Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MNPIQHILDTYPLIVLDGAMATELERK-------GCNLNDSLWSAK-----ILMEEPELIKQVHTDYFAAGADCAITASYQSTFEGFAARGLSEAEARRLIELSVSIAAEARDEFWSLEENRLNRPKPIIAASIGPYGAYL--ADGSEYRGNYAISEDELIEFHRPRMKALIEAGADVLACETIPCLTEAKAIVRLLKEF-PETYA----WISFSAKDGLHISDGTPAADCASWLDEHRQIAALGINC-TPLQHIPSLIEELKKNTSKPIIVYPNSGEQYDPETKTWNGAACAESYGASARTWHEKGARLIGGCCRTKPENIQEIAAWARSLKTT------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4CCZ Chain:A ((4-638)) TLRDEINAILQK-RIMVLDGGMGTMIQREKLEEHFRGQEFKDHARPLKGNNDILSITQPDVIYQIHKEYLLA--DIIETNTFSSTSIAQADYGL-EHLAYRMNMCSAGVARKAAEEV-TLQTG----IKRFVAGALGPTNKTLSVSPSVERPDYRNITFDELVEAYQEQAKGLLDGGVDILLIETIFDTANAKAALFALQNLFEEKYAPRPIFISGTIVDKSGRTLSGQTGEGFVISVSHGEPLCIGLNCALGAAEMRPFIEIIGKCTTAYVLCYPNAGFAMDGLVN------------------------IVGGCCGSTPDHIREIAEAVKNCKPRVPPATAFEGHMLLSGLEPFRIGPYTNFVNIGERCNVAGSRKFAKLIMAGNYEEALCVAKVQVEMGAQVLDVNMDDGMLDGPSAMTRFCNLIASEPDIAKVPLCIDSSNFAVIEAGLKCCQGKCIVNSISLKEGEDDFLEKARKIKKYGAAMVVMAFDEEGQATETDTKIRVCTRAYHLLVKKLGFNPNDIIFDPNILTIGTGMEEHNLYAINFIHATKVIKETLPGARISGGLSNLSFSFRGMEAIREAMHGVFLYHAIKSGMDMGIVNAGNLPVYDDIHKELLQLCEDLIWNKDPEATEKLLRYAQ

General information: TITO was launched using: RESULT: Template: 4CCZ.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 : 1581 -170812 -108.04 -605.72 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -108.04 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4CCZ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CCZ-query.scw PDB file : Tito_Scwrl_4CCZ.pdb: