G4VR87_SCHMA Loading...

Putative calmodulin

AlphaFold DB , UniProt , Accession G4VR87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 86 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
1M35.4Very low72.3Confident226 Ų226115.7 Ų115.7100%1.11354%0.536SS*.  090.10-74.2161.2170.500107.4R3M1-R3 PolarHBondContact O-N 2.85Å
2D53.3Low73.5Confident109 Ų109112.4 Ų112.458%0.58353%0.53SS*.  trans-73.397.8178-47.2-90.8000108.6R74D2-R74 PolarHBondContact O-NH2 3.16Å; D2-R74 IonicContact OD2-NH2 3.62Å
3R60.8Low74.3Confident229 Ų229107.2 Ų107.286%0.86451%0.507SS*.PPolyproline II helixtrans-66.1132.4173.7-72.4-174.2175.7176.3-1108.6M1M1-R3 PolarHBondContact O-N 2.85Å
4Q64.8Low75.3Confident134 Ų134100 Ų10063%0.62647%0.473SS*.PPolyproline II helixtrans-67.1130.5166-71176.2-57.900107.6T6 R74Q4-T6 PolarHBondContact O-N 2.91Å; Q4-R74 HydrophobicContact CG-CG 4.34Å
5L72.7Confident76.2Confident45 Ų4598.9 Ų98.924%0.23647%0.471CS..PPolyproline II helixtrans-61.7128169-70.1166000107.4E9 M10 I13L5-E9 HydrophobicContact CB-CB 4.39Å; L5-E9 HydrophobicContact CD2-CB 3.91Å; L5-M10 HydrophobicContact CB-CE 3.99Å; L5-M10 HydrophobicContact CB-CG 3.79Å; L5-M10 WeakPolarHBondContact O-CE 3.27Å; L5-I13 HydrophobicContact CD1-CD1 3.92Å; L5-I13 HydrophobicContact CD2-CD1 3.78Å; L5-I13 HydrophobicContact CG-CD1 4.5Å
6T82.3Confident76.7Confident70 Ų70100.6 Ų100.643%0.42948%0.478SS..PPolyproline II helixtrans-70.9160.2171.3570000110.2Q4 Q8 E9 M10Q4-T6 PolarHBondContact O-N 2.91Å; T6-Q8 PolarHBondContact O-N 2.8Å; T6-Q8 VanDerWaalsContact O-N 3.15Å; T6-E9 PolarHBondContact N-OE2 3.34Å; T6-E9 PolarHBondContact O-N 2.76Å; T6-E9 WeakPolarHBondContact OG1-CG 3.26Å; T6-E9 PolarHBondContact OG1-N 3.17Å; T6-E9 PolarHBondContact OG1-OE2 3.37Å; T6-M10 WeakPolarHBondContact O-CG 3.27Å; T6-M10 PolarHBondContact O-N 3.08Å
7E83.9Confident77.3Confident97 Ų9794.8 Ų94.845%0.45345%0.451SS..Hα-helixtrans-51.7-38.6173.3174.3175.8141.600111.5M10 R11 M67E7-M10 PolarHBondContact O-N 3.17Å; E7-R11 HydrophobicContact CG-CG 4.41Å; E7-R11 WeakPolarHBondContact O-CB 3.21Å; E7-R11 VanDerWaalsContact O-CG 3.3Å; E7-R11 WeakPolarHBondContact O-CG 3.21Å; E7-R11 PolarHBondContact O-N 3.17Å; E7-R11 IonicContact OE1-CZ 3.33Å; E7-R11 IonicContact OE1-NE 2.91Å; E7-R11 PolarHBondContact OE1-NE 2.79Å; E7-R11 IonicContact OE1-NH2 2.85Å; E7-R11 PolarHBondContact OE1-NH2 3.1Å; E7-M67 HydrophobicContact CB-CE 4.06Å; E7-M67 VanDerWaalsContact CD-CE 3.47Å; E7-M67 HydrophobicContact CG-CE 3.47Å; E7-M67 VanDerWaalsContact CG-CE 3.47Å; E7-M67 HydrophobicContact CG-SD 4.02Å; E7-M67 WeakPolarHBondContact OE2-CE 3.29Å
8Q85.6Confident78Confident153 Ų15389.8 Ų89.872%0.71543%0.427SS*.Hα-helixtrans-65.3-41.9178.1-67.8-178.6-25.300112.5T6 R11 T12T6-Q8 PolarHBondContact O-N 2.8Å; T6-Q8 VanDerWaalsContact O-N 3.15Å; Q8-R11 PolarHBondContact O-N 2.86Å; Q8-T12 WeakPolarHBondContact O-CB 3.3Å; Q8-T12 PolarHBondContact O-N 3.35Å; Q8-T12 PolarHBondContact O-OG1 2.94Å
9E84.1Confident78.3Confident82 Ų8291.9 Ų91.938%0.38343%0.43SS..Hα-helixtrans-67.8-40.6175.5-72.7172117.900111.3L5 T6 T12 I13L5-E9 HydrophobicContact CB-CB 4.39Å; L5-E9 HydrophobicContact CD2-CB 3.91Å; T6-E9 PolarHBondContact N-OE2 3.34Å; T6-E9 PolarHBondContact O-N 2.76Å; T6-E9 WeakPolarHBondContact OG1-CG 3.26Å; T6-E9 PolarHBondContact OG1-N 3.17Å; T6-E9 PolarHBondContact OG1-OE2 3.37Å; E9-T12 PolarHBondContact O-N 2.89Å; E9-I13 WeakPolarHBondContact O-CB 3.3Å; E9-I13 VanDerWaalsContact O-CG1 3.26Å; E9-I13 WeakPolarHBondContact O-CG1 3.27Å; E9-I13 PolarHBondContact O-N 2.83Å
10M84.5Confident78.8Confident7 Ų791.6 Ų91.63%0.03443%0.431CS..Hα-helixtrans-61.4-45.3175.3-67.2-172.6-161.500111.3L5 T6 E7 T12 I13 F14 F66 M67 F70L5-M10 HydrophobicContact CB-CE 3.99Å; L5-M10 HydrophobicContact CB-CG 3.79Å; L5-M10 WeakPolarHBondContact O-CE 3.27Å; T6-M10 WeakPolarHBondContact O-CG 3.27Å; T6-M10 PolarHBondContact O-N 3.08Å; E7-M10 PolarHBondContact O-N 3.17Å; M10-T12 PolarHBondContact O-N 3.23Å; M10-I13 PolarHBondContact O-N 3.33Å; M10-F14 VanDerWaalsContact O-CB 3.23Å; M10-F14 WeakPolarHBondContact O-CB 3.19Å; M10-F14 PolarHBondContact O-N 3.36Å; M10-F66 HydrophobicContact CB-CD1 4.01Å; M10-F66 HydrophobicContact CB-CE1 3.82Å; M10-F66 HydrophobicContact CG-CD1 4.36Å; M10-F66 HydrophobicContact CG-CE1 4.01Å; M10-F66 HydrophobicContact SD-CD1 4.47Å; M10-M67 HydrophobicContact CB-CG 4.36Å; M10-M67 HydrophobicContact SD-CB 4.16Å; M10-M67 HydrophobicContact SD-CG 3.88Å; M10-F70 HydrophobicContact CE-CB 3.57Å; M10-F70 HydrophobicContact SD-CB 3.83Å
11R87.2Confident79.1Confident121 Ų12192.8 Ų92.846%0.45744%0.437SS..Hα-helixtrans-59.5-44.8173.8-77.2175.9-176.5-94.73.8111.6E7 Q8 I13 F14 D15 L63E7-R11 HydrophobicContact CG-CG 4.41Å; E7-R11 WeakPolarHBondContact O-CB 3.21Å; E7-R11 VanDerWaalsContact O-CG 3.3Å; E7-R11 WeakPolarHBondContact O-CG 3.21Å; E7-R11 PolarHBondContact O-N 3.17Å; E7-R11 IonicContact OE1-CZ 3.33Å; E7-R11 IonicContact OE1-NE 2.91Å; E7-R11 PolarHBondContact OE1-NE 2.79Å; E7-R11 IonicContact OE1-NH2 2.85Å; E7-R11 PolarHBondContact OE1-NH2 3.1Å; Q8-R11 PolarHBondContact O-N 2.86Å; R11-I13 PolarHBondContact O-N 2.74Å; R11-F14 PolarHBondContact O-N 3.45Å; R11-D15 VanDerWaalsContact O-CB 3.23Å; R11-D15 WeakPolarHBondContact O-CB 3.4Å; R11-D15 PolarHBondContact O-N 2.75Å; R11-L63 HydrophobicContact CG-CD1 3.94Å; R11-L63 HydrophobicContact CG-CD2 3.96Å
12T87Confident81.6Confident76 Ų7685.5 Ų85.547%0.46640%0.402SS..Hα-helixtrans-62.7-41.9177.8-55.60000111.9Q8 E9 M10 H16Q8-T12 WeakPolarHBondContact O-CB 3.3Å; Q8-T12 PolarHBondContact O-N 3.35Å; Q8-T12 PolarHBondContact O-OG1 2.94Å; E9-T12 PolarHBondContact O-N 2.89Å; M10-T12 PolarHBondContact O-N 3.23Å; T12-H16 PolarHBondContact O-N 2.89Å; T12-H16 VanDerWaalsContact O-N 3.1Å; T12-H16 PolarHBondContact O-ND1 2.86Å
13I84.3Confident83.2Confident44 Ų4481.8 Ų81.823%0.22639%0.389CS..Hα-helixtrans-65.9-43.1176.3-69.5163.8000110.2L5 E9 M10 R11 H16 M17 F66L5-I13 HydrophobicContact CD1-CD1 3.92Å; L5-I13 HydrophobicContact CD2-CD1 3.78Å; L5-I13 HydrophobicContact CG-CD1 4.5Å; E9-I13 WeakPolarHBondContact O-CB 3.3Å; E9-I13 VanDerWaalsContact O-CG1 3.26Å; E9-I13 WeakPolarHBondContact O-CG1 3.27Å; E9-I13 PolarHBondContact O-N 2.83Å; M10-I13 PolarHBondContact O-N 3.33Å; R11-I13 PolarHBondContact O-N 2.74Å; I13-H16 PolarHBondContact O-N 3.04Å; I13-M17 HydrophobicContact CG2-CE 3.8Å; I13-M17 WeakPolarHBondContact O-CG 3.49Å; I13-M17 PolarHBondContact O-N 3.33Å; I13-F66 HydrophobicContact CG2-CZ 3.91Å
14F87.6Confident84.7Confident7 Ų775.4 Ų75.43%0.03137%0.366CS..Hα-helixtrans-62.4-47178.3-167.1-84000111.3M10 R11 H16 M17 D18 G23 V25 I61 L63 F66M10-F14 VanDerWaalsContact O-CB 3.23Å; M10-F14 WeakPolarHBondContact O-CB 3.19Å; M10-F14 PolarHBondContact O-N 3.36Å; R11-F14 PolarHBondContact O-N 3.45Å; F14-H16 VanDerWaalsContact C-N 3.3Å; F14-H16 PolarHBondContact O-N 3.15Å; F14-M17 CarbonylContact O-C 3.42Å; F14-M17 WeakPolarHBondContact O-CA 3.32Å; F14-M17 WeakPolarHBondContact O-CB 2.92Å; F14-M17 PolarHBondContact O-N 2.84Å; F14-D18 HydrophobicContact CD1-CB 3.98Å; F14-D18 HydrophobicContact CE1-CB 3.83Å; F14-D18 WeakPolarHBondContact O-CB 3.06Å; F14-D18 PolarHBondContact O-N 3.15Å; F14-G23 VanDerWaalsContact CE1-C 3.44Å; F14-G23 VanDerWaalsContact CZ-C 3.46Å; F14-G23 WeakPolarHBondContact CZ-O 3.4Å; F14-V25 HydrophobicContact CD1-CG2 4.31Å; F14-V25 HydrophobicContact CD2-CG2 3.95Å; F14-V25 HydrophobicContact CE1-CG2 3.99Å; F14-V25 HydrophobicContact CE2-CB 4.23Å; F14-V25 HydrophobicContact CE2-CG2 3.61Å; F14-V25 HydrophobicContact CG-CG2 4.3Å; F14-V25 HydrophobicContact CZ-CB 4.33Å; F14-V25 HydrophobicContact CZ-CG2 3.64Å; F14-I61 VanDerWaalsContact CE2-O 3.25Å; F14-I61 WeakPolarHBondContact CE2-O 3.38Å; F14-I61 VanDerWaalsContact CZ-O 3.31Å; F14-I61 WeakPolarHBondContact CZ-O 3.36Å; F14-L63 HydrophobicContact CB-CD1 3.83Å; F14-L63 HydrophobicContact CD1-CB 4.5Å; F14-L63 HydrophobicContact CD1-CD1 4.25Å; F14-L63 HydrophobicContact CD2-CB 4.47Å; F14-L63 HydrophobicContact CD2-CD1 4.1Å; F14-L63 HydrophobicContact CE1-CB 4.38Å; F14-L63 HydrophobicContact CE2-CB 4.33Å; F14-L63 HydrophobicContact CG-CD1 3.79Å; F14-L63 HydrophobicContact CZ-CB 4.27Å; F14-F66 HydrophobicContact CD2-CB 4.11Å; F14-F66 HydrophobicContact CD2-CD2 4.45Å; F14-F66 HydrophobicContact CD2-CG 4.15Å; F14-F66 HydrophobicContact CE2-CB 4.37Å
15D88.7Confident85.8Confident83 Ų8369.1 Ų69.144%0.44434%0.337SS..Hα-helixtrans-61.4-37178.4-167.172.4000112.2R11 M17 H21R11-D15 VanDerWaalsContact O-CB 3.23Å; R11-D15 WeakPolarHBondContact O-CB 3.4Å; R11-D15 PolarHBondContact O-N 2.75Å; D15-M17 VanDerWaalsContact C-N 3.28Å; D15-M17 PolarHBondContact O-N 3.24Å; D15-H21 IonicContact OD1-CE1 3.63Å; D15-H21 PolarHBondContact OD1-CE1 3.38Å; D15-H21 IonicContact OD1-ND1 2.84Å; D15-H21 PolarHBondContact OD1-ND1 3.31Å; D15-H21 IonicContact OD2-CE1 3.15Å
16H85.2Confident86.7Confident126 Ų12668.7 Ų68.758%0.58334%0.336SS*.Hα-helixtrans-66.7-26.5172.1-77.7140.7000114T12 I13 F14 F33T12-H16 PolarHBondContact O-N 2.89Å; T12-H16 VanDerWaalsContact O-N 3.1Å; T12-H16 PolarHBondContact O-ND1 2.86Å; I13-H16 PolarHBondContact O-N 3.04Å; F14-H16 VanDerWaalsContact C-N 3.3Å; F14-H16 PolarHBondContact O-N 3.15Å; H16-F33 HydrophobicContact CB-CE2 4.13Å
17M87.1Confident87Confident3 Ų367 Ų672%0.01533%0.329CS..Hα-helixtrans-86.4-40.6176.7-68.8-174.3-6600111.8I13 F14 D15 R19 V25 L30 F33 F66 F77I13-M17 HydrophobicContact CG2-CE 3.8Å; I13-M17 WeakPolarHBondContact O-CG 3.49Å; I13-M17 PolarHBondContact O-N 3.33Å; F14-M17 CarbonylContact O-C 3.42Å; F14-M17 WeakPolarHBondContact O-CA 3.32Å; F14-M17 WeakPolarHBondContact O-CB 2.92Å; F14-M17 PolarHBondContact O-N 2.84Å; D15-M17 VanDerWaalsContact C-N 3.28Å; D15-M17 PolarHBondContact O-N 3.24Å; M17-R19 PolarHBondContact O-N 2.92Å; M17-V25 HydrophobicContact CB-CG1 4.1Å; M17-V25 HydrophobicContact CB-CG2 3.68Å; M17-V25 HydrophobicContact CE-CG2 4.41Å; M17-L30 HydrophobicContact SD-CD1 3.84Å; M17-F33 HydrophobicContact CG-CB 4.14Å; M17-F33 HydrophobicContact CG-CD1 3.71Å; M17-F33 HydrophobicContact CG-CD2 3.82Å; M17-F33 HydrophobicContact CG-CE1 4.02Å; M17-F33 HydrophobicContact CG-CE2 4.12Å; M17-F33 HydrophobicContact CG-CG 3.61Å; M17-F33 HydrophobicContact CG-CZ 4.21Å; M17-F33 HydrophobicContact SD-CD1 4.06Å; M17-F33 HydrophobicContact SD-CE1 4.3Å; M17-F33 HydrophobicContact SD-CG 4.5Å; M17-F66 HydrophobicContact CE-CD2 4.33Å; M17-F66 HydrophobicContact CE-CE2 3.73Å; M17-F66 HydrophobicContact CE-CZ 4.2Å; M17-F77 HydrophobicContact CE-CE2 4.29Å; M17-F77 HydrophobicContact SD-CE2 3.76Å; M17-F77 HydrophobicContact SD-CZ 3.67Å
18D89Confident87.3Confident4 Ų470.8 Ų70.82%0.02134%0.344CS..  trans-78.582.9-177.3-177.16.3000111.2F14 N20 H21 N22 G23 V25F14-D18 HydrophobicContact CD1-CB 3.98Å; F14-D18 HydrophobicContact CE1-CB 3.83Å; F14-D18 WeakPolarHBondContact O-CB 3.06Å; F14-D18 PolarHBondContact O-N 3.15Å; D18-N20 VanDerWaalsContact C-N 3.25Å; D18-N20 PolarHBondContact O-N 3.27Å; D18-N20 PolarHBondContact OD1-N 3.49Å; D18-N20 PolarHBondContact OD1-OD1 2.79Å; D18-H21 VanDerWaalsContact CG-CA 3.48Å; D18-H21 PolarHBondContact O-N 2.82Å; D18-H21 WeakPolarHBondContact OD1-CA 3.42Å; D18-H21 PolarHBondContact OD1-N 3.26Å; D18-H21 VanDerWaalsContact OD2-C 3.31Å; D18-H21 VanDerWaalsContact OD2-CA 3.24Å; D18-H21 WeakPolarHBondContact OD2-CA 3.24Å; D18-N22 PolarHBondContact OD1-N 2.86Å; D18-N22 PolarHBondContact OD1-OD1 3.31Å; D18-N22 PolarHBondContact OD2-N 2.79Å; D18-N22 VanDerWaalsContact OD2-N 3.1Å; D18-G23 WeakPolarHBondContact OD2-CA 3.18Å; D18-G23 PolarHBondContact OD2-N 3.29Å; D18-V25 HydrophobicContact CB-CG2 4.05Å
19R84.7Confident87.5Confident131 Ų13164.4 Ų64.449%0.49431%0.314SS..THydrogen-bonded Turntrans-69.4-22-177.2-72.8-164.9-75.3168.8-2.7114.1M17M17-R19 PolarHBondContact O-N 2.92Å
20N88.1Confident87.7Confident84 Ų8460.5 Ų60.545%0.44930%0.296SS..THydrogen-bonded Turntrans-96.6-3.9178.67026000112D18 N22 E29D18-N20 VanDerWaalsContact C-N 3.25Å; D18-N20 PolarHBondContact O-N 3.27Å; D18-N20 PolarHBondContact OD1-N 3.49Å; D18-N20 PolarHBondContact OD1-OD1 2.79Å; N20-N22 PolarHBondContact ND2-ND2 2.88Å; N20-N22 PolarHBondContact O-N 3.28Å; N20-N22 WeakPolarHBondContact OD1-CB 3.4Å; N20-N22 PolarHBondContact OD1-N 3.02Å; N20-N22 PolarHBondContact OD1-ND2 3.41Å; N20-N22 PolarHBondContact OD1-OD1 3.47Å; N20-E29 PolarHBondContact ND2-OE1 3.48Å
21H84.6Confident87.8Confident118 Ų11862.4 Ų62.455%0.54630%0.304SS..  trans50.435.9-177.4-58.5-78.9000113D15 D18 G23D15-H21 IonicContact OD1-CE1 3.63Å; D15-H21 PolarHBondContact OD1-CE1 3.38Å; D15-H21 IonicContact OD1-ND1 2.84Å; D15-H21 PolarHBondContact OD1-ND1 3.31Å; D15-H21 IonicContact OD2-CE1 3.15Å; D18-H21 VanDerWaalsContact CG-CA 3.48Å; D18-H21 PolarHBondContact O-N 2.82Å; D18-H21 WeakPolarHBondContact OD1-CA 3.42Å; D18-H21 PolarHBondContact OD1-N 3.26Å; D18-H21 VanDerWaalsContact OD2-C 3.31Å; D18-H21 VanDerWaalsContact OD2-CA 3.24Å; D18-H21 WeakPolarHBondContact OD2-CA 3.24Å; H21-G23 VanDerWaalsContact C-N 3.31Å
22N87.8Confident87.8Confident73 Ų7362.1 Ų62.139%0.3930%0.304SS..SBendtrans-84.3-6.4178.673.5-5000112.9D18 N20 Y24D18-N22 PolarHBondContact OD1-N 2.86Å; D18-N22 PolarHBondContact OD1-OD1 3.31Å; D18-N22 PolarHBondContact OD2-N 2.79Å; D18-N22 VanDerWaalsContact OD2-N 3.1Å; N20-N22 PolarHBondContact ND2-ND2 2.88Å; N20-N22 PolarHBondContact O-N 3.28Å; N20-N22 WeakPolarHBondContact OD1-CB 3.4Å; N20-N22 PolarHBondContact OD1-N 3.02Å; N20-N22 PolarHBondContact OD1-ND2 3.41Å; N20-N22 PolarHBondContact OD1-OD1 3.47Å; N22-Y24 VanDerWaalsContact O-CD2 3.27Å; N22-Y24 WeakPolarHBondContact O-CD2 3.46Å; N22-Y24 WeakPolarHBondContact OD1-CA 3.23Å; N22-Y24 WeakPolarHBondContact OD1-CB 3.48Å; N22-Y24 PolarHBondContact OD1-N 2.86Å; N22-Y24 PolarHBondContact OD1-O 3.32Å
23G87.6Confident87.7Confident30 Ų3060.1 Ų60.131%0.30929%0.288SS..SBendtrans87.49.4-176.200000114.7F14 D18 H21 L63F14-G23 VanDerWaalsContact CE1-C 3.44Å; F14-G23 VanDerWaalsContact CZ-C 3.46Å; F14-G23 WeakPolarHBondContact CZ-O 3.4Å; D18-G23 WeakPolarHBondContact OD2-CA 3.18Å; D18-G23 PolarHBondContact OD2-N 3.29Å; H21-G23 VanDerWaalsContact C-N 3.31Å; G23-L63 PolarHBondContact O-N 2.72Å
24Y91Very high87.6Confident96 Ų9658.5 Ų58.538%0.37628%0.28SS..EExtended strand (participates in β ladder)trans-139123.2-175.9-58.8-86.7000111.7N22 T26 Q60 I61N22-Y24 VanDerWaalsContact O-CD2 3.27Å; N22-Y24 WeakPolarHBondContact O-CD2 3.46Å; N22-Y24 WeakPolarHBondContact OD1-CA 3.23Å; N22-Y24 WeakPolarHBondContact OD1-CB 3.48Å; N22-Y24 PolarHBondContact OD1-N 2.86Å; N22-Y24 PolarHBondContact OD1-O 3.32Å; Y24-T26 PolarHBondContact O-N 2.93Å; Y24-Q60 HydrophobicContact CD1-CG 4.2Å; Y24-I61 WeakPolarHBondContact CA-O 3.26Å
25V89.8Confident87.5Confident2 Ų265 Ų651%0.01231%0.305CS..EExtended strand (participates in β ladder)trans-91.3110.3174.6174.40000109.6F14 M17 D18 E29 L30 Q60 I61F14-V25 HydrophobicContact CD1-CG2 4.31Å; F14-V25 HydrophobicContact CD2-CG2 3.95Å; F14-V25 HydrophobicContact CE1-CG2 3.99Å; F14-V25 HydrophobicContact CE2-CB 4.23Å; F14-V25 HydrophobicContact CE2-CG2 3.61Å; F14-V25 HydrophobicContact CG-CG2 4.3Å; F14-V25 HydrophobicContact CZ-CB 4.33Å; F14-V25 HydrophobicContact CZ-CG2 3.64Å; M17-V25 HydrophobicContact CB-CG1 4.1Å; M17-V25 HydrophobicContact CB-CG2 3.68Å; M17-V25 HydrophobicContact CE-CG2 4.41Å; D18-V25 HydrophobicContact CB-CG2 4.05Å; V25-E29 HydrophobicContact CG1-CB 4.22Å; V25-L30 HydrophobicContact CG1-CB 3.82Å; V25-Q60 WeakPolarHBondContact O-CA 3.41Å; V25-I61 PolarHBondContact N-O 2.81Å; V25-I61 PolarHBondContact O-N 2.99Å
26T90.9Very high87.2Confident36 Ų3666.8 Ų66.822%0.22131%0.314CS..EExtended strand (participates in β ladder)trans-78.8163.3176.2660000112.2Y24 K28 E29 L30 Q60Y24-T26 PolarHBondContact O-N 2.93Å; T26-K28 PolarHBondContact O-N 3.21Å; T26-K28 VanDerWaalsContact O-N 3.08Å; T26-K28 PolarHBondContact OG1-N 2.94Å; T26-E29 WeakPolarHBondContact CB-OE2 3.35Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.17Å; T26-E29 PolarHBondContact N-OE2 3.25Å; T26-E29 PolarHBondContact O-N 2.85Å; T26-E29 VanDerWaalsContact O-N 3.08Å; T26-E29 PolarHBondContact OG1-N 2.69Å; T26-E29 PolarHBondContact OG1-OE2 2.86Å; T26-L30 PolarHBondContact O-N 2.84Å; T26-Q60 HydrophobicContact CG2-CB 4.28Å
27A89Confident86.7Confident34 Ų3467.2 Ų67.228%0.28132%0.316SS..Hα-helixtrans-53-30.1170.300000114.4K31 V46 I50A27-K31 WeakPolarHBondContact O-CB 3.27Å; A27-K31 PolarHBondContact O-N 3.08Å; A27-V46 HydrophobicContact CB-CG1 4.26Å; A27-V46 WeakPolarHBondContact O-CG1 3.35Å; A27-I50 HydrophobicContact CB-CD1 3.4Å; A27-I50 VanDerWaalsContact CB-CD1 3.4Å
28K89.3Confident85.8Confident177 Ų17770.4 Ų70.477%0.7733%0.332SS*.Hα-helixtrans-74.6-42.2178.4-66.8178.8-177.1172.30111.4T26 Y32T26-K28 PolarHBondContact O-N 3.21Å; T26-K28 VanDerWaalsContact O-N 3.08Å; T26-K28 PolarHBondContact OG1-N 2.94Å; K28-Y32 WeakPolarHBondContact O-CB 3.05Å; K28-Y32 PolarHBondContact O-N 2.94Å
29E90.5Very high84.7Confident18 Ų1874.5 Ų74.58%0.08437%0.367CS..Hα-helixtrans-67.3-50.4177.8-79.8149.9164.500111.4N20 V25 T26 K31 Y32 F33N20-E29 PolarHBondContact ND2-OE1 3.48Å; V25-E29 HydrophobicContact CG1-CB 4.22Å; T26-E29 WeakPolarHBondContact CB-OE2 3.35Å; T26-E29 WeakPolarHBondContact CG2-OE2 3.17Å; T26-E29 PolarHBondContact N-OE2 3.25Å; T26-E29 PolarHBondContact O-N 2.85Å; T26-E29 VanDerWaalsContact O-N 3.08Å; T26-E29 PolarHBondContact OG1-N 2.69Å; T26-E29 PolarHBondContact OG1-OE2 2.86Å; E29-K31 VanDerWaalsContact C-N 3.31Å; E29-K31 PolarHBondContact O-N 3.37Å; E29-Y32 WeakPolarHBondContact O-CB 3Å; E29-Y32 PolarHBondContact O-N 3.16Å; E29-F33 WeakPolarHBondContact O-CB 3.36Å; E29-F33 PolarHBondContact O-N 3.08Å
30L87.4Confident84.3Confident0 Ų077.9 Ų77.90%038%0.38CS..Hα-helixtrans-57.4-46.2175.7-178.564.2000111.2M17 V25 T26 Y32 F33 L34 V46 F49 I50 F77M17-L30 HydrophobicContact SD-CD1 3.84Å; V25-L30 HydrophobicContact CG1-CB 3.82Å; T26-L30 PolarHBondContact O-N 2.84Å; L30-Y32 VanDerWaalsContact C-N 3.29Å; L30-Y32 PolarHBondContact O-N 2.9Å; L30-F33 PolarHBondContact O-N 2.95Å; L30-L34 HydrophobicContact CD1-CD1 3.99Å; L30-L34 HydrophobicContact CD1-CG 4.08Å; L30-L34 HydrophobicContact CD2-CD1 4.36Å; L30-L34 HydrophobicContact CG-CD1 3.77Å; L30-L34 HydrophobicContact CG-CG 4.28Å; L30-L34 VanDerWaalsContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.09Å; L30-L34 PolarHBondContact O-N 2.65Å; L30-V46 HydrophobicContact CB-CG1 4.27Å; L30-V46 HydrophobicContact CD2-CG1 3.94Å; L30-V46 HydrophobicContact CG-CG1 4.2Å; L30-F49 HydrophobicContact CD1-CE1 4.38Å; L30-F49 HydrophobicContact CD2-CD1 3.43Å; L30-F49 VanDerWaalsContact CD2-CD1 3.43Å; L30-F49 HydrophobicContact CD2-CE1 4.01Å; L30-F49 HydrophobicContact CD2-CG 4.36Å; L30-I50 HydrophobicContact CB-CD1 4.49Å; L30-I50 HydrophobicContact CD2-CD1 3.94Å; L30-I50 HydrophobicContact CD2-CG1 3.64Å; L30-F77 HydrophobicContact CD1-CE2 3.96Å; L30-F77 HydrophobicContact CD1-CZ 3.64Å
31K86.9Confident84Confident48 Ų4874.1 Ų74.121%0.20936%0.36CS..Hα-helixtrans-58.9-42176.3-179.4-179.4176.6-169.30111.9A27 E29 R35 V41 N43 V46A27-K31 WeakPolarHBondContact O-CB 3.27Å; A27-K31 PolarHBondContact O-N 3.08Å; E29-K31 VanDerWaalsContact C-N 3.31Å; E29-K31 PolarHBondContact O-N 3.37Å; K31-R35 VanDerWaalsContact O-CB 3.3Å; K31-R35 WeakPolarHBondContact O-CB 3.5Å; K31-R35 VanDerWaalsContact O-CG 3.29Å; K31-R35 WeakPolarHBondContact O-CG 3.43Å; K31-R35 PolarHBondContact O-N 3.34Å; K31-V41 HydrophobicContact CG-CG2 4.35Å; K31-N43 VanDerWaalsContact CD-OD1 3.27Å; K31-N43 WeakPolarHBondContact CD-OD1 3.23Å; K31-N43 WeakPolarHBondContact CE-OD1 3.34Å; K31-N43 PolarHBondContact NZ-OD1 3.38Å; K31-V46 HydrophobicContact CB-CG1 4.14Å; K31-V46 HydrophobicContact CB-CG2 3.91Å; K31-V46 HydrophobicContact CG-CG2 4.16Å
32Y87.6Confident84Confident114 Ų11471.7 Ų71.745%0.44735%0.354SS..Hα-helixtrans-67.2-47.4-179.9-178.7-89.3000111.4K28 E29 L30 L34 R35 L36K28-Y32 WeakPolarHBondContact O-CB 3.05Å; K28-Y32 PolarHBondContact O-N 2.94Å; E29-Y32 WeakPolarHBondContact O-CB 3Å; E29-Y32 PolarHBondContact O-N 3.16Å; L30-Y32 VanDerWaalsContact C-N 3.29Å; L30-Y32 PolarHBondContact O-N 2.9Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; Y32-L34 PolarHBondContact O-N 2.91Å; Y32-R35 PolarHBondContact O-N 2.95Å; Y32-R35 VanDerWaalsContact O-N 3.16Å; Y32-L36 PolarHBondContact O-N 2.76Å
33F84.4Confident84Confident34 Ų3472.8 Ų72.815%0.14936%0.359CS..Hα-helixtrans-57.4-49175.9179.9-96.2000111H16 M17 E29 L30 R35 L36 H37 F77H16-F33 HydrophobicContact CB-CE2 4.13Å; M17-F33 HydrophobicContact CG-CB 4.14Å; M17-F33 HydrophobicContact CG-CD1 3.71Å; M17-F33 HydrophobicContact CG-CD2 3.82Å; M17-F33 HydrophobicContact CG-CE1 4.02Å; M17-F33 HydrophobicContact CG-CE2 4.12Å; M17-F33 HydrophobicContact CG-CG 3.61Å; M17-F33 HydrophobicContact CG-CZ 4.21Å; M17-F33 HydrophobicContact SD-CD1 4.06Å; M17-F33 HydrophobicContact SD-CE1 4.3Å; M17-F33 HydrophobicContact SD-CG 4.5Å; E29-F33 WeakPolarHBondContact O-CB 3.36Å; E29-F33 PolarHBondContact O-N 3.08Å; L30-F33 PolarHBondContact O-N 2.95Å; F33-R35 VanDerWaalsContact C-N 3.33Å; F33-R35 PolarHBondContact O-N 2.95Å; F33-L36 WeakPolarHBondContact O-CB 3.34Å; F33-L36 PolarHBondContact O-N 2.87Å; F33-L36 VanDerWaalsContact O-N 3.11Å; F33-H37 AromaticContact CD2-CD2 3.93Å; F33-H37 AromaticContact CE1-CD2 3.78Å; F33-H37 AromaticContact CE2-CD2 3.58Å; F33-H37 AromaticContact CE2-NE2 3.41Å; F33-H37 WeakPolarHBondContact CE2-NE2 3.44Å; F33-H37 AromaticContact CZ-CD2 3.5Å; F33-H37 AromaticContact CZ-NE2 3.56Å; F33-H37 PolarHBondContact O-CD2 3.44Å; F33-H37 VanDerWaalsContact O-CD2 3.31Å; F33-H37 PolarHBondContact O-N 3.5Å; F33-H37 VanDerWaalsContact O-N 3.11Å; F33-F77 HydrophobicContact CD1-CE1 4.43Å; F33-F77 HydrophobicContact CD1-CZ 4.45Å; F33-F77 HydrophobicContact CE1-CE1 4.02Å; F33-F77 HydrophobicContact CE1-CZ 4.39Å
34L83Confident84Confident10 Ų1080.7 Ų80.75%0.05238%0.38CS..Hα-helixtrans-63.2-36.6176.5-74.4172.5000112.5L30 Y32 L36 H37 D38 V41 V46 F77 F81L30-L34 HydrophobicContact CD1-CD1 3.99Å; L30-L34 HydrophobicContact CD1-CG 4.08Å; L30-L34 HydrophobicContact CD2-CD1 4.36Å; L30-L34 HydrophobicContact CG-CD1 3.77Å; L30-L34 HydrophobicContact CG-CG 4.28Å; L30-L34 VanDerWaalsContact O-CB 3.24Å; L30-L34 WeakPolarHBondContact O-CB 3.31Å; L30-L34 VanDerWaalsContact O-CG 3.23Å; L30-L34 WeakPolarHBondContact O-CG 3.09Å; L30-L34 PolarHBondContact O-N 2.65Å; Y32-L34 VanDerWaalsContact C-N 3.34Å; Y32-L34 PolarHBondContact O-N 2.91Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-L36 PolarHBondContact O-N 3.4Å; L34-H37 PolarHBondContact O-N 2.83Å; L34-D38 CarbonylContact O-C 3.57Å; L34-D38 WeakPolarHBondContact O-CA 3.25Å; L34-D38 PolarHBondContact O-N 3.33Å; L34-V41 HydrophobicContact CB-CB 4.24Å; L34-V41 HydrophobicContact CB-CG1 3.85Å; L34-V41 HydrophobicContact CB-CG2 3.61Å; L34-V41 HydrophobicContact CD1-CG1 4.42Å; L34-V46 HydrophobicContact CD1-CG2 4.04Å; L34-F77 HydrophobicContact CD2-CE1 4.06Å; L34-F77 HydrophobicContact CD2-CZ 4.2Å; L34-F81 HydrophobicContact CD1-CD2 3.8Å; L34-F81 HydrophobicContact CD1-CE1 4.48Å; L34-F81 HydrophobicContact CD1-CE2 3.38Å; L34-F81 HydrophobicContact CD1-CZ 3.79Å; L34-F81 HydrophobicContact CD2-CD1 4.13Å; L34-F81 HydrophobicContact CD2-CD2 4.15Å; L34-F81 HydrophobicContact CD2-CE1 4.28Å; L34-F81 HydrophobicContact CD2-CE2 4.32Å; L34-F81 HydrophobicContact CD2-CG 4.08Å; L34-F81 HydrophobicContact CD2-CZ 4.4Å; L34-F81 HydrophobicContact CG-CE2 4.48Å
35R84.7Confident83.9Confident145 Ų14577.1 Ų77.155%0.54737%0.367SS..Hα-helixtrans-66.6-31.8173.9-84.6-175.4162-157.7-9.8113.1K31 Y32 F33 D38 V41K31-R35 VanDerWaalsContact O-CB 3.3Å; K31-R35 WeakPolarHBondContact O-CB 3.5Å; K31-R35 VanDerWaalsContact O-CG 3.29Å; K31-R35 WeakPolarHBondContact O-CG 3.43Å; K31-R35 PolarHBondContact O-N 3.34Å; Y32-R35 PolarHBondContact O-N 2.95Å; Y32-R35 VanDerWaalsContact O-N 3.16Å; F33-R35 VanDerWaalsContact C-N 3.33Å; F33-R35 PolarHBondContact O-N 2.95Å; R35-D38 WeakPolarHBondContact CA-O 3.27Å; R35-V41 HydrophobicContact CG-CG2 3.69Å
36L82.3Confident83.8Confident120 Ų12077.1 Ų77.163%0.62837%0.367SS*.Hα-helixtrans-69.7-35.6176.9-170.166000111.3Y32 F33 L34Y32-L36 PolarHBondContact O-N 2.76Å; F33-L36 WeakPolarHBondContact O-CB 3.34Å; F33-L36 PolarHBondContact O-N 2.87Å; F33-L36 VanDerWaalsContact O-N 3.11Å; L34-L36 VanDerWaalsContact C-N 3.3Å; L34-L36 PolarHBondContact O-N 3.4Å
37H75.3Confident83.7Confident135 Ų13582.1 Ų82.163%0.62539%0.385SS*.Hα-helixtrans-98.2-23.2-178.4-70.9-76.9000115F33 L34F33-H37 AromaticContact CD2-CD2 3.93Å; F33-H37 AromaticContact CE1-CD2 3.78Å; F33-H37 AromaticContact CE2-CD2 3.58Å; F33-H37 AromaticContact CE2-NE2 3.41Å; F33-H37 WeakPolarHBondContact CE2-NE2 3.44Å; F33-H37 AromaticContact CZ-CD2 3.5Å; F33-H37 AromaticContact CZ-NE2 3.56Å; F33-H37 PolarHBondContact O-CD2 3.44Å; F33-H37 VanDerWaalsContact O-CD2 3.31Å; F33-H37 PolarHBondContact O-N 3.5Å; F33-H37 VanDerWaalsContact O-N 3.11Å; L34-H37 PolarHBondContact O-N 2.83Å
38D68.2Low83.6Confident69 Ų6984.3 Ų84.337%0.36939%0.39SS..SBendtrans-143.3111.8179.3-163.8-83.9000109.9L34 R35 R40 V41 R85L34-D38 CarbonylContact O-C 3.57Å; L34-D38 WeakPolarHBondContact O-CA 3.25Å; L34-D38 PolarHBondContact O-N 3.33Å; R35-D38 WeakPolarHBondContact CA-O 3.27Å; D38-R40 PolarHBondContact O-N 3.07Å; D38-V41 HydrophobicContact CB-CG1 4.39Å; D38-R85 IonicContact OD1-CZ 3.98Å; D38-R85 IonicContact OD1-NH1 2.81Å; D38-R85 PolarHBondContact OD1-NH1 2.91Å; D38-R85 IonicContact OD1-NH2 3.86Å
39A65.8Low83.4Confident91 Ų9176 Ų7675%0.75235%0.353SS*.THydrogen-bonded Turntrans-63.8-1.7-163.600000116.4
40R75.5Confident83.3Confident202 Ų20275.4 Ų75.476%0.76235%0.351SS*.THydrogen-bonded Turntrans-137.625.4-167.7-66.1-170.3176.5177.1-0.2117D38 T42 R85D38-R40 PolarHBondContact O-N 3.07Å; R40-T42 PolarHBondContact O-N 3.38Å; R40-R85 PolarHBondContact O-NH2 2.78Å
41V81.8Confident83.3Confident4 Ų484.3 Ų84.32%0.02439%0.385CS..  trans-70.7132.7177.4-55.40000112.6K31 L34 R35 D38 V46 F81K31-V41 HydrophobicContact CG-CG2 4.35Å; L34-V41 HydrophobicContact CB-CB 4.24Å; L34-V41 HydrophobicContact CB-CG1 3.85Å; L34-V41 HydrophobicContact CB-CG2 3.61Å; L34-V41 HydrophobicContact CD1-CG1 4.42Å; R35-V41 HydrophobicContact CG-CG2 3.69Å; D38-V41 HydrophobicContact CB-CG1 4.39Å; V41-V46 HydrophobicContact CB-CG2 4.36Å; V41-V46 HydrophobicContact CG2-CG2 4.22Å; V41-F81 HydrophobicContact CB-CE1 4.47Å; V41-F81 HydrophobicContact CB-CZ 3.89Å; V41-F81 HydrophobicContact CG1-CE1 3.41Å; V41-F81 VanDerWaalsContact CG1-CE1 3.41Å; V41-F81 HydrophobicContact CG1-CE2 4.43Å; V41-F81 HydrophobicContact CG1-CZ 3.28Å
42T86.2Confident83.2Confident68 Ų6886.9 Ų86.942%0.41740%0.396SS..  trans-94.2156.2178.7650000111R40 R44 E45 V46R40-T42 PolarHBondContact O-N 3.38Å; T42-R44 PolarHBondContact O-N 3.39Å; T42-E45 WeakPolarHBondContact CB-OE2 3.22Å; T42-E45 PolarHBondContact N-OE2 2.96Å; T42-E45 PolarHBondContact O-N 3.03Å; T42-E45 VanDerWaalsContact OG1-CD 3.31Å; T42-E45 VanDerWaalsContact OG1-CG 3.28Å; T42-E45 WeakPolarHBondContact OG1-CG 3.46Å; T42-E45 PolarHBondContact OG1-N 2.84Å; T42-E45 PolarHBondContact OG1-OE2 3.23Å; T42-V46 WeakPolarHBondContact O-CG2 3.43Å; T42-V46 PolarHBondContact O-N 2.84Å; T42-V46 VanDerWaalsContact O-N 3.16Å
43N87.3Confident83.1Confident96 Ų9681.6 Ų81.651%0.51338%0.375SS..Hα-helixtrans-56.3-33.3175.5-73.5-13.9000112.4K31 K47K31-N43 VanDerWaalsContact CD-OD1 3.27Å; K31-N43 WeakPolarHBondContact CD-OD1 3.23Å; K31-N43 WeakPolarHBondContact CE-OD1 3.34Å; K31-N43 PolarHBondContact NZ-OD1 3.38Å; N43-K47 WeakPolarHBondContact O-CB 3.17Å; N43-K47 VanDerWaalsContact O-CG 3.27Å; N43-K47 WeakPolarHBondContact O-CG 3.48Å; N43-K47 PolarHBondContact O-N 3.41Å
44R88.1Confident83.3Confident195 Ų19581 Ų8174%0.73637%0.373SS*.Hα-helixtrans-67-49.4179.9-169.7179.174.5-174.35110.8T42 V46 K47 E48T42-R44 PolarHBondContact O-N 3.39Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 3.1Å; R44-K47 PolarHBondContact O-N 3.18Å; R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 WeakPolarHBondContact O-CB 3.47Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 2.68Å
45E87.2Confident83.4Confident22 Ų2286.2 Ų86.210%0.10340%0.398CS..Hα-helixtrans-60-41.7178.9-67.9162.7131.900111.8T42 E48 F49 F81 I84 R85T42-E45 WeakPolarHBondContact CB-OE2 3.22Å; T42-E45 PolarHBondContact N-OE2 2.96Å; T42-E45 PolarHBondContact O-N 3.03Å; T42-E45 VanDerWaalsContact OG1-CD 3.31Å; T42-E45 VanDerWaalsContact OG1-CG 3.28Å; T42-E45 WeakPolarHBondContact OG1-CG 3.46Å; T42-E45 PolarHBondContact OG1-N 2.84Å; T42-E45 PolarHBondContact OG1-OE2 3.23Å; E45-E48 PolarHBondContact O-N 2.91Å; E45-F49 WeakPolarHBondContact O-CB 3.4Å; E45-F49 PolarHBondContact O-N 2.66Å; E45-F81 HydrophobicContact CB-CE2 4.32Å; E45-F81 HydrophobicContact CB-CZ 4.17Å; E45-I84 HydrophobicContact CB-CG2 4.02Å; E45-I84 HydrophobicContact CG-CG2 4.02Å; E45-R85 WeakPolarHBondContact OE1-CD 3.4Å; E45-R85 WeakPolarHBondContact OE1-CG 3.37Å; E45-R85 IonicContact OE1-CZ 3.92Å; E45-R85 IonicContact OE1-NE 2.91Å; E45-R85 PolarHBondContact OE1-NE 2.72Å; E45-R85 IonicContact OE1-NH2 3.55Å; E45-R85 IonicContact OE2-NH2 3.76Å
46V87.9Confident83.6Confident2 Ų282.9 Ų82.91%0.01240%0.397CS..Hα-helixtrans-65.3-44.2177.8178.30000111.4A27 L30 K31 L34 V41 T42 R44 F49 I50A27-V46 HydrophobicContact CB-CG1 4.26Å; A27-V46 WeakPolarHBondContact O-CG1 3.35Å; L30-V46 HydrophobicContact CB-CG1 4.27Å; L30-V46 HydrophobicContact CD2-CG1 3.94Å; L30-V46 HydrophobicContact CG-CG1 4.2Å; K31-V46 HydrophobicContact CB-CG1 4.14Å; K31-V46 HydrophobicContact CB-CG2 3.91Å; K31-V46 HydrophobicContact CG-CG2 4.16Å; L34-V46 HydrophobicContact CD1-CG2 4.04Å; V41-V46 HydrophobicContact CB-CG2 4.36Å; V41-V46 HydrophobicContact CG2-CG2 4.22Å; T42-V46 WeakPolarHBondContact O-CG2 3.43Å; T42-V46 PolarHBondContact O-N 2.84Å; T42-V46 VanDerWaalsContact O-N 3.16Å; R44-V46 VanDerWaalsContact C-N 3.3Å; R44-V46 PolarHBondContact O-N 3.1Å; V46-F49 PolarHBondContact O-N 3.01Å; V46-I50 HydrophobicContact CG1-CD1 4.08Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 2.86Å
47K88.7Confident83.8Confident141 Ų14180.2 Ų80.261%0.61340%0.398SS*.Hα-helixtrans-63.3-42.8176.7-77.8-178.5177.4-167.40112N43 R44 F49 I50 R51N43-K47 WeakPolarHBondContact O-CB 3.17Å; N43-K47 VanDerWaalsContact O-CG 3.27Å; N43-K47 WeakPolarHBondContact O-CG 3.48Å; N43-K47 PolarHBondContact O-N 3.41Å; R44-K47 PolarHBondContact O-N 3.18Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å; K47-I50 PolarHBondContact O-N 3.21Å; K47-R51 VanDerWaalsContact O-CB 3.24Å; K47-R51 WeakPolarHBondContact O-CB 3.34Å; K47-R51 PolarHBondContact O-N 3.49Å
48E87.9Confident84.4Confident80 Ų8077.5 Ų77.537%0.37439%0.388SS..Hα-helixtrans-64.4-37.6176.3-72-64.2116.300111.6R44 E45 R51 K52 I84R44-E48 HydrophobicContact CG-CG 4.48Å; R44-E48 WeakPolarHBondContact O-CB 3.47Å; R44-E48 WeakPolarHBondContact O-CG 3.47Å; R44-E48 PolarHBondContact O-N 2.68Å; E45-E48 PolarHBondContact O-N 2.91Å; E48-R51 IonicContact OE1-NH1 3.64Å; E48-K52 WeakPolarHBondContact O-CG 3.39Å; E48-K52 PolarHBondContact O-N 3.08Å; E48-I84 HydrophobicContact CB-CG2 4.26Å
49F84.9Confident85.3Confident1 Ų176.2 Ų76.20%0.00439%0.391CS..Hα-helixtrans-65.1-47175.1-171.1-97000111.7L30 E45 V46 K47 K52 L53 F77 D80 F81 I84L30-F49 HydrophobicContact CD1-CE1 4.38Å; L30-F49 HydrophobicContact CD2-CD1 3.43Å; L30-F49 VanDerWaalsContact CD2-CD1 3.43Å; L30-F49 HydrophobicContact CD2-CE1 4.01Å; L30-F49 HydrophobicContact CD2-CG 4.36Å; E45-F49 WeakPolarHBondContact O-CB 3.4Å; E45-F49 PolarHBondContact O-N 2.66Å; V46-F49 PolarHBondContact O-N 3.01Å; K47-F49 VanDerWaalsContact C-N 3.31Å; K47-F49 PolarHBondContact O-N 3.2Å; F49-K52 WeakPolarHBondContact O-CB 3.44Å; F49-K52 PolarHBondContact O-N 3.15Å; F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CE1-CD1 3.25Å; F49-L53 HydrophobicContact CE1-CG 4.41Å; F49-L53 HydrophobicContact CE2-CD1 4.42Å; F49-L53 HydrophobicContact CZ-CD1 3.63Å; F49-L53 PolarHBondContact O-N 2.92Å; F49-F77 HydrophobicContact CE1-CD2 4.11Å; F49-F77 AromaticContact CE1-CE2 3.59Å; F49-F77 HydrophobicContact CE1-CE2 3.59Å; F49-F77 HydrophobicContact CE1-CZ 4.34Å; F49-F77 AromaticContact CZ-CD2 3.68Å; F49-F77 HydrophobicContact CZ-CD2 3.68Å; F49-F77 AromaticContact CZ-CE2 3.59Å; F49-F77 HydrophobicContact CZ-CE2 3.59Å; F49-F77 HydrophobicContact CZ-CZ 4.37Å; F49-D80 HydrophobicContact CE2-CB 4Å; F49-F81 HydrophobicContact CB-CD2 4.26Å; F49-F81 HydrophobicContact CB-CE2 4.5Å; F49-F81 HydrophobicContact CD2-CB 4.15Å; F49-F81 AromaticContact CD2-CD2 3.78Å; F49-F81 HydrophobicContact CD2-CD2 3.78Å; F49-F81 HydrophobicContact CD2-CG 4.49Å; F49-F81 HydrophobicContact CE2-CB 3.93Å; F49-F81 HydrophobicContact CE2-CD2 4.28Å; F49-F81 HydrophobicContact CG-CD2 4.03Å; F49-I84 VanDerWaalsContact CA-CD1 3.44Å; F49-I84 HydrophobicContact CB-CD1 3.44Å; F49-I84 VanDerWaalsContact CB-CD1 3.44Å; F49-I84 HydrophobicContact CD2-CD1 3.58Å; F49-I84 HydrophobicContact CG-CD1 3.99Å
50I88.1Confident86.5Confident7 Ų774.2 Ų74.24%0.03637%0.366CS..Hα-helixtrans-61.4-49.3177.4-73.8172.3000110.1A27 L30 V46 K47 K52 L53 D54 I61A27-I50 HydrophobicContact CB-CD1 3.4Å; A27-I50 VanDerWaalsContact CB-CD1 3.4Å; L30-I50 HydrophobicContact CB-CD1 4.49Å; L30-I50 HydrophobicContact CD2-CD1 3.94Å; L30-I50 HydrophobicContact CD2-CG1 3.64Å; V46-I50 HydrophobicContact CG1-CD1 4.08Å; V46-I50 WeakPolarHBondContact O-CG1 3.49Å; V46-I50 PolarHBondContact O-N 2.86Å; K47-I50 PolarHBondContact O-N 3.21Å; I50-K52 PolarHBondContact O-N 3.34Å; I50-L53 CarbonylContact O-C 3.54Å; I50-L53 PolarHBondContact O-N 3.08Å; I50-D54 HydrophobicContact CG2-CB 3.86Å; I50-D54 WeakPolarHBondContact O-CB 3.47Å; I50-D54 PolarHBondContact O-N 3.05Å; I50-I61 HydrophobicContact CG1-CD1 3.85Å; I50-I61 HydrophobicContact CG1-CG1 4.25Å; I50-I61 HydrophobicContact CG2-CG1 4.32Å
51R88.1Confident87.1Confident186 Ų18664.8 Ų64.870%0.70233%0.331SS*.Hα-helixtrans-56.8-25.6179.2-173.5-180175.5-161.2-0.8113.7K47 E48K47-R51 VanDerWaalsContact O-CB 3.24Å; K47-R51 WeakPolarHBondContact O-CB 3.34Å; K47-R51 PolarHBondContact O-N 3.49Å; E48-R51 IonicContact OE1-NH1 3.64Å
52K84.7Confident87.6Confident103 Ų10365.5 Ų65.545%0.44834%0.336SS..Hα-helixtrans-78.1-23.6175-76.1177179.2-174.70113.7E48 F49 I50E48-K52 WeakPolarHBondContact O-CG 3.39Å; E48-K52 PolarHBondContact O-N 3.08Å; F49-K52 WeakPolarHBondContact O-CB 3.44Å; F49-K52 PolarHBondContact O-N 3.15Å; I50-K52 PolarHBondContact O-N 3.34Å
53L85.1Confident87.7Confident2 Ų264 Ų641%0.0133%0.325CS..Hα-helixtrans-106.9-32.2-175.9-62.7178.9000112.9F49 I50 E55 I61 A69 F70F49-L53 HydrophobicContact CD1-CD1 3.79Å; F49-L53 HydrophobicContact CE1-CD1 3.25Å; F49-L53 HydrophobicContact CE1-CG 4.41Å; F49-L53 HydrophobicContact CE2-CD1 4.42Å; F49-L53 HydrophobicContact CZ-CD1 3.63Å; F49-L53 PolarHBondContact O-N 2.92Å; I50-L53 CarbonylContact O-C 3.54Å; I50-L53 PolarHBondContact O-N 3.08Å; L53-E55 PolarHBondContact O-N 2.86Å; L53-E55 VanDerWaalsContact O-N 3.08Å; L53-I61 HydrophobicContact CB-CD1 3.94Å; L53-I61 HydrophobicContact CB-CG1 4.13Å; L53-I61 HydrophobicContact CD1-CD1 3.69Å; L53-I61 HydrophobicContact CG-CD1 4.44Å; L53-A69 HydrophobicContact CD2-CB 3.51Å; L53-F70 HydrophobicContact CD1-CE2 4.31Å; L53-F70 HydrophobicContact CD1-CZ 4.46Å; L53-F70 HydrophobicContact CD2-CE2 4.41Å
54D88.7Confident87.7Confident21 Ų2166 Ų6611%0.11233%0.331CS..  trans-73.489.9176.8177.416.4000109I50 S56 G57 D58 G59I50-D54 HydrophobicContact CG2-CB 3.86Å; I50-D54 WeakPolarHBondContact O-CB 3.47Å; I50-D54 PolarHBondContact O-N 3.05Å; D54-S56 VanDerWaalsContact C-N 3.34Å; D54-S56 PolarHBondContact OD1-N 2.87Å; D54-S56 PolarHBondContact OD1-OG 3.45Å; D54-G57 WeakPolarHBondContact OD1-CA 3.49Å; D54-G57 PolarHBondContact OD1-N 3.49Å; D54-G57 WeakPolarHBondContact OD2-CA 3.41Å; D54-D58 PolarHBondContact OD1-N 2.92Å; D54-D58 PolarHBondContact OD2-N 3.01Å; D54-G59 WeakPolarHBondContact OD2-CA 3.34Å; D54-G59 PolarHBondContact OD2-N 3.46Å
55E85.6Confident87.8Confident121 Ų12157.4 Ų57.457%0.56530%0.299SS*.SBendtrans-77.8-25.3173.8-72.5-173.987.400111.1L53 E65 K68L53-E55 PolarHBondContact O-N 2.86Å; L53-E55 VanDerWaalsContact O-N 3.08Å; E55-E65 PolarHBondContact N-OE1 3.36Å; E55-E65 VanDerWaalsContact N-OE1 3.16Å; E55-K68 IonicContact OE1-NZ 2.8Å; E55-K68 PolarHBondContact OE1-NZ 2.94Å; E55-K68 VanDerWaalsContact OE2-CD 3.27Å; E55-K68 WeakPolarHBondContact OE2-CD 3.34Å; E55-K68 VanDerWaalsContact OE2-CE 3.3Å; E55-K68 WeakPolarHBondContact OE2-CE 3.48Å; E55-K68 IonicContact OE2-NZ 2.76Å; E55-K68 PolarHBondContact OE2-NZ 2.86Å
56S88.8Confident87.7Confident75 Ų7556.4 Ų56.452%0.52430%0.295SS..SBendtrans-75.2-26.4-18075.90000113.3D54 D58 E65D54-S56 VanDerWaalsContact C-N 3.34Å; D54-S56 PolarHBondContact OD1-N 2.87Å; D54-S56 PolarHBondContact OD1-OG 3.45Å; S56-D58 VanDerWaalsContact C-N 3.35Å; S56-D58 PolarHBondContact OG-N 3.3Å; S56-D58 PolarHBondContact OG-OD1 2.91Å; S56-E65 WeakPolarHBondContact CB-OE1 3.49Å; S56-E65 PolarHBondContact N-OE1 2.9Å; S56-E65 PolarHBondContact OG-OE1 3.39Å; S56-E65 VanDerWaalsContact OG-OE1 3.08Å
57G86.4Confident87.5Confident64 Ų6458.2 Ų58.266%0.6630%0.304SS*.  trans74.920.6-17700000113.9D54 G59D54-G57 WeakPolarHBondContact OD1-CA 3.49Å; D54-G57 PolarHBondContact OD1-N 3.49Å; D54-G57 WeakPolarHBondContact OD2-CA 3.41Å; G57-G59 VanDerWaalsContact C-N 3.34Å
58D87.8Confident87.3Confident78 Ų7856.4 Ų56.442%0.41730%0.295SS..SBendtrans-86.2-6.5-17975-5.5000113.2D54 S56 Q60D54-D58 PolarHBondContact OD1-N 2.92Å; D54-D58 PolarHBondContact OD2-N 3.01Å; S56-D58 VanDerWaalsContact C-N 3.35Å; S56-D58 PolarHBondContact OG-N 3.3Å; S56-D58 PolarHBondContact OG-OD1 2.91Å; D58-Q60 HydrophobicContact CB-CG 4.36Å; D58-Q60 WeakPolarHBondContact OD1-CG 3.27Å; D58-Q60 PolarHBondContact OD1-N 3.2Å; D58-Q60 WeakPolarHBondContact OD2-CG 3.24Å; D58-Q60 PolarHBondContact OD2-NE2 3.1Å
59G86.6Confident87Confident41 Ų4153.5 Ų53.542%0.42329%0.285SS..SBendtrans82.410.817900000114.5D54 G57D54-G59 WeakPolarHBondContact OD2-CA 3.34Å; D54-G59 PolarHBondContact OD2-N 3.46Å; G57-G59 VanDerWaalsContact C-N 3.34Å
60Q90.2Very high86.6Confident50 Ų5053.8 Ų53.823%0.23429%0.287CS..EExtended strand (participates in β ladder)trans-133.2164.5175.152.2-176.639.500109.3Y24 V25 T26 D58Y24-Q60 HydrophobicContact CD1-CG 4.2Å; V25-Q60 WeakPolarHBondContact O-CA 3.41Å; T26-Q60 HydrophobicContact CG2-CB 4.28Å; D58-Q60 HydrophobicContact CB-CG 4.36Å; D58-Q60 WeakPolarHBondContact OD1-CG 3.27Å; D58-Q60 PolarHBondContact OD1-N 3.2Å; D58-Q60 WeakPolarHBondContact OD2-CG 3.24Å; D58-Q60 PolarHBondContact OD2-NE2 3.1Å
61I90Very high86Confident4 Ų457.4 Ų57.42%0.02131%0.312CS..EExtended strand (participates in β ladder)trans-112.7114.6179-58.8165.1000107.2F14 Y24 V25 I50 L53 E65 F66F14-I61 VanDerWaalsContact CE2-O 3.25Å; F14-I61 WeakPolarHBondContact CE2-O 3.38Å; F14-I61 VanDerWaalsContact CZ-O 3.31Å; F14-I61 WeakPolarHBondContact CZ-O 3.36Å; Y24-I61 WeakPolarHBondContact CA-O 3.26Å; V25-I61 PolarHBondContact N-O 2.81Å; V25-I61 PolarHBondContact O-N 2.99Å; I50-I61 HydrophobicContact CG1-CD1 3.85Å; I50-I61 HydrophobicContact CG1-CG1 4.25Å; I50-I61 HydrophobicContact CG2-CG1 4.32Å; L53-I61 HydrophobicContact CB-CD1 3.94Å; L53-I61 HydrophobicContact CB-CG1 4.13Å; L53-I61 HydrophobicContact CD1-CD1 3.69Å; L53-I61 HydrophobicContact CG-CD1 4.44Å; I61-E65 HydrophobicContact CG2-CB 4.31Å; I61-F66 HydrophobicContact CG2-CB 3.91Å; I61-F66 HydrophobicContact CG2-CD2 4.38Å
62S91.6Very high85.1Confident19 Ų1953.2 Ų53.213%0.13331%0.312CS..EExtended strand (participates in β ladder)trans-74156.2171.165.10000111.5H64 E65 F66S62-H64 PolarHBondContact O-N 3.04Å; S62-H64 VanDerWaalsContact O-N 3.17Å; S62-E65 WeakPolarHBondContact CB-OE2 3.49Å; S62-E65 PolarHBondContact N-OE2 2.84Å; S62-E65 PolarHBondContact O-N 3.04Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 WeakPolarHBondContact OG-CB 3.4Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.24Å; S62-E65 PolarHBondContact OG-N 2.98Å; S62-E65 PolarHBondContact OG-OE2 3.37Å; S62-F66 WeakPolarHBondContact O-CB 3.05Å; S62-F66 PolarHBondContact O-N 3.32Å
63L87.7Confident84Confident36 Ų3652.8 Ų52.819%0.18831%0.311CS..Hα-helixtrans-53.9-36.3172.9-179.867.3000111.6R11 F14 G23 M67R11-L63 HydrophobicContact CG-CD1 3.94Å; R11-L63 HydrophobicContact CG-CD2 3.96Å; F14-L63 HydrophobicContact CB-CD1 3.83Å; F14-L63 HydrophobicContact CD1-CB 4.5Å; F14-L63 HydrophobicContact CD1-CD1 4.25Å; F14-L63 HydrophobicContact CD2-CB 4.47Å; F14-L63 HydrophobicContact CD2-CD1 4.1Å; F14-L63 HydrophobicContact CE1-CB 4.38Å; F14-L63 HydrophobicContact CE2-CB 4.33Å; F14-L63 HydrophobicContact CG-CD1 3.79Å; F14-L63 HydrophobicContact CZ-CB 4.27Å; G23-L63 PolarHBondContact O-N 2.72Å; L63-M67 HydrophobicContact CD1-CG 4.31Å; L63-M67 HydrophobicContact CD1-SD 4.27Å; L63-M67 HydrophobicContact CD2-SD 4.37Å; L63-M67 HydrophobicContact CG-CG 4.39Å; L63-M67 HydrophobicContact CG-SD 3.92Å; L63-M67 VanDerWaalsContact O-CB 3.32Å; L63-M67 WeakPolarHBondContact O-CB 3.39Å; L63-M67 WeakPolarHBondContact O-CG 3.35Å; L63-M67 PolarHBondContact O-N 3.08Å
64H88Confident82.8Confident138 Ų13860.9 Ų60.964%0.63934%0.342SS*.Hα-helixtrans-67.2-45.2179.1-168.389.1000112.3S62 M67 K68S62-H64 PolarHBondContact O-N 3.04Å; S62-H64 VanDerWaalsContact O-N 3.17Å; H64-M67 PolarHBondContact O-N 3.47Å; H64-K68 VanDerWaalsContact O-CB 3.26Å; H64-K68 WeakPolarHBondContact O-CB 3.3Å; H64-K68 PolarHBondContact O-N 3.11Å
65E89.1Confident81.7Confident14 Ų1464.2 Ų64.27%0.06535%0.353CS..Hα-helixtrans-64.8-42.4176.2-73.2164.4129.500111.5E55 S56 I61 S62 K68 A69E55-E65 PolarHBondContact N-OE1 3.36Å; E55-E65 VanDerWaalsContact N-OE1 3.16Å; S56-E65 WeakPolarHBondContact CB-OE1 3.49Å; S56-E65 PolarHBondContact N-OE1 2.9Å; S56-E65 PolarHBondContact OG-OE1 3.39Å; S56-E65 VanDerWaalsContact OG-OE1 3.08Å; I61-E65 HydrophobicContact CG2-CB 4.31Å; S62-E65 WeakPolarHBondContact CB-OE2 3.49Å; S62-E65 PolarHBondContact N-OE2 2.84Å; S62-E65 PolarHBondContact O-N 3.04Å; S62-E65 VanDerWaalsContact O-N 3.17Å; S62-E65 WeakPolarHBondContact OG-CB 3.4Å; S62-E65 VanDerWaalsContact OG-CG 3.27Å; S62-E65 WeakPolarHBondContact OG-CG 3.24Å; S62-E65 PolarHBondContact OG-N 2.98Å; S62-E65 PolarHBondContact OG-OE2 3.37Å; E65-K68 PolarHBondContact O-N 3.11Å; E65-A69 VanDerWaalsContact O-CB 3.27Å; E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.38Å
66F84.8Confident80.8Confident2 Ų260.7 Ų60.71%0.00934%0.341CS..Hα-helixtrans-56.8-54.1173.2-170.5-90.8000109.9M10 I13 F14 M17 I61 S62 K68 A69 F70 F77M10-F66 HydrophobicContact CB-CD1 4.01Å; M10-F66 HydrophobicContact CB-CE1 3.82Å; M10-F66 HydrophobicContact CG-CD1 4.36Å; M10-F66 HydrophobicContact CG-CE1 4.01Å; M10-F66 HydrophobicContact SD-CD1 4.47Å; I13-F66 HydrophobicContact CG2-CZ 3.91Å; F14-F66 HydrophobicContact CD2-CB 4.11Å; F14-F66 HydrophobicContact CD2-CD2 4.45Å; F14-F66 HydrophobicContact CD2-CG 4.15Å; F14-F66 HydrophobicContact CE2-CB 4.37Å; M17-F66 HydrophobicContact CE-CD2 4.33Å; M17-F66 HydrophobicContact CE-CE2 3.73Å; M17-F66 HydrophobicContact CE-CZ 4.2Å; I61-F66 HydrophobicContact CG2-CB 3.91Å; I61-F66 HydrophobicContact CG2-CD2 4.38Å; S62-F66 WeakPolarHBondContact O-CB 3.05Å; S62-F66 PolarHBondContact O-N 3.32Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.31Å; F66-A69 PolarHBondContact O-N 3.25Å; F66-F70 AromaticContact CD1-CD2 3.62Å; F66-F70 HydrophobicContact CD1-CD2 3.62Å; F66-F70 HydrophobicContact CD1-CE2 4.16Å; F66-F70 AromaticContact CD2-CD2 3.68Å; F66-F70 HydrophobicContact CD2-CD2 3.68Å; F66-F70 AromaticContact CD2-CE2 3.35Å; F66-F70 HydrophobicContact CD2-CE2 3.35Å; F66-F70 AromaticContact CE1-CD2 3.5Å; F66-F70 HydrophobicContact CE1-CD2 3.5Å; F66-F70 AromaticContact CE1-CE2 3.94Å; F66-F70 HydrophobicContact CE1-CE2 3.94Å; F66-F70 HydrophobicContact CE1-CG 4.3Å; F66-F70 AromaticContact CE2-CD2 3.58Å; F66-F70 HydrophobicContact CE2-CD2 3.58Å; F66-F70 AromaticContact CE2-CE2 3.09Å; F66-F70 HydrophobicContact CE2-CE2 3.09Å; F66-F70 AromaticContact CE2-CZ 3.94Å; F66-F70 HydrophobicContact CE2-CZ 3.94Å; F66-F70 AromaticContact CG-CD2 3.69Å; F66-F70 HydrophobicContact CG-CD2 3.69Å; F66-F70 AromaticContact CG-CE2 3.88Å; F66-F70 HydrophobicContact CG-CE2 3.88Å; F66-F70 AromaticContact CZ-CD2 3.48Å; F66-F70 HydrophobicContact CZ-CD2 3.48Å; F66-F70 VanDerWaalsContact CZ-CD2 3.48Å; F66-F70 AromaticContact CZ-CE2 3.4Å; F66-F70 HydrophobicContact CZ-CE2 3.4Å; F66-F70 VanDerWaalsContact CZ-CE2 3.4Å; F66-F70 HydrophobicContact CZ-CG 4.39Å; F66-F70 HydrophobicContact CZ-CZ 4.17Å; F66-F70 WeakPolarHBondContact O-CD2 3.25Å; F66-F70 PolarHBondContact O-N 3.37Å; F66-F77 AromaticContact CE2-CD2 4Å; F66-F77 HydrophobicContact CE2-CD2 4Å; F66-F77 HydrophobicContact CE2-CE2 4.38Å; F66-F77 HydrophobicContact CZ-CD2 4.41Å
67M84.5Confident79.9Confident40 Ų4058.2 Ų58.220%0.19732%0.321CS..Hα-helixtrans-58.5-43.3179.1-74.9175.461.500112.5E7 M10 L63 H64 F70 S71E7-M67 HydrophobicContact CB-CE 4.06Å; E7-M67 VanDerWaalsContact CD-CE 3.47Å; E7-M67 HydrophobicContact CG-CE 3.47Å; E7-M67 VanDerWaalsContact CG-CE 3.47Å; E7-M67 HydrophobicContact CG-SD 4.02Å; E7-M67 WeakPolarHBondContact OE2-CE 3.29Å; M10-M67 HydrophobicContact CB-CG 4.36Å; M10-M67 HydrophobicContact SD-CB 4.16Å; M10-M67 HydrophobicContact SD-CG 3.88Å; L63-M67 HydrophobicContact CD1-CG 4.31Å; L63-M67 HydrophobicContact CD1-SD 4.27Å; L63-M67 HydrophobicContact CD2-SD 4.37Å; L63-M67 HydrophobicContact CG-CG 4.39Å; L63-M67 HydrophobicContact CG-SD 3.92Å; L63-M67 VanDerWaalsContact O-CB 3.32Å; L63-M67 WeakPolarHBondContact O-CB 3.39Å; L63-M67 WeakPolarHBondContact O-CG 3.35Å; L63-M67 PolarHBondContact O-N 3.08Å; H64-M67 PolarHBondContact O-N 3.47Å; M67-F70 PolarHBondContact O-N 3.39Å; M67-S71 WeakPolarHBondContact O-CA 3.27Å; M67-S71 WeakPolarHBondContact O-CB 3.4Å; M67-S71 PolarHBondContact O-N 2.67Å
68K85Confident79Confident102 Ų10259.3 Ų59.344%0.44332%0.315SS..Hα-helixtrans-64.2-44.4179.1-173.5175.3169.4-144.20111.6E55 H64 E65 F66 S72E55-K68 IonicContact OE1-NZ 2.8Å; E55-K68 PolarHBondContact OE1-NZ 2.94Å; E55-K68 VanDerWaalsContact OE2-CD 3.27Å; E55-K68 WeakPolarHBondContact OE2-CD 3.34Å; E55-K68 VanDerWaalsContact OE2-CE 3.3Å; E55-K68 WeakPolarHBondContact OE2-CE 3.48Å; E55-K68 IonicContact OE2-NZ 2.76Å; E55-K68 PolarHBondContact OE2-NZ 2.86Å; H64-K68 VanDerWaalsContact O-CB 3.26Å; H64-K68 WeakPolarHBondContact O-CB 3.3Å; H64-K68 PolarHBondContact O-N 3.11Å; E65-K68 PolarHBondContact O-N 3.11Å; F66-K68 VanDerWaalsContact C-N 3.32Å; F66-K68 PolarHBondContact O-N 3.31Å; K68-S72 VanDerWaalsContact O-CB 3.27Å; K68-S72 WeakPolarHBondContact O-CB 3.4Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 VanDerWaalsContact O-N 3.08Å
69A81.2Confident78Confident19 Ų1959.2 Ų59.216%0.15732%0.318CS..Hα-helixtrans-64.1-41.1178.200000112.6L53 E65 F66L53-A69 HydrophobicContact CD2-CB 3.51Å; E65-A69 VanDerWaalsContact O-CB 3.27Å; E65-A69 WeakPolarHBondContact O-CB 3.23Å; E65-A69 PolarHBondContact O-N 3.38Å; F66-A69 PolarHBondContact O-N 3.25Å
70F76.8Confident77.3Confident8 Ų858 Ų584%0.03530%0.301CS..Hα-helixtrans-88.3-19.7-178.1-70.3-69.8000114.2M10 L53 F66 M67 Q73 R75 F77M10-F70 HydrophobicContact CE-CB 3.57Å; M10-F70 HydrophobicContact SD-CB 3.83Å; L53-F70 HydrophobicContact CD1-CE2 4.31Å; L53-F70 HydrophobicContact CD1-CZ 4.46Å; L53-F70 HydrophobicContact CD2-CE2 4.41Å; F66-F70 AromaticContact CD1-CD2 3.62Å; F66-F70 HydrophobicContact CD1-CD2 3.62Å; F66-F70 HydrophobicContact CD1-CE2 4.16Å; F66-F70 AromaticContact CD2-CD2 3.68Å; F66-F70 HydrophobicContact CD2-CD2 3.68Å; F66-F70 AromaticContact CD2-CE2 3.35Å; F66-F70 HydrophobicContact CD2-CE2 3.35Å; F66-F70 AromaticContact CE1-CD2 3.5Å; F66-F70 HydrophobicContact CE1-CD2 3.5Å; F66-F70 AromaticContact CE1-CE2 3.94Å; F66-F70 HydrophobicContact CE1-CE2 3.94Å; F66-F70 HydrophobicContact CE1-CG 4.3Å; F66-F70 AromaticContact CE2-CD2 3.58Å; F66-F70 HydrophobicContact CE2-CD2 3.58Å; F66-F70 AromaticContact CE2-CE2 3.09Å; F66-F70 HydrophobicContact CE2-CE2 3.09Å; F66-F70 AromaticContact CE2-CZ 3.94Å; F66-F70 HydrophobicContact CE2-CZ 3.94Å; F66-F70 AromaticContact CG-CD2 3.69Å; F66-F70 HydrophobicContact CG-CD2 3.69Å; F66-F70 AromaticContact CG-CE2 3.88Å; F66-F70 HydrophobicContact CG-CE2 3.88Å; F66-F70 AromaticContact CZ-CD2 3.48Å; F66-F70 HydrophobicContact CZ-CD2 3.48Å; F66-F70 VanDerWaalsContact CZ-CD2 3.48Å; F66-F70 AromaticContact CZ-CE2 3.4Å; F66-F70 HydrophobicContact CZ-CE2 3.4Å; F66-F70 VanDerWaalsContact CZ-CE2 3.4Å; F66-F70 HydrophobicContact CZ-CG 4.39Å; F66-F70 HydrophobicContact CZ-CZ 4.17Å; F66-F70 WeakPolarHBondContact O-CD2 3.25Å; F66-F70 PolarHBondContact O-N 3.37Å; M67-F70 PolarHBondContact O-N 3.39Å; F70-Q73 CarbonylContact C-O 3.57Å; F70-Q73 VanDerWaalsContact O-O 3.05Å; F70-R75 HydrophobicContact CD1-CB 4.04Å; F70-R75 WeakPolarHBondContact CD1-O 3.14Å; F70-R75 HydrophobicContact CE1-CB 4.03Å; F70-F77 HydrophobicContact CE1-CB 4.14Å; F70-F77 HydrophobicContact CZ-CB 4.1Å; F70-F77 AromaticContact CZ-CD2 3.99Å; F70-F77 HydrophobicContact CZ-CD2 3.99Å
71S76.3Confident76.2Confident82 Ų8256.2 Ų56.257%0.57329%0.293SS*.Hα-helixtrans-81.2-43.2174.9-1780000111.2M67M67-S71 WeakPolarHBondContact O-CA 3.27Å; M67-S71 WeakPolarHBondContact O-CB 3.4Å; M67-S71 PolarHBondContact O-N 2.67Å
72S68.1Low75.1Confident99 Ų9965.1 Ų65.169%0.69233%0.326SS*.Hα-helixtrans-75.3-28.4-176.7-171.20000112.8K68K68-S72 VanDerWaalsContact O-CB 3.27Å; K68-S72 WeakPolarHBondContact O-CB 3.4Å; K68-S72 PolarHBondContact O-N 3.16Å; K68-S72 VanDerWaalsContact O-N 3.08Å
73Q60.9Low74.1Confident93 Ų9367.8 Ų67.844%0.43534%0.342SS..SBendtrans-129.3128.6-177.2-61.3-175.9-14.700108F70 R75F70-Q73 CarbonylContact C-O 3.57Å; F70-Q73 VanDerWaalsContact O-O 3.05Å; Q73-R75 HydrophobicContact CB-CG 3.81Å; Q73-R75 PolarHBondContact O-N 3.24Å
74R60.3Low73.2Confident173 Ų17367.5 Ų67.565%0.65334%0.34SS*.  trans-65.255.5176-70.1175.372173.66.1111.4D2 Q4D2-R74 PolarHBondContact O-NH2 3.16Å; D2-R74 IonicContact OD2-NH2 3.62Å; Q4-R74 HydrophobicContact CG-CG 4.34Å
75R65.8Low72Confident91 Ų9166.2 Ų66.234%0.34333%0.33SS..  trans-90.5129.5-178.3-69.5-174.5178-160.213.6107.6F70 Q73 D80F70-R75 HydrophobicContact CD1-CB 4.04Å; F70-R75 WeakPolarHBondContact CD1-O 3.14Å; F70-R75 HydrophobicContact CE1-CB 4.03Å; Q73-R75 HydrophobicContact CB-CG 3.81Å; Q73-R75 PolarHBondContact O-N 3.24Å; R75-D80 WeakPolarHBondContact CD-OD2 3.42Å; R75-D80 IonicContact CZ-OD2 3.93Å; R75-D80 IonicContact NE-OD2 2.68Å; R75-D80 IonicContact NH1-OD2 3.44Å; R75-D80 PolarHBondContact NH1-OD2 3.33Å
76S67.6Low70.5Confident47 Ų4779.1 Ų79.133%0.32938%0.378SS..  trans-83.9132161.2-55.40000107.4T78 T79 D80S76-T78 PolarHBondContact O-N 3.41Å; S76-T78 VanDerWaalsContact O-N 3.15Å; S76-T79 WeakPolarHBondContact CB-OG1 3.48Å; S76-T79 PolarHBondContact O-N 3.17Å; S76-D80 PolarHBondContact O-N 3.39Å
77F68.3Low69.8Low22 Ų2283 Ų8310%0.09640%0.396CS..Hα-helixtrans-47.7-42.9174.5175.9-94.5000111.9M17 L30 F33 L34 F49 F66 F70 F81M17-F77 HydrophobicContact CE-CE2 4.29Å; M17-F77 HydrophobicContact SD-CE2 3.76Å; M17-F77 HydrophobicContact SD-CZ 3.67Å; L30-F77 HydrophobicContact CD1-CE2 3.96Å; L30-F77 HydrophobicContact CD1-CZ 3.64Å; F33-F77 HydrophobicContact CD1-CE1 4.43Å; F33-F77 HydrophobicContact CD1-CZ 4.45Å; F33-F77 HydrophobicContact CE1-CE1 4.02Å; F33-F77 HydrophobicContact CE1-CZ 4.39Å; L34-F77 HydrophobicContact CD2-CE1 4.06Å; L34-F77 HydrophobicContact CD2-CZ 4.2Å; F49-F77 HydrophobicContact CE1-CD2 4.11Å; F49-F77 AromaticContact CE1-CE2 3.59Å; F49-F77 HydrophobicContact CE1-CE2 3.59Å; F49-F77 HydrophobicContact CE1-CZ 4.34Å; F49-F77 AromaticContact CZ-CD2 3.68Å; F49-F77 HydrophobicContact CZ-CD2 3.68Å; F49-F77 AromaticContact CZ-CE2 3.59Å; F49-F77 HydrophobicContact CZ-CE2 3.59Å; F49-F77 HydrophobicContact CZ-CZ 4.37Å; F66-F77 AromaticContact CE2-CD2 4Å; F66-F77 HydrophobicContact CE2-CD2 4Å; F66-F77 HydrophobicContact CE2-CE2 4.38Å; F66-F77 HydrophobicContact CZ-CD2 4.41Å; F70-F77 HydrophobicContact CE1-CB 4.14Å; F70-F77 HydrophobicContact CZ-CB 4.1Å; F70-F77 AromaticContact CZ-CD2 3.99Å; F70-F77 HydrophobicContact CZ-CD2 3.99Å; F77-F81 WeakPolarHBondContact O-CB 3.45Å; F77-F81 PolarHBondContact O-N 3.37Å
78T67.6Low69Low87 Ų8785.3 Ų85.353%0.53441%0.407SS..Hα-helixtrans-68.5-33.8177.953.60000113.8S76 R82S76-T78 PolarHBondContact O-N 3.41Å; S76-T78 VanDerWaalsContact O-N 3.15Å; T78-R82 WeakPolarHBondContact O-CB 3.28Å; T78-R82 VanDerWaalsContact O-CG 3.25Å; T78-R82 WeakPolarHBondContact O-CG 3.45Å; T78-R82 PolarHBondContact O-N 3.3Å; T78-R82 VanDerWaalsContact O-N 3.08Å
79T67.9Low68.1Low77 Ų7784.3 Ų84.347%0.47241%0.405SS..Hα-helixtrans-74.5-42.8179.4-60.20000111.2S76 F81 R82 T83S76-T79 WeakPolarHBondContact CB-OG1 3.48Å; S76-T79 PolarHBondContact O-N 3.17Å; T79-F81 VanDerWaalsContact C-N 3.34Å; T79-R82 PolarHBondContact O-N 3.41Å; T79-T83 PolarHBondContact O-N 3.12Å; T79-T83 PolarHBondContact O-OG1 2.78Å
80D71Confident67.4Low15 Ų1588.2 Ų88.28%0.0842%0.42CS..Hα-helixtrans-65.2-42.7179.6-161.1-80.8000110.7F49 R75 S76 R82 T83F49-D80 HydrophobicContact CE2-CB 4Å; R75-D80 WeakPolarHBondContact CD-OD2 3.42Å; R75-D80 IonicContact CZ-OD2 3.93Å; R75-D80 IonicContact NE-OD2 2.68Å; R75-D80 IonicContact NH1-OD2 3.44Å; R75-D80 PolarHBondContact NH1-OD2 3.33Å; S76-D80 PolarHBondContact O-N 3.39Å; D80-R82 PolarHBondContact O-N 3.22Å; D80-T83 WeakPolarHBondContact O-CB 3.34Å; D80-T83 PolarHBondContact O-N 2.81Å; D80-T83 VanDerWaalsContact O-N 3.1Å
81F67.6Low66.8Low13 Ų1393.2 Ų93.26%0.05744%0.444CS..Hα-helixtrans-62.7-43.4174.6-168.7-98.1000112.6L34 V41 E45 F49 F77 T79 T83 I84L34-F81 HydrophobicContact CD1-CD2 3.8Å; L34-F81 HydrophobicContact CD1-CE1 4.48Å; L34-F81 HydrophobicContact CD1-CE2 3.38Å; L34-F81 HydrophobicContact CD1-CZ 3.79Å; L34-F81 HydrophobicContact CD2-CD1 4.13Å; L34-F81 HydrophobicContact CD2-CD2 4.15Å; L34-F81 HydrophobicContact CD2-CE1 4.28Å; L34-F81 HydrophobicContact CD2-CE2 4.32Å; L34-F81 HydrophobicContact CD2-CG 4.08Å; L34-F81 HydrophobicContact CD2-CZ 4.4Å; L34-F81 HydrophobicContact CG-CE2 4.48Å; V41-F81 HydrophobicContact CB-CE1 4.47Å; V41-F81 HydrophobicContact CB-CZ 3.89Å; V41-F81 HydrophobicContact CG1-CE1 3.41Å; V41-F81 VanDerWaalsContact CG1-CE1 3.41Å; V41-F81 HydrophobicContact CG1-CE2 4.43Å; V41-F81 HydrophobicContact CG1-CZ 3.28Å; E45-F81 HydrophobicContact CB-CE2 4.32Å; E45-F81 HydrophobicContact CB-CZ 4.17Å; F49-F81 HydrophobicContact CB-CD2 4.26Å; F49-F81 HydrophobicContact CB-CE2 4.5Å; F49-F81 HydrophobicContact CD2-CB 4.15Å; F49-F81 AromaticContact CD2-CD2 3.78Å; F49-F81 HydrophobicContact CD2-CD2 3.78Å; F49-F81 HydrophobicContact CD2-CG 4.49Å; F49-F81 HydrophobicContact CE2-CB 3.93Å; F49-F81 HydrophobicContact CE2-CD2 4.28Å; F49-F81 HydrophobicContact CG-CD2 4.03Å; F77-F81 WeakPolarHBondContact O-CB 3.45Å; F77-F81 PolarHBondContact O-N 3.37Å; T79-F81 VanDerWaalsContact C-N 3.34Å; F81-T83 PolarHBondContact O-N 3.48Å; F81-I84 WeakPolarHBondContact O-CB 2.92Å; F81-I84 PolarHBondContact O-N 2.81Å; F81-I84 VanDerWaalsContact O-N 3.12Å
82R68.2Low66.1Low190 Ų19093.9 Ų93.972%0.71744%0.435SS*.Hα-helixtrans-59.8-29.7174.7-81.7178179.6177.21.5113T78 T79 D80 I84 R85T78-R82 WeakPolarHBondContact O-CB 3.28Å; T78-R82 VanDerWaalsContact O-CG 3.25Å; T78-R82 WeakPolarHBondContact O-CG 3.45Å; T78-R82 PolarHBondContact O-N 3.3Å; T78-R82 VanDerWaalsContact O-N 3.08Å; T79-R82 PolarHBondContact O-N 3.41Å; D80-R82 PolarHBondContact O-N 3.22Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.46Å; R82-R85 PolarHBondContact O-N 2.74Å
83T69.4Low66Low76 Ų7693.6 Ų93.647%0.46642%0.416SS..Hα-helixtrans-70-24.4179.7-54.70000112.2T79 D80 F81 R85 R86T79-T83 PolarHBondContact O-N 3.12Å; T79-T83 PolarHBondContact O-OG1 2.78Å; D80-T83 WeakPolarHBondContact O-CB 3.34Å; D80-T83 PolarHBondContact O-N 2.81Å; D80-T83 VanDerWaalsContact O-N 3.1Å; F81-T83 PolarHBondContact O-N 3.48Å; T83-R85 VanDerWaalsContact C-N 3.26Å; T83-R85 PolarHBondContact O-N 2.72Å; T83-R86 PolarHBondContact O-N 2.7Å
84I68.6Low66.4Low30 Ų3093.6 Ų93.615%0.15442%0.415CS..Hα-helixtrans-71.4-22.4177.2-63.2175.9000112.2E45 E48 F49 F81 R82 R86E45-I84 HydrophobicContact CB-CG2 4.02Å; E45-I84 HydrophobicContact CG-CG2 4.02Å; E48-I84 HydrophobicContact CB-CG2 4.26Å; F49-I84 VanDerWaalsContact CA-CD1 3.44Å; F49-I84 HydrophobicContact CB-CD1 3.44Å; F49-I84 VanDerWaalsContact CB-CD1 3.44Å; F49-I84 HydrophobicContact CD2-CD1 3.58Å; F49-I84 HydrophobicContact CG-CD1 3.99Å; F81-I84 WeakPolarHBondContact O-CB 2.92Å; F81-I84 PolarHBondContact O-N 2.81Å; F81-I84 VanDerWaalsContact O-N 3.12Å; R82-I84 VanDerWaalsContact C-N 3.26Å; R82-I84 PolarHBondContact O-N 3.46Å; I84-R86 VanDerWaalsContact C-N 3.34Å
85R64Low66.9Low111 Ų11187 Ų8742%0.41940%0.395SS..THydrogen-bonded Turntrans-84.9-2.1177.4-88.5-169.4171.7164.36.4115.1D38 R40 E45 R82 T83D38-R85 IonicContact OD1-CZ 3.98Å; D38-R85 IonicContact OD1-NH1 2.81Å; D38-R85 PolarHBondContact OD1-NH1 2.91Å; D38-R85 IonicContact OD1-NH2 3.86Å; R40-R85 PolarHBondContact O-NH2 2.78Å; E45-R85 WeakPolarHBondContact OE1-CD 3.4Å; E45-R85 WeakPolarHBondContact OE1-CG 3.37Å; E45-R85 IonicContact OE1-CZ 3.92Å; E45-R85 IonicContact OE1-NE 2.91Å; E45-R85 PolarHBondContact OE1-NE 2.72Å; E45-R85 IonicContact OE1-NH2 3.55Å; E45-R85 IonicContact OE2-NH2 3.76Å; R82-R85 PolarHBondContact O-N 2.74Å; T83-R85 VanDerWaalsContact C-N 3.26Å; T83-R85 PolarHBondContact O-N 2.72Å
86R56.8Low67Low285 Ų28586.6 Ų86.6100%1.07540%0.4SS*.  trans-93.20-174.9-155.1178.8-172-169.51.1111.2T83 I84T83-R86 PolarHBondContact O-N 2.7Å; I84-R86 VanDerWaalsContact C-N 3.34Å

Retrieved 86 of 86 residues in 31.2 ms (Link to these results)

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