Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MKLRYLFILLIILAVTSVFIGVEDLSPLDLFDLSKQEASTLFASRLPRLISIVIAGLSMSICGLIMQQISRNKFVSPTTAGTMDWARLGILISLLLFTSASPLIKMLVAFVFALAGNFLFMKILERIKFNDTIFIPLVGLMLGNIVSSIATFIAYKYDLIQNVSSWLQGDFSLVVKGRYELLYLSIPLVII--AYVYADKFTLA--GMGESFSVNLGLKYKRVVNIGLIIVSLITSLVILTVGMLPFLGLIIPNIVSIYRGDNLKSSLPHTVLLGAVFVLFCDILG-RIIIFPYEIS--------IGLMVGII--------GSGIFLFMLLRRKAYA--------------- 4R1D Chain:B ((1-301)) MDKTGWITHCFGRFLIDLPPDAVINAGYYLWGDRIEYLDDK--PTELAARVDRLEQEWRTQRHKS---------KGNMFLRKIDFGNES-------VGLLSWSSEVASKTYLLDTYVTSKPTWHVYRWKGKVS-----------------VDREQHAVEISRALARN------------LRSRAPKEIPSEPGFCIDHAYIAGDSFQVERFGVGVTFPEHPGARFEFRSSTG----AELNSLLERVDGFVQNMLSTFAGMETLRKGKHPVGSLP-----GEEYLVAGSDKGQRGYTFMWEVQGKEESLTEPNLTAGLAVLERSNENGKPPPPAFKSDKEALELWDTIVDSIRVRPTS

General information: TITO was launched using: RESULT: Template: 4R1D.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1163 -167465 -143.99 -644.09 target 2D structure prediction score : 0.37 Monomeric hydrophicity matching model chain B : 0.61 3D Compatibility (PKB) : -143.99 2D Compatibility (Sec. Struct. Predict.) : 0.37 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.169

(partial model without unconserved sides chains): PDB file : Tito_4R1D.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4R1D-query.scw PDB file : Tito_Scwrl_4R1D.pdb: