A0A5K4F6X6_SCHMA Loading...

EF-hand domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F6X6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 75 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
1M43.5Very low57.9Low225 Ų225114.6 Ų114.6100%1.10860%0.597SS**  0129.20-87.1110.598.200107.6
2S51.4Low58.6Low61 Ų61113.4 Ų113.443%0.42758%0.58SS.*  trans-78.6130.7-179.3-154.10000107.8R4 D5S2-R4 PolarHBondContact O-N 2.73Å; S2-D5 WeakPolarHBondContact CB-OD2 3.47Å; S2-D5 PolarHBondContact O-N 3.07Å
3D56.3Low59.5Low131 Ų131111.8 Ų111.870%0.70157%0.574SS**Hα-helixtrans-53.1-19.4177.8-60.7-74.4000113L7D3-L7 PolarHBondContact O-N 2.73Å
4R55.2Low60.3Low198 Ų198109.8 Ų109.875%0.74757%0.565SS**Hα-helixtrans-67-36.2175.1-64.2-178.1176.1168.1-1.2113.9S2 S8S2-R4 PolarHBondContact O-N 2.73Å; R4-S8 WeakPolarHBondContact O-CB 3.46Å; R4-S8 PolarHBondContact O-N 2.92Å; R4-S8 VanDerWaalsContact O-N 3.16Å; R4-S8 PolarHBondContact O-OG 3.13Å
5D56.9Low60.8Low98 Ų98104.3 Ų104.352%0.52454%0.537SS..Hα-helixtrans-70.8-47.9179.6-66.3-69.1000109.8S2 L7 S8 D9S2-D5 WeakPolarHBondContact CB-OD2 3.47Å; S2-D5 PolarHBondContact O-N 3.07Å; D5-L7 VanDerWaalsContact C-N 3.34Å; D5-L7 PolarHBondContact O-N 2.95Å; D5-S8 WeakPolarHBondContact O-CB 3.12Å; D5-S8 PolarHBondContact O-N 3.11Å; D5-S8 VanDerWaalsContact O-N 3.08Å; D5-D9 PolarHBondContact O-N 3.41Å
6T56.9Low61.4Low73 Ų7398.9 Ų98.945%0.44851%0.511SS..Hα-helixtrans-60.6-41.6179.4-44.80000112.5S8 D9 I10T6-S8 VanDerWaalsContact C-N 3.35Å; T6-D9 PolarHBondContact O-N 2.75Å; T6-I10 HydrophobicContact CG2-CD1 4.01Å; T6-I10 WeakPolarHBondContact O-CD1 3.5Å; T6-I10 VanDerWaalsContact O-CG1 3.22Å; T6-I10 WeakPolarHBondContact O-CG1 3.43Å; T6-I10 PolarHBondContact O-N 2.95Å
7L57.7Low62.1Low102 Ų10299.5 Ų99.553%0.53451%0.511SS..Hα-helixtrans-63.5-42.5175.5-93.8154.6000111.4D3 D5 I10 L11D3-L7 PolarHBondContact O-N 2.73Å; D5-L7 VanDerWaalsContact C-N 3.34Å; D5-L7 PolarHBondContact O-N 2.95Å; L7-I10 PolarHBondContact O-N 2.95Å; L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.5Å; L7-L11 PolarHBondContact O-N 3Å
8S62.7Low62.6Low74 Ų7494.3 Ų94.352%0.51749%0.485SS..Hα-helixtrans-64.7-40.5179-57.90000111.5R4 D5 T6 Y12R4-S8 WeakPolarHBondContact O-CB 3.46Å; R4-S8 PolarHBondContact O-N 2.92Å; R4-S8 VanDerWaalsContact O-N 3.16Å; R4-S8 PolarHBondContact O-OG 3.13Å; D5-S8 WeakPolarHBondContact O-CB 3.12Å; D5-S8 PolarHBondContact O-N 3.11Å; D5-S8 VanDerWaalsContact O-N 3.08Å; T6-S8 VanDerWaalsContact C-N 3.35Å; S8-Y12 WeakPolarHBondContact O-CA 3.43Å; S8-Y12 WeakPolarHBondContact O-CB 3.21Å; S8-Y12 PolarHBondContact O-N 3.26Å
9D64.9Low62.9Low108 Ų10889.9 Ų89.958%0.57846%0.462SS*.Hα-helixtrans-65.4-42.3176.5-71.8-45.9000112.2D5 T6 Y12 N13D5-D9 PolarHBondContact O-N 3.41Å; T6-D9 PolarHBondContact O-N 2.75Å; D9-Y12 PolarHBondContact O-N 3.5Å; D9-N13 WeakPolarHBondContact O-CB 3.32Å; D9-N13 PolarHBondContact O-N 3.06Å
10I65.4Low63.3Low104 Ų10492.1 Ų92.153%0.53347%0.468SS..Hα-helixtrans-65.6-50.6177.7-67.5165000110T6 L7 Y12 N13 D14T6-I10 HydrophobicContact CG2-CD1 4.01Å; T6-I10 WeakPolarHBondContact O-CD1 3.5Å; T6-I10 VanDerWaalsContact O-CG1 3.22Å; T6-I10 WeakPolarHBondContact O-CG1 3.43Å; T6-I10 PolarHBondContact O-N 2.95Å; L7-I10 PolarHBondContact O-N 2.95Å; I10-Y12 VanDerWaalsContact C-N 3.3Å; I10-Y12 PolarHBondContact O-N 3.17Å; I10-N13 PolarHBondContact O-N 3.15Å; I10-D14 WeakPolarHBondContact O-CB 3.35Å; I10-D14 PolarHBondContact O-N 3.3Å
11L65.9Low63.7Low87 Ų8793.7 Ų93.746%0.45547%0.472SS..Hα-helixtrans-59.1-43.3176.7-84.9150000111L7 D14 L15L7-L11 HydrophobicContact CD2-CD1 4.42Å; L7-L11 VanDerWaalsContact O-CB 3.3Å; L7-L11 WeakPolarHBondContact O-CB 3.36Å; L7-L11 WeakPolarHBondContact O-CD1 3.5Å; L7-L11 PolarHBondContact O-N 3Å; L11-D14 PolarHBondContact O-N 2.91Å; L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.19Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 2.81Å
12Y66.3Low64.9Low100 Ų10083.6 Ų83.639%0.39242%0.423SS..Hα-helixtrans-60.6-45.2176.7175.8-96.8000111.6S8 D9 I10 S16 F69S8-Y12 WeakPolarHBondContact O-CA 3.43Å; S8-Y12 WeakPolarHBondContact O-CB 3.21Å; S8-Y12 PolarHBondContact O-N 3.26Å; D9-Y12 PolarHBondContact O-N 3.5Å; I10-Y12 VanDerWaalsContact C-N 3.3Å; I10-Y12 PolarHBondContact O-N 3.17Å; Y12-S16 WeakPolarHBondContact O-CB 3.45Å; Y12-S16 PolarHBondContact O-N 2.95Å; Y12-F69 WeakPolarHBondContact CE2-O 3.22Å; Y12-F69 PolarHBondContact OH-O 3.18Å
13N70.3Confident65.8Low93 Ų9381.1 Ų81.150%0.49740%0.404SS..Hα-helixtrans-65.3-45.4178.4-177.976.5000111.5D9 I10 S16 Q17D9-N13 WeakPolarHBondContact O-CB 3.32Å; D9-N13 PolarHBondContact O-N 3.06Å; I10-N13 PolarHBondContact O-N 3.15Å; N13-S16 PolarHBondContact O-N 3.21Å; N13-Q17 WeakPolarHBondContact O-CG 3.48Å; N13-Q17 PolarHBondContact O-N 3Å
14D71Confident66.4Low83 Ų8383.4 Ų83.444%0.44441%0.408SS..Hα-helixtrans-62.2-51.6179.5-137.1-98.7000110.5I10 L11 S16 Q17 A18 L42I10-D14 WeakPolarHBondContact O-CB 3.35Å; I10-D14 PolarHBondContact O-N 3.3Å; L11-D14 PolarHBondContact O-N 2.91Å; D14-S16 VanDerWaalsContact C-N 3.34Å; D14-S16 PolarHBondContact O-N 3.22Å; D14-Q17 PolarHBondContact O-N 2.74Å; D14-A18 PolarHBondContact O-N 3.39Å; D14-L42 HydrophobicContact CB-CD2 3.9Å; D14-L42 VanDerWaalsContact O-CD2 3.28Å; D14-L42 WeakPolarHBondContact O-CD2 3.46Å; D14-L42 WeakPolarHBondContact OD1-CD2 3.02Å
15L68Low67.2Low28 Ų2879.1 Ų79.115%0.14740%0.4CS..Hα-helixtrans-53.8-51.1173.3-79.1158.2000110L11 Q17 A18 F19 L38 L42 I71L11-L15 WeakPolarHBondContact O-CB 3.4Å; L11-L15 WeakPolarHBondContact O-CD1 3.19Å; L11-L15 VanDerWaalsContact O-CG 3.29Å; L11-L15 WeakPolarHBondContact O-CG 3.42Å; L11-L15 PolarHBondContact O-N 2.81Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.04Å; L15-A18 CarbonylContact O-C 3.58Å; L15-A18 PolarHBondContact O-N 3.26Å; L15-F19 HydrophobicContact CB-CD2 4.03Å; L15-F19 HydrophobicContact CB-CE2 4.06Å; L15-F19 HydrophobicContact CD2-CD2 4.46Å; L15-F19 HydrophobicContact CD2-CE2 3.84Å; L15-F19 VanDerWaalsContact O-CB 3.32Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 3.33Å; L15-L38 HydrophobicContact CD2-CD2 4.03Å; L15-L42 HydrophobicContact CD2-CD1 3.19Å; L15-L42 HydrophobicContact CG-CD1 3.79Å; L15-I71 HydrophobicContact CD1-CD1 3.56Å
16S70.2Confident67.7Low18 Ų1881.4 Ų81.413%0.12641%0.408CS..Hα-helixtrans-58.5-40.8-178.7-169.50000112.8Y12 N13 D14 K20Y12-S16 WeakPolarHBondContact O-CB 3.45Å; Y12-S16 PolarHBondContact O-N 2.95Å; N13-S16 PolarHBondContact O-N 3.21Å; D14-S16 VanDerWaalsContact C-N 3.34Å; D14-S16 PolarHBondContact O-N 3.22Å; S16-K20 WeakPolarHBondContact O-CB 3.47Å; S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.39Å
17Q73.4Confident68.2Low109 Ų10981.4 Ų81.451%0.50941%0.405SS..Hα-helixtrans-66.9-45.8176.1-70.4-56.5-76.700111.5N13 D14 L15 F19 K20 F21N13-Q17 WeakPolarHBondContact O-CG 3.48Å; N13-Q17 PolarHBondContact O-N 3Å; D14-Q17 PolarHBondContact O-N 2.74Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.04Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 2.77Å; Q17-K20 PolarHBondContact O-N 2.76Å; Q17-F21 WeakPolarHBondContact O-CB 3.36Å; Q17-F21 PolarHBondContact O-N 2.8Å
18A71.2Confident68.5Low6 Ų677.3 Ų77.35%0.0539%0.387CS..Hα-helixtrans-66.5-36177.700000111.3D14 L15 F21 I22 L38 T41 L42D14-A18 PolarHBondContact O-N 3.39Å; L15-A18 CarbonylContact O-C 3.58Å; L15-A18 PolarHBondContact O-N 3.26Å; A18-F21 WeakPolarHBondContact O-CB 3.34Å; A18-F21 PolarHBondContact O-N 3.06Å; A18-I22 VanDerWaalsContact O-CD1 3.3Å; A18-I22 WeakPolarHBondContact O-CD1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.35Å; A18-I22 PolarHBondContact O-N 3.2Å; A18-L38 HydrophobicContact CB-CD1 3.32Å; A18-L38 HydrophobicContact CB-CG 4.27Å; A18-L38 WeakPolarHBondContact O-CD1 3.17Å; A18-T41 HydrophobicContact CB-CG2 4.1Å; A18-L42 HydrophobicContact CB-CD1 4.23Å; A18-L42 HydrophobicContact CB-CD2 3.46Å; A18-L42 VanDerWaalsContact CB-CD2 3.46Å; A18-L42 HydrophobicContact CB-CG 3.64Å
19F68.2Low68.3Low10 Ų1079.5 Ų79.54%0.04439%0.392CS..Hα-helixtrans-61.3-51.6175.4-90.7-74.5000109.9L15 Q17 F21 I22 D23 L30 L38 I62L15-F19 HydrophobicContact CB-CD2 4.03Å; L15-F19 HydrophobicContact CB-CE2 4.06Å; L15-F19 HydrophobicContact CD2-CD2 4.46Å; L15-F19 HydrophobicContact CD2-CE2 3.84Å; L15-F19 VanDerWaalsContact O-CB 3.32Å; L15-F19 WeakPolarHBondContact O-CB 3.43Å; L15-F19 WeakPolarHBondContact O-CD2 3.32Å; L15-F19 PolarHBondContact O-N 3.33Å; Q17-F19 VanDerWaalsContact C-N 3.32Å; Q17-F19 PolarHBondContact O-N 2.77Å; F19-F21 PolarHBondContact O-N 3.39Å; F19-I22 PolarHBondContact O-N 2.83Å; F19-D23 WeakPolarHBondContact O-CB 3.35Å; F19-D23 PolarHBondContact O-N 3.47Å; F19-L30 HydrophobicContact CD1-CD1 3.16Å; F19-L30 HydrophobicContact CD1-CD2 4.4Å; F19-L30 HydrophobicContact CD1-CG 3.53Å; F19-L30 HydrophobicContact CE1-CB 4.3Å; F19-L30 HydrophobicContact CE1-CD1 3.23Å; F19-L30 HydrophobicContact CE1-CG 3.62Å; F19-L30 HydrophobicContact CG-CD1 4.22Å; F19-L30 HydrophobicContact CZ-CD1 4.31Å; F19-L38 HydrophobicContact CB-CD1 4.24Å; F19-L38 HydrophobicContact CD1-CD1 4.24Å; F19-L38 HydrophobicContact CD1-CD2 4.1Å; F19-L38 HydrophobicContact CD2-CD1 4.02Å; F19-L38 HydrophobicContact CD2-CD2 3.9Å; F19-L38 HydrophobicContact CE1-CD2 3.64Å; F19-L38 HydrophobicContact CE2-CD1 4.36Å; F19-L38 HydrophobicContact CE2-CD2 3.39Å; F19-L38 HydrophobicContact CG-CD1 3.88Å; F19-L38 HydrophobicContact CG-CD2 4.18Å; F19-L38 HydrophobicContact CZ-CD2 3.2Å; F19-I62 HydrophobicContact CE1-CD1 4.38Å; F19-I62 HydrophobicContact CE1-CG2 4.31Å; F19-I62 HydrophobicContact CE2-CD1 4.36Å; F19-I62 HydrophobicContact CE2-CG1 4.34Å; F19-I62 HydrophobicContact CZ-CB 4.43Å; F19-I62 HydrophobicContact CZ-CD1 3.57Å; F19-I62 HydrophobicContact CZ-CG1 3.86Å; F19-I62 HydrophobicContact CZ-CG2 4.12Å
20K71.1Confident68.3Low134 Ų13475.5 Ų75.558%0.58337%0.37SS*.Hα-helixtrans-61.1-29.9176.6-74.7178.2179.4-174.90113.4S16 Q17 I22S16-K20 WeakPolarHBondContact O-CB 3.47Å; S16-K20 WeakPolarHBondContact O-CG 3.38Å; S16-K20 PolarHBondContact O-N 3.39Å; Q17-K20 PolarHBondContact O-N 2.76Å; K20-I22 VanDerWaalsContact C-N 3.26Å
21F72.3Confident68.2Low125 Ų12571.9 Ų71.955%0.54836%0.359SS..Hα-helixtrans-71.3-25.9177.7-171.3-101.7000112.4Q17 A18 F19 Y37Q17-F21 WeakPolarHBondContact O-CB 3.36Å; Q17-F21 PolarHBondContact O-N 2.8Å; A18-F21 WeakPolarHBondContact O-CB 3.34Å; A18-F21 PolarHBondContact O-N 3.06Å; F19-F21 PolarHBondContact O-N 3.39Å; F21-Y37 HydrophobicContact CD1-CE1 4.29Å; F21-Y37 HydrophobicContact CE1-CE1 4.22Å
22I67.5Low68.1Low14 Ų1472.1 Ų72.17%0.07236%0.364CS..Hα-helixtrans-102.4-44.1-172.8-62.3167.8000111.6A18 F19 K20 K24 L30 D34 Y37 L38A18-I22 VanDerWaalsContact O-CD1 3.3Å; A18-I22 WeakPolarHBondContact O-CD1 3.28Å; A18-I22 WeakPolarHBondContact O-CG1 3.35Å; A18-I22 PolarHBondContact O-N 3.2Å; F19-I22 PolarHBondContact O-N 2.83Å; K20-I22 VanDerWaalsContact C-N 3.26Å; I22-K24 PolarHBondContact O-N 3.24Å; I22-L30 HydrophobicContact CB-CD1 4.39Å; I22-L30 HydrophobicContact CB-CD2 4.22Å; I22-L30 HydrophobicContact CG2-CD1 4.2Å; I22-L30 HydrophobicContact CG2-CD2 3.86Å; I22-D34 HydrophobicContact CG2-CB 3.54Å; I22-Y37 HydrophobicContact CD1-CD1 3.57Å; I22-Y37 HydrophobicContact CD1-CE1 4.36Å; I22-Y37 HydrophobicContact CD1-CG 4.5Å; I22-Y37 HydrophobicContact CG1-CD1 3.58Å; I22-Y37 HydrophobicContact CG1-CE1 4.04Å; I22-L38 HydrophobicContact CD1-CB 3.38Å; I22-L38 HydrophobicContact CD1-CD1 3.6Å; I22-L38 HydrophobicContact CD1-CG 4.1Å
23D70.4Confident68.1Low8 Ų873.8 Ų73.84%0.04338%0.38CS..  trans-67.365.5170.8-174.229.1000109.4F19 D25 E26 D27 G28 L30 R64F19-D23 WeakPolarHBondContact O-CB 3.35Å; F19-D23 PolarHBondContact O-N 3.47Å; D23-D25 PolarHBondContact O-N 2.78Å; D23-E26 PolarHBondContact O-N 3.26Å; D23-E26 VanDerWaalsContact O-N 3.13Å; D23-E26 WeakPolarHBondContact OD1-CA 3.34Å; D23-E26 PolarHBondContact OD1-N 3.49Å; D23-E26 WeakPolarHBondContact OD2-CA 3.04Å; D23-D27 PolarHBondContact OD1-N 2.72Å; D23-D27 VanDerWaalsContact OD1-OD1 3.09Å; D23-G28 PolarHBondContact OD1-N 2.92Å; D23-G28 VanDerWaalsContact OD1-N 3.11Å; D23-G28 WeakPolarHBondContact OD2-CA 3.47Å; D23-G28 PolarHBondContact OD2-N 3.33Å; D23-L30 HydrophobicContact CB-CD2 3.8Å; D23-R64 IonicContact OD2-NH1 3.17Å; D23-R64 PolarHBondContact OD2-NH1 3.04Å; D23-R64 VanDerWaalsContact OD2-NH1 3.17Å
24K69.9Low67.9Low179 Ų17972.4 Ų72.478%0.77837%0.372SS*.THydrogen-bonded Turntrans-67.7-26-178.7-74.9-179.2-179.71710111.9I22 E26I22-K24 PolarHBondContact O-N 3.24Å; K24-E26 VanDerWaalsContact C-N 3.3Å
25D71.2Confident67.7Low108 Ų10869.4 Ų69.458%0.57836%0.356SS*.THydrogen-bonded Turntrans-87.1-2.5175.757.1-61000113D23 D27D23-D25 PolarHBondContact O-N 2.78Å; D25-D27 PolarHBondContact O-N 3.48Å; D25-D27 WeakPolarHBondContact OD2-CB 3.46Å
26E67.5Low67.6Low147 Ų14770.4 Ų70.469%0.68737%0.365SS*.  trans49.731.2179.7-60.4-175.289.600112.2D23 K24 R64D23-E26 PolarHBondContact O-N 3.26Å; D23-E26 VanDerWaalsContact O-N 3.13Å; D23-E26 WeakPolarHBondContact OD1-CA 3.34Å; D23-E26 PolarHBondContact OD1-N 3.49Å; D23-E26 WeakPolarHBondContact OD2-CA 3.04Å; K24-E26 VanDerWaalsContact C-N 3.3Å; E26-R64 PolarHBondContact O-NH1 3.41Å; E26-R64 PolarHBondContact O-NH2 3Å
27D67.9Low67.5Low73 Ų7375.7 Ų75.739%0.3938%0.383SS..  trans-83.5-23.4179.984-17.3000111.3D23 D25 I29 R64D23-D27 PolarHBondContact OD1-N 2.72Å; D23-D27 VanDerWaalsContact OD1-OD1 3.09Å; D25-D27 PolarHBondContact O-N 3.48Å; D25-D27 WeakPolarHBondContact OD2-CB 3.46Å; D27-I29 WeakPolarHBondContact OD1-CA 3.32Å; D27-I29 WeakPolarHBondContact OD1-CB 3.44Å; D27-I29 PolarHBondContact OD1-N 3.18Å; D27-I29 WeakPolarHBondContact OD2-CB 3.33Å; D27-R64 VanDerWaalsContact C-NH1 3.25Å
28G62.6Low67.3Low16 Ų1670.6 Ų70.617%0.16536%0.36CS..SBendtrans80.921178.400000115D23D23-G28 PolarHBondContact OD1-N 2.92Å; D23-G28 VanDerWaalsContact OD1-N 3.11Å; D23-G28 WeakPolarHBondContact OD2-CA 3.47Å; D23-G28 PolarHBondContact OD2-N 3.33Å
29I59.6Low67Low120 Ų12071.1 Ų71.162%0.61536%0.362SS*.  trans-122100.5179.6-51.2177.5000106.2D27 G31D27-I29 WeakPolarHBondContact OD1-CA 3.32Å; D27-I29 WeakPolarHBondContact OD1-CB 3.44Å; D27-I29 PolarHBondContact OD1-N 3.18Å; D27-I29 WeakPolarHBondContact OD2-CB 3.33Å; I29-G31 PolarHBondContact O-N 2.92Å
30L65Low67Low23 Ų2375.5 Ų75.512%0.1239%0.389CS..  trans-82.2122.3167.2-66.2-157.8000109.3F19 I22 D23 D34 I35 L38F19-L30 HydrophobicContact CD1-CD1 3.16Å; F19-L30 HydrophobicContact CD1-CD2 4.4Å; F19-L30 HydrophobicContact CD1-CG 3.53Å; F19-L30 HydrophobicContact CE1-CB 4.3Å; F19-L30 HydrophobicContact CE1-CD1 3.23Å; F19-L30 HydrophobicContact CE1-CG 3.62Å; F19-L30 HydrophobicContact CG-CD1 4.22Å; F19-L30 HydrophobicContact CZ-CD1 4.31Å; I22-L30 HydrophobicContact CB-CD1 4.39Å; I22-L30 HydrophobicContact CB-CD2 4.22Å; I22-L30 HydrophobicContact CG2-CD1 4.2Å; I22-L30 HydrophobicContact CG2-CD2 3.86Å; D23-L30 HydrophobicContact CB-CD2 3.8Å; L30-D34 HydrophobicContact CB-CB 3.74Å; L30-D34 HydrophobicContact CD1-CB 4.23Å; L30-D34 HydrophobicContact CD2-CB 3.92Å; L30-D34 HydrophobicContact CG-CB 4.16Å; L30-I35 HydrophobicContact CB-CD1 4.39Å; L30-I35 HydrophobicContact CB-CG1 3.65Å; L30-I35 HydrophobicContact CD1-CG1 4.41Å; L30-L38 HydrophobicContact CD1-CB 4.17Å; L30-L38 HydrophobicContact CD1-CD1 4.25Å; L30-L38 HydrophobicContact CD1-CD2 4.13Å; L30-L38 HydrophobicContact CD1-CG 4.43Å
31G63.4Low66.8Low29 Ų2972.1 Ų72.130%0.29938%0.38SS..  trans-61.3170166.100000111.7I29 D33 D34 I35I29-G31 PolarHBondContact O-N 2.92Å; G31-D33 PolarHBondContact O-N 3.09Å; G31-D34 WeakPolarHBondContact CA-OD2 3.47Å; G31-D34 PolarHBondContact N-OD2 3.2Å; G31-D34 WeakPolarHBondContact O-CB 3.27Å; G31-D34 PolarHBondContact O-N 2.79Å; G31-D34 VanDerWaalsContact O-N 3.15Å; G31-I35 WeakPolarHBondContact O-CG1 3.33Å; G31-I35 PolarHBondContact O-N 2.75Å
32V63.3Low66.4Low92 Ų9267.4 Ų67.456%0.55836%0.36SS*.Hα-helixtrans-60-36.7177.2179.20000111.2S36V32-S36 PolarHBondContact O-N 3.41Å; V32-S36 PolarHBondContact O-OG 3.29Å
33D65.3Low66.2Low135 Ų13569.8 Ų69.872%0.72239%0.388SS*.Hα-helixtrans-65.3-43.4175-61.3-84.2000111.8G31 S36 Y37G31-D33 PolarHBondContact O-N 3.09Å; D33-S36 WeakPolarHBondContact O-CB 3.3Å; D33-S36 PolarHBondContact O-N 2.76Å; D33-Y37 PolarHBondContact O-N 2.75Å
34D67.6Low65.7Low63 Ų6372.9 Ų72.934%0.33740%0.404SS..Hα-helixtrans-66.2-40.5178.5-61.5-60.2000112.2I22 L30 G31 S36 Y37 L38I22-D34 HydrophobicContact CG2-CB 3.54Å; L30-D34 HydrophobicContact CB-CB 3.74Å; L30-D34 HydrophobicContact CD1-CB 4.23Å; L30-D34 HydrophobicContact CD2-CB 3.92Å; L30-D34 HydrophobicContact CG-CB 4.16Å; G31-D34 WeakPolarHBondContact CA-OD2 3.47Å; G31-D34 PolarHBondContact N-OD2 3.2Å; G31-D34 WeakPolarHBondContact O-CB 3.27Å; G31-D34 PolarHBondContact O-N 2.79Å; G31-D34 VanDerWaalsContact O-N 3.15Å; D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.8Å; D34-Y37 CarbonylContact O-C 3.5Å; D34-Y37 PolarHBondContact O-N 3.37Å; D34-L38 WeakPolarHBondContact O-CB 3.29Å; D34-L38 PolarHBondContact O-N 2.94Å
35I65.6Low64.7Low21 Ų2166.7 Ų66.711%0.10839%0.391CS..Hα-helixtrans-64.3-38.3173.5-65.8165.8000110.6L30 G31 Y37 L38 L39 L57L30-I35 HydrophobicContact CB-CD1 4.39Å; L30-I35 HydrophobicContact CB-CG1 3.65Å; L30-I35 HydrophobicContact CD1-CG1 4.41Å; G31-I35 WeakPolarHBondContact O-CG1 3.33Å; G31-I35 PolarHBondContact O-N 2.75Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.89Å; I35-L38 WeakPolarHBondContact O-CB 3.43Å; I35-L38 PolarHBondContact O-N 3.2Å; I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.36Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.49Å; I35-L39 PolarHBondContact O-N 2.94Å; I35-L57 HydrophobicContact CD1-CD1 4.07Å; I35-L57 HydrophobicContact CD1-CD2 4.02Å; I35-L57 HydrophobicContact CD1-CG 4.47Å
36S65.8Low63.7Low49 Ų4965.4 Ų65.434%0.34339%0.389SS..Hα-helixtrans-64-41.5176.4-58.40000110.8V32 D33 D34 T40V32-S36 PolarHBondContact O-N 3.41Å; V32-S36 PolarHBondContact O-OG 3.29Å; D33-S36 WeakPolarHBondContact O-CB 3.3Å; D33-S36 PolarHBondContact O-N 2.76Å; D34-S36 VanDerWaalsContact C-N 3.3Å; D34-S36 PolarHBondContact O-N 2.8Å; S36-T40 WeakPolarHBondContact O-CB 3.34Å; S36-T40 PolarHBondContact O-N 3.45Å; S36-T40 VanDerWaalsContact O-N 3.09Å; S36-T40 PolarHBondContact O-OG1 3.3Å
37Y68.7Low62.4Low128 Ų12864.5 Ų64.550%0.50239%0.39SS..Hα-helixtrans-67.3-35.8174-169.3-88.5000112.2F21 I22 D33 D34 I35 T40 T41F21-Y37 HydrophobicContact CD1-CE1 4.29Å; F21-Y37 HydrophobicContact CE1-CE1 4.22Å; I22-Y37 HydrophobicContact CD1-CD1 3.57Å; I22-Y37 HydrophobicContact CD1-CE1 4.36Å; I22-Y37 HydrophobicContact CD1-CG 4.5Å; I22-Y37 HydrophobicContact CG1-CD1 3.58Å; I22-Y37 HydrophobicContact CG1-CE1 4.04Å; D33-Y37 PolarHBondContact O-N 2.75Å; D34-Y37 CarbonylContact O-C 3.5Å; D34-Y37 PolarHBondContact O-N 3.37Å; I35-Y37 VanDerWaalsContact C-N 3.31Å; I35-Y37 PolarHBondContact O-N 2.89Å; Y37-T40 WeakPolarHBondContact O-CB 3.31Å; Y37-T40 PolarHBondContact O-N 3.45Å; Y37-T41 WeakPolarHBondContact CD1-OG1 3.34Å; Y37-T41 VanDerWaalsContact CE1-OG1 3.32Å; Y37-T41 WeakPolarHBondContact CE1-OG1 3.36Å; Y37-T41 WeakPolarHBondContact O-CB 3.36Å; Y37-T41 PolarHBondContact O-N 3.05Å; Y37-T41 PolarHBondContact O-OG1 2.72Å
38L68.9Low61.4Low3 Ų369.6 Ų69.62%0.01641%0.411CS..Hα-helixtrans-60.8-53.5175.2-178.484000111.4L15 A18 F19 I22 L30 D34 I35 T40 T41 L42L15-L38 HydrophobicContact CD2-CD2 4.03Å; A18-L38 HydrophobicContact CB-CD1 3.32Å; A18-L38 HydrophobicContact CB-CG 4.27Å; A18-L38 WeakPolarHBondContact O-CD1 3.17Å; F19-L38 HydrophobicContact CB-CD1 4.24Å; F19-L38 HydrophobicContact CD1-CD1 4.24Å; F19-L38 HydrophobicContact CD1-CD2 4.1Å; F19-L38 HydrophobicContact CD2-CD1 4.02Å; F19-L38 HydrophobicContact CD2-CD2 3.9Å; F19-L38 HydrophobicContact CE1-CD2 3.64Å; F19-L38 HydrophobicContact CE2-CD1 4.36Å; F19-L38 HydrophobicContact CE2-CD2 3.39Å; F19-L38 HydrophobicContact CG-CD1 3.88Å; F19-L38 HydrophobicContact CG-CD2 4.18Å; F19-L38 HydrophobicContact CZ-CD2 3.2Å; I22-L38 HydrophobicContact CD1-CB 3.38Å; I22-L38 HydrophobicContact CD1-CD1 3.6Å; I22-L38 HydrophobicContact CD1-CG 4.1Å; L30-L38 HydrophobicContact CD1-CB 4.17Å; L30-L38 HydrophobicContact CD1-CD1 4.25Å; L30-L38 HydrophobicContact CD1-CD2 4.13Å; L30-L38 HydrophobicContact CD1-CG 4.43Å; D34-L38 WeakPolarHBondContact O-CB 3.29Å; D34-L38 PolarHBondContact O-N 2.94Å; I35-L38 WeakPolarHBondContact O-CB 3.43Å; I35-L38 PolarHBondContact O-N 3.2Å; L38-T40 PolarHBondContact O-N 3.38Å; L38-T41 WeakPolarHBondContact O-CB 3.37Å; L38-T41 PolarHBondContact O-N 3.02Å; L38-L42 HydrophobicContact CD1-CD1 4.32Å; L38-L42 HydrophobicContact CD2-CD1 4.31Å; L38-L42 HydrophobicContact CG-CD1 3.83Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.8Å
39L64.5Low60.6Low17 Ų1776.6 Ų76.69%0.08945%0.445CS..Hα-helixtrans-60.1-39.1178.9-67.7169.9000111I35 L42 G43 I44 V53 L56I35-L39 HydrophobicContact CG2-CD1 4.01Å; I35-L39 HydrophobicContact CG2-CG 4.36Å; I35-L39 VanDerWaalsContact O-CG 3.28Å; I35-L39 WeakPolarHBondContact O-CG 3.49Å; I35-L39 PolarHBondContact O-N 2.94Å; L39-L42 PolarHBondContact O-N 2.84Å; L39-G43 PolarHBondContact O-N 2.89Å; L39-I44 CarbonylContact C-O 3.48Å; L39-I44 HydrophobicContact CD2-CB 4.23Å; L39-I44 HydrophobicContact CD2-CD1 4.05Å; L39-I44 HydrophobicContact CD2-CG2 4.25Å; L39-I44 CarbonylContact O-C 3.57Å; L39-I44 WeakPolarHBondContact O-CA 3.1Å; L39-I44 PolarHBondContact O-N 3.49Å; L39-V53 HydrophobicContact CD1-CG1 3.59Å; L39-L56 HydrophobicContact CD1-CD1 4.36Å; L39-L56 HydrophobicContact CD2-CD1 4.08Å
40T69.3Low60Low101 Ų10174.6 Ų74.662%0.6244%0.441SS*.Hα-helixtrans-63.1-43.8173.4-55.20000111.8S36 Y37 L38 L42 G43S36-T40 WeakPolarHBondContact O-CB 3.34Å; S36-T40 PolarHBondContact O-N 3.45Å; S36-T40 VanDerWaalsContact O-N 3.09Å; S36-T40 PolarHBondContact O-OG1 3.3Å; Y37-T40 WeakPolarHBondContact O-CB 3.31Å; Y37-T40 PolarHBondContact O-N 3.45Å; L38-T40 PolarHBondContact O-N 3.38Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 2.91Å; T40-G43 PolarHBondContact O-N 3.41Å; T40-G43 VanDerWaalsContact O-N 3.13Å
41T66.7Low59.2Low63 Ų6378.6 Ų78.639%0.38746%0.461SS..Hα-helixtrans-66.2-36.9-179.7-60.40000111.9A18 Y37 L38 G43A18-T41 HydrophobicContact CB-CG2 4.1Å; Y37-T41 WeakPolarHBondContact CD1-OG1 3.34Å; Y37-T41 VanDerWaalsContact CE1-OG1 3.32Å; Y37-T41 WeakPolarHBondContact CE1-OG1 3.36Å; Y37-T41 WeakPolarHBondContact O-CB 3.36Å; Y37-T41 PolarHBondContact O-N 3.05Å; Y37-T41 PolarHBondContact O-OG1 2.72Å; L38-T41 WeakPolarHBondContact O-CB 3.37Å; L38-T41 PolarHBondContact O-N 3.02Å; T41-G43 PolarHBondContact O-N 3.22Å
42L64.3Low58.6Low27 Ų2779.9 Ų79.914%0.14147%0.466CS..THydrogen-bonded Turntrans-74.2-3.2175.9-67.3168.2000113.3D14 L15 A18 L38 L39 T40 I44D14-L42 HydrophobicContact CB-CD2 3.9Å; D14-L42 VanDerWaalsContact O-CD2 3.28Å; D14-L42 WeakPolarHBondContact O-CD2 3.46Å; D14-L42 WeakPolarHBondContact OD1-CD2 3.02Å; L15-L42 HydrophobicContact CD2-CD1 3.19Å; L15-L42 HydrophobicContact CG-CD1 3.79Å; A18-L42 HydrophobicContact CB-CD1 4.23Å; A18-L42 HydrophobicContact CB-CD2 3.46Å; A18-L42 VanDerWaalsContact CB-CD2 3.46Å; A18-L42 HydrophobicContact CB-CG 3.64Å; L38-L42 HydrophobicContact CD1-CD1 4.32Å; L38-L42 HydrophobicContact CD2-CD1 4.31Å; L38-L42 HydrophobicContact CG-CD1 3.83Å; L38-L42 WeakPolarHBondContact O-CB 3.26Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.8Å; L39-L42 PolarHBondContact O-N 2.84Å; T40-L42 VanDerWaalsContact C-N 3.35Å; T40-L42 PolarHBondContact O-N 2.91Å; L42-I44 HydrophobicContact CB-CD1 4.11Å; L42-I44 HydrophobicContact CB-CG1 3.97Å; L42-I44 HydrophobicContact CD1-CD1 4.23Å; L42-I44 PolarHBondContact O-N 2.89Å
43G63.2Low57.9Low64 Ų6477 Ų7766%0.6645%0.449SS*.THydrogen-bonded Turntrans66.713.2-173.700000113.3L39 T40 T41 G45L39-G43 PolarHBondContact O-N 2.89Å; T40-G43 PolarHBondContact O-N 3.41Å; T40-G43 VanDerWaalsContact O-N 3.13Å; T41-G43 PolarHBondContact O-N 3.22Å; G43-G45 PolarHBondContact O-N 3.28Å
44I59.9Low57.1Low73 Ų7380.9 Ų80.937%0.37445%0.453SS..  trans-76.973.5166.6-53.4174.1000105.7L39 L42 C46L39-I44 CarbonylContact C-O 3.48Å; L39-I44 HydrophobicContact CD2-CB 4.23Å; L39-I44 HydrophobicContact CD2-CD1 4.05Å; L39-I44 HydrophobicContact CD2-CG2 4.25Å; L39-I44 CarbonylContact O-C 3.57Å; L39-I44 WeakPolarHBondContact O-CA 3.1Å; L39-I44 PolarHBondContact O-N 3.49Å; L42-I44 HydrophobicContact CB-CD1 4.11Å; L42-I44 HydrophobicContact CB-CG1 3.97Å; L42-I44 HydrophobicContact CD1-CD1 4.23Å; L42-I44 PolarHBondContact O-N 2.89Å; I44-C46 PolarHBondContact O-N 2.98Å
45G48.9Very low56.4Low49 Ų4982.8 Ų82.851%0.50546%0.46SS..  trans-57.8110.8177.100000108.7G43 N47G43-G45 PolarHBondContact O-N 3.28Å; G45-N47 PolarHBondContact O-N 3.48Å
46C49.2Very low55.7Low80 Ų8084.2 Ų84.254%0.54147%0.468SS..  trans-68.855.6161.4-172.30000108.7I44 E48I44-C46 PolarHBondContact O-N 2.98Å; C46-E48 PolarHBondContact O-N 3.33Å
47N40.8Very low55Low129 Ų12985.3 Ų85.369%0.6947%0.469SS*.  trans-74.4110.3167.5-85.7-9.4000105.8G45 D49G45-N47 PolarHBondContact O-N 3.48Å; N47-D49 PolarHBondContact O-N 2.86Å
48E46.4Very low54.2Low179 Ų17981 Ų8184%0.83646%0.463SS*.SBendtrans19.2-19.3158.8-67.9172.878.400122C46 S50C46-E48 PolarHBondContact O-N 3.33Å; E48-S50 PolarHBondContact O-N 3.5Å; E48-S50 PolarHBondContact O-OG 2.95Å
49D46.8Very low53.3Low164 Ų16484.7 Ų84.788%0.87748%0.482SS*.SBendtrans-83.522164.9-64.1-66.6000113.3N47N47-D49 PolarHBondContact O-N 2.86Å
50S45.8Very low52.8Low77 Ų7788.1 Ų88.154%0.53850%0.495SS..  trans6166.5138.8-62.30000118.4E48 Q55E48-S50 PolarHBondContact O-N 3.5Å; E48-S50 PolarHBondContact O-OG 2.95Å; S50-Q55 PolarHBondContact O-OE1 3.18Å
51I48.8Very low52Low107 Ų10788 Ų8855%0.54949%0.49SS..  trans-91.198.9144-57.9174.7000106.5V53 L56I51-V53 PolarHBondContact O-N 3.38Å; I51-L56 HydrophobicContact CG2-CB 4.47Å; I51-L56 HydrophobicContact CG2-CD1 3.71Å; I51-L56 HydrophobicContact CG2-CG 3.67Å
52S49.9Very low51.6Low57 Ų5787.5 Ų87.540%0.39948%0.484SS..  trans-60.4138.1175-70.90000109.4R54 Q55 L56S52-R54 PolarHBondContact O-N 3.26Å; S52-Q55 WeakPolarHBondContact O-CA 3.28Å; S52-Q55 VanDerWaalsContact O-CB 3.31Å; S52-Q55 WeakPolarHBondContact O-CB 3.25Å; S52-Q55 PolarHBondContact O-N 3.13Å; S52-L56 PolarHBondContact O-N 3.2Å
53V50.6Low51.1Low32 Ų3288.5 Ų88.519%0.19449%0.491CS..Hα-helixtrans-52.4-29.4171.2-60.90000112.2L39 I51 L56 L57L39-V53 HydrophobicContact CD1-CG1 3.59Å; I51-V53 PolarHBondContact O-N 3.38Å; V53-L56 PolarHBondContact O-N 2.74Å; V53-L57 WeakPolarHBondContact O-CB 3.22Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.05Å
54R47.5Very low50.7Low216 Ų21690.6 Ų90.682%0.81548%0.48SS*.Hα-helixtrans-66.8-32.8171.6-60.6-176.498.2-148.67.7113.4S52 G58S52-R54 PolarHBondContact O-N 3.26Å; R54-G58 PolarHBondContact O-N 2.77Å
55Q52.2Low50.3Low102 Ų10289.2 Ų89.248%0.47747%0.474SS..Hα-helixtrans-75.3-41.3174.5-71.4169.7-5500110.8S50 S52 G58 I59S50-Q55 PolarHBondContact O-OE1 3.18Å; S52-Q55 WeakPolarHBondContact O-CA 3.28Å; S52-Q55 VanDerWaalsContact O-CB 3.31Å; S52-Q55 WeakPolarHBondContact O-CB 3.25Å; S52-Q55 PolarHBondContact O-N 3.13Å; Q55-G58 PolarHBondContact O-N 3.22Å; Q55-I59 WeakPolarHBondContact O-CD1 3.23Å; Q55-I59 WeakPolarHBondContact O-CG1 3.48Å; Q55-I59 PolarHBondContact O-N 3.38Å
56L51.9Low50.2Low51 Ų5193 Ų9327%0.26749%0.49SS..Hα-helixtrans-63-45.4173.9-99.1161.7000111.6L39 I51 S52 V53 G58 I59 Y60L39-L56 HydrophobicContact CD1-CD1 4.36Å; L39-L56 HydrophobicContact CD2-CD1 4.08Å; I51-L56 HydrophobicContact CG2-CB 4.47Å; I51-L56 HydrophobicContact CG2-CD1 3.71Å; I51-L56 HydrophobicContact CG2-CG 3.67Å; S52-L56 PolarHBondContact O-N 3.2Å; V53-L56 PolarHBondContact O-N 2.74Å; L56-G58 VanDerWaalsContact C-N 3.27Å; L56-G58 PolarHBondContact O-N 3.03Å; L56-I59 PolarHBondContact O-N 2.91Å; L56-Y60 HydrophobicContact CD2-CD2 3.79Å; L56-Y60 HydrophobicContact CD2-CE2 4.1Å; L56-Y60 WeakPolarHBondContact O-CA 3.3Å; L56-Y60 WeakPolarHBondContact O-CB 3.48Å; L56-Y60 PolarHBondContact O-N 3.46Å
57L51.4Low50.5Low72 Ų7299.7 Ų99.738%0.37751%0.505SS..Hα-helixtrans-66.8-28.4173.4-74169.8000113.2I35 V53 I59I35-L57 HydrophobicContact CD1-CD1 4.07Å; I35-L57 HydrophobicContact CD1-CD2 4.02Å; I35-L57 HydrophobicContact CD1-CG 4.47Å; V53-L57 WeakPolarHBondContact O-CB 3.22Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.05Å; L57-I59 VanDerWaalsContact C-N 3.3Å
58G51.8Low51.3Low37 Ų3794.8 Ų94.838%0.38149%0.486SS..Hα-helixtrans-72.8-22.3175.300000113.7R54 Q55 L56 N74R54-G58 PolarHBondContact O-N 2.77Å; Q55-G58 PolarHBondContact O-N 3.22Å; L56-G58 VanDerWaalsContact C-N 3.27Å; L56-G58 PolarHBondContact O-N 3.03Å; G58-N74 VanDerWaalsContact O-CB 3.25Å; G58-N74 WeakPolarHBondContact O-CB 3.45Å; G58-N74 PolarHBondContact O-ND2 2.93Å
59I49.8Very low51.8Low81 Ų8187.7 Ų87.742%0.41545%0.452SS..Hα-helixtrans-106.3-23179.9-58.7162000110.9Q55 L56 L57 L73 N74Q55-I59 WeakPolarHBondContact O-CD1 3.23Å; Q55-I59 WeakPolarHBondContact O-CG1 3.48Å; Q55-I59 PolarHBondContact O-N 3.38Å; L56-I59 PolarHBondContact O-N 2.91Å; L57-I59 VanDerWaalsContact C-N 3.3Å; I59-L73 HydrophobicContact CG2-CD2 3.96Å; I59-L73 CarbonylContact O-C 3.42Å; I59-L73 VanDerWaalsContact O-CA 3.23Å; I59-L73 WeakPolarHBondContact O-CA 3.04Å; I59-N74 PolarHBondContact O-N 3.34Å
60Y53.7Low52Low89 Ų8985 Ų8535%0.34943%0.434SS..EExtended strand (participates in β ladder)trans-137.1113.6-176-60.7-85000111.5L56 I71 L72 L73L56-Y60 HydrophobicContact CD2-CD2 3.79Å; L56-Y60 HydrophobicContact CD2-CE2 4.1Å; L56-Y60 WeakPolarHBondContact O-CA 3.3Å; L56-Y60 WeakPolarHBondContact O-CB 3.48Å; L56-Y60 PolarHBondContact O-N 3.46Å; Y60-I71 HydrophobicContact CD1-CG2 3.53Å; Y60-I71 HydrophobicContact CE1-CG2 4.48Å; Y60-I71 HydrophobicContact CG-CG2 4.01Å; Y60-L72 CarbonylContact C-O 3.58Å; Y60-L72 VanDerWaalsContact CA-O 3.27Å; Y60-L72 WeakPolarHBondContact CA-O 3.44Å; Y60-L73 HydrophobicContact CD1-CD2 3.6Å; Y60-L73 HydrophobicContact CD1-CG 3.9Å; Y60-L73 HydrophobicContact CE1-CD1 4.46Å; Y60-L73 HydrophobicContact CE1-CD2 3.03Å; Y60-L73 HydrophobicContact CE1-CG 3.56Å; Y60-L73 HydrophobicContact CE2-CD2 4.3Å; Y60-L73 HydrophobicContact CG-CD2 4.47Å; Y60-L73 VanDerWaalsContact CZ-CD2 3.42Å
61L53.6Low52.5Low99 Ų9984 Ų8452%0.51842%0.422SS..EExtended strand (participates in β ladder)trans-90.5111.4169.8-176.373.3000108.6V63 L72L61-V63 HydrophobicContact CD2-CG2 3.5Å; L61-V63 VanDerWaalsContact CD2-CG2 3.5Å; L61-V63 HydrophobicContact CG-CG2 3.64Å; L61-V63 PolarHBondContact O-N 2.78Å; L61-L72 HydrophobicContact CB-CB 4.31Å; L61-L72 PolarHBondContact N-O 3.16Å; L61-L72 PolarHBondContact O-N 2.74Å
62I57.6Low52.9Low52 Ų5282.4 Ų82.427%0.26741%0.414SS..EExtended strand (participates in β ladder)trans-80.4111.8169.1-61.4119.2000107.8F19 F69 I71F19-I62 HydrophobicContact CE1-CD1 4.38Å; F19-I62 HydrophobicContact CE1-CG2 4.31Å; F19-I62 HydrophobicContact CE2-CD1 4.36Å; F19-I62 HydrophobicContact CE2-CG1 4.34Å; F19-I62 HydrophobicContact CZ-CB 4.43Å; F19-I62 HydrophobicContact CZ-CD1 3.57Å; F19-I62 HydrophobicContact CZ-CG1 3.86Å; F19-I62 HydrophobicContact CZ-CG2 4.12Å; I62-F69 HydrophobicContact CG2-CB 4.26Å; I62-F69 HydrophobicContact CG2-CD1 3.93Å; I62-F69 HydrophobicContact CG2-CG 4.49Å; I62-I71 HydrophobicContact CG1-CG1 4.09Å
63V53.2Low53Low48 Ų4884.9 Ų84.929%0.29142%0.423SS..EExtended strand (participates in β ladder)trans-107.5122.6176.5-177.20000108.9L61 T65 F69 Q70 L72L61-V63 HydrophobicContact CD2-CG2 3.5Å; L61-V63 VanDerWaalsContact CD2-CG2 3.5Å; L61-V63 HydrophobicContact CG-CG2 3.64Å; L61-V63 PolarHBondContact O-N 2.78Å; V63-T65 HydrophobicContact CG1-CG2 4.49Å; V63-T65 PolarHBondContact O-N 3.47Å; V63-F69 CarbonylContact O-C 3.57Å; V63-F69 WeakPolarHBondContact O-CA 3.46Å; V63-Q70 PolarHBondContact N-O 3.42Å; V63-Q70 PolarHBondContact O-N 2.89Å; V63-L72 HydrophobicContact CG2-CD1 3.82Å; V63-L72 HydrophobicContact CG2-CG 4.45Å
64R54.6Low53.2Low109 Ų10988.2 Ų88.241%0.41144%0.44SS..EExtended strand (participates in β ladder)trans-76.2116.3164.8-168.8167.8176.9164.8-12.2109.5D23 E26 D27 F69D23-R64 IonicContact OD2-NH1 3.17Å; D23-R64 PolarHBondContact OD2-NH1 3.04Å; D23-R64 VanDerWaalsContact OD2-NH1 3.17Å; E26-R64 PolarHBondContact O-NH1 3.41Å; E26-R64 PolarHBondContact O-NH2 3Å; D27-R64 VanDerWaalsContact C-NH1 3.25Å; R64-F69 HydrophobicContact CB-CD1 3.59Å; R64-F69 HydrophobicContact CB-CE1 3.53Å; R64-F69 HydrophobicContact CB-CG 4.45Å; R64-F69 HydrophobicContact CB-CZ 4.32Å; R64-F69 HydrophobicContact CG-CD1 3.94Å; R64-F69 HydrophobicContact CG-CE1 3.71Å; R64-F69 HydrophobicContact CG-CE2 4.44Å; R64-F69 HydrophobicContact CG-CG 4.44Å; R64-F69 HydrophobicContact CG-CZ 4Å
