Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MLAGCDRCRASSPPDPVNESAEFLQLLRQDGVVRTDDARLMPLTGGVSCEIYLVEDGAERFVVKRALAKLKVKADWFADICRNRYEWEFIRYVSRFLPAVVPALRHCSATGNYFAMEYLGGEFQNWKQQLLAGEARPEAAAQAGGLLAEIHRHSTGDAEAK-------RIFDTTPNFYQ-LR-------I-EAYLLAT---GV---KH---PELR-PLFEAEAARLAATRECLVHGDFSPKNILVSPERMVLLDCEVAWYGDPSFDLAFMLNHFFLKTLLHAP-REVG----MRRMVEAFWAAYQTGRP-----------------TPELETRVGRLLVMLLLARVDG---KSPVEYLDVG-RQDFVRQFAR----VML--HEEAPSLGVVTNAWFARLSQFTS 2PUL Chain:A ((16-395)) ---------------------SAVALAVKLGL----TLTCQEIGDGNLNYVFHIY--DRALIIKQAVPYAKV-ESWPLTIDRARIESSALIRQGEHVPHLVPRVFYSDTEMAVTVMEDLSH-LKIARKGLIEGENYPHLSQHIGEFLGKTLFYSSDYALEPKVKKQLVKQFTNPELCDITERLVFTDPFFDHDTNDFEEELRPFVEKLWNNDSVKIEAAK-LKKSFLTSAETLIHGDLHTGSIFASEHETKVIDPEFAFYGPIGFDVGQFIANLFLNALSRDGADREPLYEHVNQVWETFEETFSEAWQKDSLDVYANIDGYLTDTLSHIFEEAIGFAGCELIRRTIGLAHVADLDTIVPFDKRIGRKRLALETGTAFIEKRSEFKTITDVIELFKLLV-----

General information: TITO was launched using: RESULT: Template: 2PUL.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1496 -95438 -63.80 -306.87 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -63.80 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.372

(partial model without unconserved sides chains): PDB file : Tito_2PUL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2pul-query.scw PDB file : Tito_Scwrl_2PUL.pdb: