Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDKNIGGMKMIKGSIVALITPMNEEGSVDYAGLEKLIQFHLDEQTDGLLVLGTTGESSTLTQSEEEQILQLTVKKVAGRVPVIAGAGTNNTKETIEKAKHFASLGADALLVITPYYNKTSDAGLAAHFTAIAEASPIPLILYNVPSRTGMSIPIHVLVNLAEHPNIIGLKEASGDMAYVMDAARLIGEEFFLYSGNDDLILPVMSVGGSGVISVWANIQPKIVHELVKDTQDGRWQQAKEKQLNALELIHALFSETNPIPVKAAMSLLDLPSGPLRLPLVSLSKEKKKQLAQLLLKERTVEK 3PUE Chain:B ((2-285)) ----------IQGSIVAIVTPMLKDGGVDWKSLEKLVEWHIEQGTNSIVAVGTTGEASTLSMEEHTQVIKEIIRVANKRIPIIAGTGANSTREAIELTKAAKDLGADAALLVTPYYNKPTQEGLYQHYKAIAEAVELPLILYNVPGRTGVDLSNDTAVRLAEIPNIVGIKDATGDVPRGKALIDALNGKMAVYSGDDETAWELMLLGADGNISVTANIAPKAMSEVCAVAIAKDEQQAKTLNNKIANLHNILFCESNPIPVKWALHEMGLIDTGIRLPLTPLAEQYREPLRNAL--------

General information: TITO was launched using: RESULT: Template: 3PUE.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 : 1702 -167132 -98.20 -588.49 target 2D structure prediction score : 0.74 Monomeric hydrophicity matching model chain B : 0.82 3D Compatibility (PKB) : -98.20 2D Compatibility (Sec. Struct. Predict.) : 0.74 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.585

(partial model without unconserved sides chains): PDB file : Tito_3PUE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3PUE-query.scw PDB file : Tito_Scwrl_3PUE.pdb: