447%0.47141%0.405SS..EExtended strand (participates in β ladder)trans-124.3147.4173-66-177.8000110.3T47 V48 F50T47-L56 CarbonylContact C-O 3.56Å; T47-L56 WeakPolarHBondContact CA-O 3.5Å; V48-L56 PolarHBondContact N-O 3.45Å; V48-L56 PolarHBondContact O-N 3.33Å; F50-L56 HydrophobicContact CE2-CB 4.11Å; F50-L56 HydrophobicContact CE2-CD1 3.5Å; F50-L56 VanDerWaalsContact CE2-CD1 3.5Å; F50-L56 HydrophobicContact CE2-CG 3.71Å; F50-L56 HydrophobicContact CZ-CD1 3.92Å
57Q98Very high97.8Very high131 Ų13187.9 Ų87.961%0.61243%0.429SS*.EExtended strand (participates in β ladder)trans-98.6133.1167.9-62-63.6-19.300108.4L46 T47L46-Q57 WeakPolarHBondContact O-CA 3.28Å; L46-Q57 PolarHBondContact O-OE1 3.15Å; T47-Q57 VanDerWaalsContact OG1-CD 3.24Å; T47-Q57 PolarHBondContact OG1-NE2 2.9Å; T47-Q57 PolarHBondContact OG1-OE1 3.36Å
58L97.5Very high97.8Very high67 Ų6787.2 Ų87.235%0.35142%0.424SS..EExtended strand (participates in β ladder)trans-129.4142.2176.9-57.5174.7000109.2L46 V48 V61L46-L58 HydrophobicContact CD1-CB 4.34Å; L46-L58 HydrophobicContact CD1-CD1 4.45Å; L46-L58 HydrophobicContact CD2-CB 4.08Å; L46-L58 VanDerWaalsContact CD2-O 3.29Å; L46-L58 WeakPolarHBondContact CD2-O 3.33Å; L46-L58 HydrophobicContact CG-CB 3.97Å; L46-L58 PolarHBondContact N-O 3.36Å; L46-L58 PolarHBondContact O-N 3.23Å; V48-L58 HydrophobicContact CG2-CD1 3.6Å; V48-L58 HydrophobicContact CG2-CG 4.21Å; L58-V61 HydrophobicContact CB-CG2 4.15Å; L58-V61 HydrophobicContact CD1-CG2 3.54Å
59E97.9Very high97.8Very high165 Ų16594 Ų9477%0.77145%0.449SS*.EExtended strand (participates in β ladder)trans-74.1-44.2-180-65.3-178.5174.900111.7A44 D45A44-E59 CarbonylContact C-O 3.6Å; A44-E59 WeakPolarHBondContact CA-O 3.42Å; D45-E59 PolarHBondContact N-O 2.95Å
60Q97.9Very high97.8Very high138 Ų13895.5 Ų95.565%0.64545%0.452SS*.EExtended strand (participates in β ladder)trans-147143.2-178.8-64.7-173.8-0.800111.3L43 A44L43-Q60 WeakPolarHBondContact O-CA 3.44Å; A44-Q60 HydrophobicContact CB-CG 4.42Å
61V97.9Very high97.8Very high29 Ų2995 Ų9518%0.17645%0.451CS..EExtended strand (participates in β ladder)trans-142.6145.2173.51720000109.9Y28 Q42 L43 L46 L58 I63Y28-V61 HydrophobicContact CD1-CG1 4.38Å; Y28-V61 HydrophobicContact CE1-CG1 4.12Å; Q42-V61 WeakPolarHBondContact CA-O 3.25Å; L43-V61 PolarHBondContact N-O 3.2Å; L43-V61 PolarHBondContact O-N 3.04Å; L46-V61 HydrophobicContact CD1-CB 4Å; L46-V61 HydrophobicContact CD1-CG2 3.69Å; L46-V61 HydrophobicContact CD2-CB 4.13Å; L46-V61 HydrophobicContact CD2-CG2 3.96Å; L46-V61 HydrophobicContact CG-CG2 4.37Å; L58-V61 HydrophobicContact CB-CG2 4.15Å; L58-V61 HydrophobicContact CD1-CG2 3.54Å; V61-I63 HydrophobicContact CG1-CD1 4.18Å; V61-I63 HydrophobicContact CG1-CG1 3.57Å
62Y98.2Very high97.9Very high126 Ų12689.2 Ų89.249%0.49444%0.435SS..EExtended strand (participates in β ladder)trans-114.6121.3167.1-177.4-93.7000109.8E36 N40 Q42E36-Y62 PolarHBondContact OE1-OH 3.37Å; N40-Y62 HydrophobicContact CB-CE1 4.34Å; N40-Y62 HydrophobicContact CB-CE2 4.14Å; N40-Y62 VanDerWaalsContact CB-OH 3.27Å; N40-Y62 WeakPolarHBondContact CB-OH 3.26Å; N40-Y62 PolarHBondContact ND2-OH 3.17Å; Q42-Y62 HydrophobicContact CB-CD2 4.28Å
63I98Very high97.9Very high13 Ų1386.6 Ų86.67%0.06742%0.421CS..EExtended strand (participates in β ladder)trans-111.7126.6-176.8-53.6-175.9000109.3L20 T22 Y28 N40 C41 L43 V61 G65 I68L20-I63 HydrophobicContact CD1-CD1 4.02Å; L20-I63 HydrophobicContact CD1-CG2 4.45Å; L20-I63 HydrophobicContact CD2-CD1 3.51Å; L20-I63 HydrophobicContact CD2-CG2 4.29Å; L20-I63 HydrophobicContact CG-CD1 4.4Å; T22-I63 HydrophobicContact CG2-CG2 4.4Å; Y28-I63 HydrophobicContact CD1-CD1 3.71Å; Y28-I63 HydrophobicContact CD2-CD1 3.87Å; Y28-I63 HydrophobicContact CE1-CD1 4.11Å; Y28-I63 HydrophobicContact CE2-CD1 4.25Å; Y28-I63 HydrophobicContact CG-CD1 3.6Å; N40-I63 CarbonylContact C-O 3.57Å; N40-I63 VanDerWaalsContact CA-O 3.32Å; N40-I63 WeakPolarHBondContact CA-O 3.37Å; C41-I63 PolarHBondContact N-O 3.42Å; C41-I63 PolarHBondContact O-N 3.11Å; L43-I63 HydrophobicContact CD1-CD1 3.88Å; L43-I63 HydrophobicContact CD1-CG1 4.17Å; V61-I63 HydrophobicContact CG1-CD1 4.18Å; V61-I63 HydrophobicContact CG1-CG1 3.57Å; I63-G65 PolarHBondContact O-N 2.93Å; I63-I68 HydrophobicContact CG2-CG1 4.01Å
64R98.3Very high97.9Very high163 Ų16385.5 Ų85.562%0.61541%0.405SS*.  trans-68.6129174.5-176-178.2171.7103.10.9111N40 S66 K67N40-R64 WeakPolarHBondContact OD1-CA 3.18Å; R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 VanDerWaalsContact CD-OG 3.31Å; R64-S66 WeakPolarHBondContact CD-OG 3.32Å; R64-S66 WeakPolarHBondContact CG-OG 3.47Å; R64-S66 PolarHBondContact NE-OG 3.45Å; R64-S66 PolarHBondContact O-N 3.11Å; R64-K67 HydrophobicContact CB-CG 4.43Å; R64-K67 WeakPolarHBondContact O-CB 3.41Å; R64-K67 PolarHBondContact O-N 3.45Å
65G98Very high97.8Very high1 Ų185.1 Ų85.11%0.0141%0.409CS..G310 helixtrans-58.4-35.2-175.500000114.8M39 N40 I63 K67 I68M39-G65 WeakPolarHBondContact O-CA 3.13Å; N40-G65 PolarHBondContact OD1-N 3.17Å; I63-G65 PolarHBondContact O-N 2.93Å; G65-K67 PolarHBondContact O-N 3.27Å; G65-I68 WeakPolarHBondContact O-CB 3.42Å; G65-I68 PolarHBondContact O-N 3.05Å