65T52.4Low53.4Low43 Ų4386.4 Ų86.426%0.26446%0.46SS..EExtended strand (participates in β ladder)trans-94.7158164.274.30000108.8V63 Y67 G68V63-T65 HydrophobicContact CG1-CG2 4.49Å; V63-T65 PolarHBondContact O-N 3.47Å; T65-Y67 PolarHBondContact O-N 3.38Å; T65-Y67 PolarHBondContact OG1-N 3.25Å; T65-G68 CarbonylContact C-O 3.42Å; T65-G68 WeakPolarHBondContact CA-O 3.43Å; T65-G68 WeakPolarHBondContact CB-O 3.37Å; T65-G68 PolarHBondContact N-O 2.87Å; T65-G68 PolarHBondContact O-N 2.76Å; T65-G68 PolarHBondContact OG1-N 2.61Å; T65-G68 PolarHBondContact OG1-O 2.77Å
66P46.6Very low53.4Low128 Ų12885.7 Ų85.783%0.83146%0.459SS*.THydrogen-bonded Turntrans-58.2-10.8172.520.7-31.7000114.2
67Y54.7Low53.5Low221 Ų22187.5 Ų87.587%0.86747%0.469SS*.THydrogen-bonded Turntrans-101.2-1.3176.4-55.9-73.3000113.8T65T65-Y67 PolarHBondContact O-N 3.38Å; T65-Y67 PolarHBondContact OG1-N 3.25Å
68G57.9Low53.6Low27 Ų2788.3 Ų88.328%0.27847%0.474SS..EExtended strand (participates in β ladder)trans134.9178.8-175.900000112.7T65T65-G68 CarbonylContact C-O 3.42Å; T65-G68 WeakPolarHBondContact CA-O 3.43Å; T65-G68 WeakPolarHBondContact CB-O 3.37Å; T65-G68 PolarHBondContact N-O 2.87Å; T65-G68 PolarHBondContact O-N 2.76Å; T65-G68 PolarHBondContact OG1-N 2.61Å; T65-G68 PolarHBondContact OG1-O 2.77Å
69F56.2Low53.7Low30 Ų3091.4 Ų91.413%0.13248%0.48CS..EExtended strand (participates in β ladder)trans-82.1145.6175.2-61.4-92.6000110.8Y12 I62 V63 R64Y12-F69 WeakPolarHBondContact CE2-O 3.22Å; Y12-F69 PolarHBondContact OH-O 3.18Å; I62-F69 HydrophobicContact CG2-CB 4.26Å; I62-F69 HydrophobicContact CG2-CD1 3.93Å; I62-F69 HydrophobicContact CG2-CG 4.49Å; V63-F69 CarbonylContact O-C 3.57Å; V63-F69 WeakPolarHBondContact O-CA 3.46Å; R64-F69 HydrophobicContact CB-CD1 3.59Å; R64-F69 HydrophobicContact CB-CE1 3.53Å; R64-F69 HydrophobicContact CB-CG 4.45Å; R64-F69 HydrophobicContact CB-CZ 4.32Å; R64-F69 HydrophobicContact CG-CD1 3.94Å; R64-F69 HydrophobicContact CG-CE1 3.71Å; R64-F69 HydrophobicContact CG-CE2 4.44Å; R64-F69 HydrophobicContact CG-CG 4.44Å; R64-F69 HydrophobicContact CG-CZ 4Å
70Q53Low54Low106 Ų10692 Ų9250%0.49548%0.484SS..EExtended strand (participates in β ladder)trans-128.1125.2174.3-167.716860.500108.2V63 L72V63-Q70 PolarHBondContact N-O 3.42Å; V63-Q70 PolarHBondContact O-N 2.89Å; Q70-L72 HydrophobicContact CG-CD2 4.02Å; Q70-L72 HydrophobicContact CG-CG 4.43Å; Q70-L72 PolarHBondContact O-N 3.08Å
71I56.3Low54Low57 Ų5792.2 Ų92.229%0.29249%0.493SS..EExtended strand (participates in β ladder)trans-87.5106.4173.6-54.9174.8000106.4L15 Y60 I62L15-I71 HydrophobicContact CD1-CD1 3.56Å; Y60-I71 HydrophobicContact CD1-CG2 3.53Å; Y60-I71 HydrophobicContact CE1-CG2 4.48Å; Y60-I71 HydrophobicContact CG-CG2 4.01Å; I62-I71 HydrophobicContact CG1-CG1 4.09Å
72L55.9Low54Low73 Ų7391.7 Ų91.738%0.38249%0.491SS..EExtended strand (participates in β ladder)trans-92.2122.1175.7-65.5177.2000109.2Y60 L61 V63 Q70 N74Y60-L72 CarbonylContact C-O 3.58Å; Y60-L72 VanDerWaalsContact CA-O 3.27Å; Y60-L72 WeakPolarHBondContact CA-O 3.44Å; L61-L72 HydrophobicContact CB-CB 4.31Å; L61-L72 PolarHBondContact N-O 3.16Å; L61-L72 PolarHBondContact O-N 2.74Å; V63-L72 HydrophobicContact CG2-CD1 3.82Å; V63-L72 HydrophobicContact CG2-CG 4.45Å; Q70-L72 HydrophobicContact CG-CD2 4.02Å; Q70-L72 HydrophobicContact CG-CG 4.43Å; Q70-L72 PolarHBondContact O-N 3.08Å; L72-N74 PolarHBondContact O-N 3.21Å
73L53.2Low53.8Low110 Ų11094.8 Ų94.858%0.57651%0.508SS*.EExtended strand (participates in β ladder)trans-62.2116.8165.7-81.3158.4000108.8I59 Y60 S75I59-L73 HydrophobicContact CG2-CD2 3.96Å; I59-L73 CarbonylContact O-C 3.42Å; I59-L73 VanDerWaalsContact O-CA 3.23Å; I59-L73 WeakPolarHBondContact O-CA 3.04Å; Y60-L73 HydrophobicContact CD1-CD2 3.6Å; Y60-L73 HydrophobicContact CD1-CG 3.9Å; Y60-L73 HydrophobicContact CE1-CD1 4.46Å; Y60-L73 HydrophobicContact CE1-CD2 3.03Å; Y60-L73 HydrophobicContact CE1-CG 3.56Å; Y60-L73 HydrophobicContact CE2-CD2 4.3Å; Y60-L73 HydrophobicContact CG-CD2 4.47Å; Y60-L73 VanDerWaalsContact CZ-CD2 3.42Å; L73-S75 PolarHBondContact O-N 2.89Å
74N53.4Low53.8Low102 Ų10298.7 Ų98.755%0.54553%0.527SS..  trans-66.4113166.5-162.426.9000107G58 I59 L72G58-N74 VanDerWaalsContact O-CB 3.25Å; G58-N74 WeakPolarHBondContact O-CB 3.45Å; G58-N74 PolarHBondContact O-ND2 2.93Å; I59-N74 PolarHBondContact O-N 3.34Å; L72-N74 PolarHBondContact O-N 3.21Å
75S51.4Low53.7Low178 Ų17897.7 Ų97.7100%1.24554%0.537SS*.  trans-70.60179.2-66.20000112.4L73L73-S75 PolarHBondContact O-N 2.89Å

Retrieved 75 of 75 residues in 96.3 ms (Link to these results)

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