66S98.1Very high97.5Very high78 Ų7888 Ų8855%0.54542%0.419SS..G310 helixtrans-65.5-10175.567.80000114.5R64R64-S66 VanDerWaalsContact C-N 3.29Å; R64-S66 VanDerWaalsContact CD-OG 3.31Å; R64-S66 WeakPolarHBondContact CD-OG 3.32Å; R64-S66 WeakPolarHBondContact CG-OG 3.47Å; R64-S66 PolarHBondContact NE-OG 3.45Å; R64-S66 PolarHBondContact O-N 3.11Å
67K98.1Very high97.2Very high114 Ų11484.7 Ų84.750%0.49640%0.402SS..G310 helixtrans-101.5-1176.4-61.7-60.8-173.91790112.3T22 S23 R64 G65T22-K67 CarbonylContact C-O 3.51Å; T22-K67 WeakPolarHBondContact CA-O 3.44Å; S23-K67 PolarHBondContact N-O 3.37Å; R64-K67 HydrophobicContact CB-CG 4.43Å; R64-K67 WeakPolarHBondContact O-CB 3.41Å; R64-K67 PolarHBondContact O-N 3.45Å; G65-K67 PolarHBondContact O-N 3.27Å
68I98.3Very high96.8Very high22 Ų2285.1 Ų85.111%0.11340%0.402CS..EExtended strand (participates in β ladder)trans-84.8130.4178.6-57.8176.1000109.3L20 M39 I63 G65 L71L20-I68 HydrophobicContact CD1-CD1 3.43Å; L20-I68 VanDerWaalsContact CD1-CD1 3.43Å; L20-I68 HydrophobicContact CD1-CG1 3.68Å; L20-I68 HydrophobicContact CD1-CG2 4.16Å; L20-I68 HydrophobicContact CD2-CG1 4.41Å; L20-I68 HydrophobicContact CG-CD1 4.36Å; L20-I68 HydrophobicContact CG-CG1 4.16Å; L20-I68 HydrophobicContact CG-CG2 4Å; M39-I68 WeakPolarHBondContact O-CD1 3.25Å; I63-I68 HydrophobicContact CG2-CG1 4.01Å; G65-I68 WeakPolarHBondContact O-CB 3.42Å; G65-I68 PolarHBondContact O-N 3.05Å; I68-L71 HydrophobicContact CG2-CD1 3.82Å; I68-L71 HydrophobicContact CG2-CG 4.01Å
69R98.1Very high96.2Very high142 Ų14287.3 Ų87.354%0.53641%0.414SS..EExtended strand (participates in β ladder)trans-87.3-51.7173.9-172.6-176.3-67.3176.9-2.5110.8E21 S23E21-R69 WeakPolarHBondContact O-CB 3.4Å; E21-R69 PolarHBondContact O-N 2.89Å; E21-R69 WeakPolarHBondContact OE1-CD 3.46Å; E21-R69 IonicContact OE1-CZ 3.6Å; E21-R69 VanDerWaalsContact OE1-CZ 3.3Å; E21-R69 IonicContact OE1-NE 3Å; E21-R69 IonicContact OE1-NH1 2.74Å; E21-R69 PolarHBondContact OE1-NH1 3.26Å; S23-R69 PolarHBondContact O-NH2 3.13Å
70F98.3Very high95.5Very high87 Ų8780 Ų8038%0.38238%0.381SS..EExtended strand (participates in β ladder)trans-156.1164.5173.764.5-95.9000110.9E21 I72E21-F70 HydrophobicContact CB-CD1 4.13Å; E21-F70 HydrophobicContact CB-CE1 3.65Å; E21-F70 HydrophobicContact CB-CE2 4.1Å; E21-F70 HydrophobicContact CB-CZ 3.63Å; E21-F70 VanDerWaalsContact CD-CE1 3.42Å; E21-F70 HydrophobicContact CG-CE1 4.12Å; E21-F70 HydrophobicContact CG-CZ 4.3Å; E21-F70 PolarHBondContact N-O 2.92Å; E21-F70 VanDerWaalsContact N-O 3.08Å; E21-F70 WeakPolarHBondContact OE2-CE1 3.42Å; E21-F70 WeakPolarHBondContact OE2-CZ 3.31Å; F70-I72 HydrophobicContact CD2-CG1 4.11Å; F70-I72 HydrophobicContact CE2-CD1 4.02Å; F70-I72 HydrophobicContact CE2-CG1 3.87Å
71L98.2Very high94.7Very high47 Ų4777.4 Ų77.425%0.24638%0.376CS..EExtended strand (participates in β ladder)trans-122.2143.1170.4-54.9102000110L10 I18 T19 L20 I68 L73L10-L71 HydrophobicContact CD1-CD2 3.84Å; I18-L71 HydrophobicContact CD1-CD2 3.86Å; T19-L71 CarbonylContact O-C 3.53Å; T19-L71 WeakPolarHBondContact O-CA 3.22Å; L20-L71 HydrophobicContact CB-CD2 4.44Å; L20-L71 HydrophobicContact CD1-CD2 4.05Å; I68-L71 HydrophobicContact CG2-CD1 3.82Å; I68-L71 HydrophobicContact CG2-CG 4.01Å; L71-L73 HydrophobicContact CB-CD2 4.02Å
72I98.3Very high93.8Very high94 Ų9477.5 Ų77.548%0.48238%0.376SS..EExtended strand (participates in β ladder)trans-105.8117.7167-54.3173.9000106.4I18 T19 F70I18-I72 WeakPolarHBondContact CA-O 3.49Å; T19-I72 HydrophobicContact CG2-CD1 4.44Å; T19-I72 PolarHBondContact N-O 3.44Å; T19-I72 PolarHBondContact O-N 2.89Å; F70-I72 HydrophobicContact CD2-CG1 4.11Å; F70-I72 HydrophobicContact CE2-CD1 4.02Å; F70-I72 HydrophobicContact CE2-CG1 3.87Å
73L97.3Very high92.9Very high45 Ų4575.2 Ų75.224%0.23637%0.368CS..  trans-101.6161.6-178.9-50.7-178.1000110.6V9 L10 A13 I18 L71 L77V9-L73 HydrophobicContact CG1-CD1 3.87Å; L10-L73 HydrophobicContact CD1-CD2 4.17Å; A13-L73 HydrophobicContact CB-CD1 4.29Å; A13-L73 HydrophobicContact CB-CD2 3.83Å; A13-L73 HydrophobicContact CB-CG 4.45Å; I18-L73 HydrophobicContact CB-CD2 4.49Å; I18-L73 HydrophobicContact CG2-CD2 3.87Å; L71-L73 HydrophobicContact CB-CD2 4.02Å; L73-L77 HydrophobicContact CB-CD1 3.9Å; L73-L77 HydrophobicContact CD1-CD1 4.05Å
74P96.7Very high91.7Very high28 Ų2881.2 Ų81.218%0.18239%0.394CS..  trans-58.3138.7176.1-20.928.7000112.9H16 M76 L77H16-P74 HydrophobicContact CB-CG 3.47Å; H16-P74 VanDerWaalsContact CB-CG 3.47Å; P74-M76 PolarHBondContact O-N 3.06Å; P74-L77 WeakPolarHBondContact O-CB 3.36Å; P74-L77 PolarHBondContact O-N 2.9Å
75D94.3Very high90.1Very high124 Ų12479.1 Ų79.166%0.66340%0.395SS*.G310 helixtrans-56.4-23.2178.8-751.6000113.9L77 K78D75-L77 PolarHBondContact O-N 3Å; D75-K78 WeakPolarHBondContact O-CB 3.01Å; D75-K78 WeakPolarHBondContact O-CD 3.26Å; D75-K78 WeakPolarHBondContact O-CG 3.32Å; D75-K78 PolarHBondContact O-N 3.47Å; D75-K78 VanDerWaalsContact O-N 3.15Å
76M92.4Very high88.5Confident143 Ų14383.7 Ų83.770%0.70442%0.418SS*.G310 helixtrans-59.2-29.5176.8-63-56.6-67.500112.4P74 K78 N79P74-M76 PolarHBondContact O-N 3.06Å; M76-K78 PolarHBondContact O-N 2.84Å; M76-N79 PolarHBondContact O-N 3.19Å
77L91.7Very high86.6Confident21 Ų2187.1 Ų87.111%0.1143%0.426CS..G310 helixtrans-72.6-11.6-179.9-61-178.3000113.5V9 E12 A13 L73 P74 D75 N79 A80 F83V9-L77 HydrophobicContact CG1-CB 4.46Å; V9-L77 HydrophobicContact CG1-CD1 4.32Å; E12-L77 HydrophobicContact CB-CD2 3.92Å; A13-L77 HydrophobicContact CB-CD1 3.6Å; L73-L77 HydrophobicContact CB-CD1 3.9Å; L73-L77 HydrophobicContact CD1-CD1 4.05Å; P74-L77 WeakPolarHBondContact O-CB 3.36Å; P74-L77 PolarHBondContact O-N 2.9Å; D75-L77 PolarHBondContact O-N 3Å; L77-N79 PolarHBondContact O-N 2.8Å; L77-N79 VanDerWaalsContact O-N 3.09Å; L77-A80 WeakPolarHBondContact O-CB 3.26Å; L77-A80 PolarHBondContact O-N 2.85Å; L77-F83 VanDerWaalsContact O-CE2 3.27Å; L77-F83 WeakPolarHBondContact O-CE2 3.26Å
78K88.7Confident84.7Confident140 Ų14089.1 Ų89.161%0.60943%0.434SS*.G310 helixtrans-58.9-24.6174.876.7-165.2169.2-173.30113.2D75 M76D75-K78 WeakPolarHBondContact O-CB 3.01Å; D75-K78 WeakPolarHBondContact O-CD 3.26Å; D75-K78 WeakPolarHBondContact O-CG 3.32Å; D75-K78 PolarHBondContact O-N 3.47Å; D75-K78 VanDerWaalsContact O-N 3.15Å; M76-K78 PolarHBondContact O-N 2.84Å
79N84.9Confident82.7Confident113 Ų11390.5 Ų90.560%0.60445%0.454SS*.G310 helixtrans-93.82.1179.3-62.2-40.6000112.9M76 L77M76-N79 PolarHBondContact O-N 3.19Å; L77-N79 PolarHBondContact O-N 2.8Å; L77-N79 VanDerWaalsContact O-N 3.09Å
80A83.5Confident80.8Confident11 Ų1187.5 Ų87.59%0.09146%0.459CS..  trans-55.9137.7-178.900000110.3L77 M82 F83L77-A80 WeakPolarHBondContact O-CB 3.26Å; L77-A80 PolarHBondContact O-N 2.85Å; A80-M82 PolarHBondContact O-N 3.4Å; A80-F83 HydrophobicContact CB-CD2 4.05Å; A80-F83 HydrophobicContact CB-CE2 4.21Å; A80-F83 PolarHBondContact O-N 2.86Å; A80-F83 VanDerWaalsContact O-N 3.13Å
81P80.7Confident78.8Confident84 Ų8491.6 Ų91.655%0.54548%0.48SS..G310 helixtrans-59.4-21.5-173.223.9-34.2000113F83 K84P81-F83 VanDerWaalsContact C-N 3.29Å; P81-F83 PolarHBondContact O-N 3.25Å; P81-K84 WeakPolarHBondContact O-CB 3.24Å; P81-K84 PolarHBondContact O-N 2.9Å
82M80.5Confident76.8Confident32 Ų3299.5 Ų99.516%0.15851%0.507CS..G310 helixtrans-65.8-29-178-49.9174.2-163.600113.1V5 K8 V9 E12 A80 K84V5-M82 HydrophobicContact CG1-CB 3.85Å; K8-M82 VanDerWaalsContact C-SD 3.58Å; K8-M82 HydrophobicContact CB-CE 3.81Å; K8-M82 HydrophobicContact CB-SD 3.25Å; K8-M82 WeakPolarHBondContact CB-SD 3.27Å; K8-M82 HydrophobicContact CD-SD 4.37Å; K8-M82 HydrophobicContact CG-SD 4.45Å; V9-M82 HydrophobicContact CB-SD 4.48Å; V9-M82 HydrophobicContact CG2-CB 4.22Å; V9-M82 HydrophobicContact CG2-SD 3.63Å; E12-M82 HydrophobicContact CG-CE 3.27Å; E12-M82 WeakPolarHBondContact OE1-CE 3.32Å; A80-M82 PolarHBondContact O-N 3.4Å; M82-K84 VanDerWaalsContact C-N 3.31Å; M82-K84 PolarHBondContact O-N 2.59Å
83F78.1Confident75Confident78 Ų78100.7 Ų100.734%0.34252%0.518SS..G310 helixtrans-74.8-19.7177.6-67.2-65.2000113.3V9 L77 A80 P81 N85 I86V9-F83 HydrophobicContact CB-CZ 4.38Å; V9-F83 HydrophobicContact CG1-CE2 4.07Å; V9-F83 HydrophobicContact CG1-CZ 3.95Å; V9-F83 HydrophobicContact CG2-CE1 4.35Å; V9-F83 HydrophobicContact CG2-CE2 3.82Å; V9-F83 HydrophobicContact CG2-CZ 3.68Å; L77-F83 VanDerWaalsContact O-CE2 3.27Å; L77-F83 WeakPolarHBondContact O-CE2 3.26Å; A80-F83 HydrophobicContact CB-CD2 4.05Å; A80-F83 HydrophobicContact CB-CE2 4.21Å; A80-F83 PolarHBondContact O-N 2.86Å; A80-F83 VanDerWaalsContact O-N 3.13Å; P81-F83 VanDerWaalsContact C-N 3.29Å; P81-F83 PolarHBondContact O-N 3.25Å; F83-N85 PolarHBondContact O-N 3.44Å; F83-I86 HydrophobicContact CD1-CD1 4.16Å; F83-I86 PolarHBondContact O-N 3.05Å
84K73.6Confident73.1Confident138 Ų138104 Ų10460%0.654%0.542SS*.Hα-helixtrans-65.5-26.4-177.9-62.8-178179.5177.90113.1P81 M82P81-K84 WeakPolarHBondContact O-CB 3.24Å; P81-K84 PolarHBondContact O-N 2.9Å; M82-K84 VanDerWaalsContact C-N 3.31Å; M82-K84 PolarHBondContact O-N 2.59Å
85N64.1Low71.4Confident119 Ų119106.9 Ų106.964%0.63657%0.568SS**Hα-helixtrans-88.3-20.4-176.5-68.1-15.5000113.4F83F83-N85 PolarHBondContact O-N 3.44Å
86I64.3Low70Confident98 Ų98106.3 Ų106.350%0.50357%0.571SS.*Hα-helixtrans-69.6-38.7178.1-63.4173.3000110.1V5 F83 K88 G89V5-I86 HydrophobicContact CB-CD1 4.46Å; V5-I86 HydrophobicContact CG1-CD1 3.88Å; F83-I86 HydrophobicContact CD1-CD1 4.16Å; F83-I86 PolarHBondContact O-N 3.05Å; I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 3.04Å; I86-G89 PolarHBondContact O-N 2.91Å
87Q58.5Low68.4Low150 Ų150105.5 Ų105.570%0.70158%0.576SS**Hα-helixtrans-67.3-30.7-179.1-65.1-177.9-2.200113.2G89Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 2.92Å
88K59.2Low66.7Low155 Ų155116.2 Ų116.267%0.67462%0.615SS**Hα-helixtrans-74-20.9178.8-67.2-174.5178.3-179.20113.4I86I86-K88 VanDerWaalsContact C-N 3.32Å; I86-K88 PolarHBondContact O-N 3.04Å
89G56.8Low64.8Low52 Ų52112.6 Ų112.654%0.53662%0.618SS.*Hα-helixtrans-76-3117700000113.7I86 Q87 Q91 R92I86-G89 PolarHBondContact O-N 2.91Å; Q87-G89 VanDerWaalsContact C-N 3.31Å; Q87-G89 PolarHBondContact O-N 2.92Å; G89-Q91 VanDerWaalsContact C-N 3.33Å; G89-Q91 PolarHBondContact O-N 3.1Å; G89-R92 PolarHBondContact O-N 2.79Å
90A58.2Low62.9Low78 Ų78117.7 Ų117.765%0.64564%0.635SS**Hα-helixtrans-73.6-21.9-178.300000113.7R92A90-R92 VanDerWaalsContact C-N 3.35Å
91Q55.8Low61.1Low174 Ų174121.9 Ų121.981%0.81367%0.67SS**THydrogen-bonded Turntrans-87.41.3179.2-76.8-178.7-4.700114.2G89 V93G89-Q91 VanDerWaalsContact C-N 3.33Å; G89-Q91 PolarHBondContact O-N 3.1Å; Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.04Å
92R54.8Low59.4Low213 Ų213122.6 Ų122.680%0.80468%0.683SS**THydrogen-bonded Turntrans-90.315.3-178.1-82.5-174.5158.2-174.4-4.8114.8G89 A90 P94G89-R92 PolarHBondContact O-N 2.79Å; A90-R92 VanDerWaalsContact C-N 3.35Å; R92-P94 WeakPolarHBondContact O-CD 3.17Å
93V60.9Low57.9Low119 Ų119125.7 Ų125.772%0.72171%0.713SS**SBendtrans-70.2110.9162-158.80000106.2Q91 A95Q91-V93 VanDerWaalsContact C-N 3.34Å; Q91-V93 PolarHBondContact O-N 3.04Å; V93-A95 PolarHBondContact O-N 3.47Å
94P56.9Low56.4Low114 Ų114130.1 Ų130.174%0.7473%0.733SS**PPolyproline II helixtrans-63.6117.1176.6-9.425.7000105.9R92R92-P94 WeakPolarHBondContact O-CD 3.17Å
95A62.9Low55.3Low88 Ų88133.8 Ų133.873%0.72775%0.749SS**PPolyproline II helixtrans-52.3132.7167.400000107.4V93V93-A95 PolarHBondContact O-N 3.47Å
96P64.3Low54.4Low112 Ų112137.5 Ų137.573%0.72775%0.754SS**PPolyproline II helixtrans-55.7142.3178.823.2-31.7000108.3R98P96-R98 PolarHBondContact O-N 3.48Å
97P58.3Low53.5Low126 Ų126138.2 Ų138.282%0.81877%0.767SS**  trans-58.8105.1-174.624.3-32.1000108.1G99P97-G99 PolarHBondContact O-N 2.77Å
98R56.4Low52.8Low246 Ų246143 Ų14393%0.92878%0.779SS**  trans-62.4108.5177.1-132.3174.3-178.5165.2-0.5105.9P96 K100P96-R98 PolarHBondContact O-N 3.48Å; R98-K100 PolarHBondContact O-N 2.99Å
99G48.2Very low51.9Low65 Ų65138.9 Ų138.967%0.6778%0.781SS**  trans-48.8136.8-171.300000112.1P97 A101P97-G99 PolarHBondContact O-N 2.77Å; G99-A101 PolarHBondContact O-N 3.47Å
100K45.5Very low51.2Low219 Ų219147.6 Ų147.695%0.95280%0.798SS**  trans-64.873.1165.3-71.5178.7174.71760109.2R98R98-K100 PolarHBondContact O-N 2.99Å
101A46.1Very low50.2Low99 Ų99149.8 Ų149.882%0.81880%0.803SS**  trans-99.371.917000000108.7G99G99-A101 PolarHBondContact O-N 3.47Å
102A45.1Very low49.7Very low100 Ų100147.7 Ų147.783%0.82680%0.802SS**  trans-158.760.5170.800000111.5
103A48.9Very low49Very low96 Ų96147.4 Ų147.479%0.79381%0.807SS**  trans-150.244.6163.500000112K105A103-K105 PolarHBondContact O-N 3.37Å
104F45.8Very low48Very low172 Ų172145.2 Ų145.275%0.75481%0.809SS**  trans-91.574.9163.6-132.6-90.4000108.3R106F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 HydrophobicContact CD1-CG 4.15Å; F104-R106 HydrophobicContact CE1-CG 4.24Å; F104-R106 PolarHBondContact O-N 2.94Å
105K51.2Low47.3Very low214 Ų214143.4 Ų143.493%0.9381%0.81SS**  trans-74.984.6169.3-85-170179.1-178.70108.7A103A103-K105 PolarHBondContact O-N 3.37Å
106R43.9Very low46.3Very low198 Ų198151.3 Ų151.375%0.74782%0.821SS**  trans-83.2145.1155.1-92.6178.8172.1150.3-2.5108.6F104F104-R106 VanDerWaalsContact C-N 3.27Å; F104-R106 HydrophobicContact CD1-CG 4.15Å; F104-R106 HydrophobicContact CE1-CG 4.24Å; F104-R106 PolarHBondContact O-N 2.94Å
107S46.1Very low45.3Very low113 Ų113148.8 Ų148.879%0.7982%0.816SS**  trans65.5103.7161.763.70000117.9
108R42.8Very low44.8Very low249 Ų249151.7 Ų151.794%0.9482%0.816SS**  -158.691.7128.7-115.5178-179.6165.91.4110.2
109G40.6Very low44.3Very low70 Ų70150.9 Ų150.972%0.72281%0.813SS**  trans-65.4171.7148.900000110.1
110R42.7Very low44.1Very low235 Ų235151 Ų15189%0.88781%0.813SS**  trans101.484.5-176.1-155.4163.7172.2141.3-4.3111.1
111T36.2Very low44.5Very low124 Ų124145.4 Ų145.476%0.76181%0.808SS**  65.9121.694.6-51.80000110.8
112V45.9Very low44.5Very low129 Ų129148 Ų14878%0.78281%0.808SS**  trans167.1110.1134.91590000108.7
113F39.7Very low44.6Very low208 Ų208152.4 Ų152.491%0.91281%0.813SS**  trans74.1133.5137.5-119.9-107.3000122.8
114G40.6Very low44.8Very low73 Ų73156.2 Ų156.275%0.75382%0.815SS**  trans9598.6161.900000112
115G43.2Very low45.2Very low75 Ų75151.4 Ų151.477%0.77381%0.814SS**  cis109130.142.400000107.1
116R41.5Very low45.5Very low255 Ų255156.8 Ų156.896%0.96283%0.828SS**  trans76.4109.9-179.1-116.1159173.8134.3-4.1113.3
117G43.4Very low45.5Very low59 Ų59154.7 Ų154.761%0.60883%0.832SS**  cis115.8129.926.200000107.8
118F46.9Very low45.5Very low186 Ų186156.9 Ų156.982%0.81683%0.834SS**  trans80.8140.5171.3-59.2-93.7000117.5
119R45.5Very low45.6Very low230 Ų230151.8 Ų151.887%0.86883%0.828SS**  cis175.7141.4-23.1-156.6170.9175.3170.6-2.1103.7
120G44.9Very low45.9Very low66 Ų66156.6 Ų156.668%0.6884%0.835SS**  trans114100164.700000112
121A52.6Low46.1Very low103 Ų103151.7 Ų151.785%0.85183%0.831SS**  67.5126.781.500000109.7
122L48.1Very low46.8Very low154 Ų154153.5 Ų153.581%0.80684%0.836SS**  cis-170128.125.3-177.976.5000104.2
123M46.2Very low46.9Very low192 Ų192155.3 Ų155.395%0.94684%0.84SS**  trans-115.1117.7166-161.8-177.7-179.300106.9
124Q52.4Low47.4Very low176 Ų176151.2 Ų151.282%0.82283%0.834SS**  trans-95.6123.3174.4-138.4168.542.700107.5
125G55.6Low48Very low71 Ų71157.8 Ų157.873%0.73284%0.841SS**  trans-80149.5179.700000113.3
126R55.8Low48.4Very low326 Ų326165.3 Ų165.3100%1.2385%0.848SS**  trans-132.80132.8-84.7-168-176.3-178.22.1107.4

Retrieved 126 of 126 residues in 120.4 ms (Link to these results)

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