Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MGLLEDLQRQVLIGDGAMGTLLYSYGIDRCF----------------EELNISKPEEIQRIHKAYVEAGANIIQTNTYGANYIKLSRHGLEDDIKKMNQEAVKIARASAGDA--------YVLGTMG----------GIRTFNKNAYSLDEIKRSFREQLYLLLHEEPDGLLLETYYDLEEAREVLKIARKETD-----LPIMLNVSMHEQ-GVLQDGTPLSDALRSIADLGADIVGINCRLGPYHMIEALSEVPIFDDVFLSVYPNSSLPSLEEGRLVYETDDTYFQNSASEFRKQGARIIGGCCGTTPNHIRAMAEAVGGLAPITEKEVKTRAKEFIS-VHHERTEPGLDEIAAKKRSIIVELDPPKKLS----FDKFLSAAAELKEAGIDALTLA--DNSLATPRISNVACGALVKQQLDMRSLVHITCRDRNIIGLQSHLMG----LDTLGLNDVLAITGDPSKIGDFPGATSVYDLTSFDLIRLIKQFNEGLSLSGKPLGKKTNFSVAAAFNPNVRHLDKAVKRLEKKIDCGADYFVSQPVYSEQQLVDIHNETKHLKTPIYIGIMPLTSSRNAEFIHNEIPGIKLSDTIREKMAHAGEDKEKQKAEGLAIARSLLDTACELFNGIYLIT-------PFLRSDLTAELTSYIQQKDEQRQNIFLH--- 4CCZ Chain:A ((4-638)) TLRDEINAILQKRIMVLDGGMGTMIQREKLEEHFRGQEFKDHARPLKGNNDILSITQPDVIYQIHKEYLLA--DIIETNTFSSTSIAQADYGLEHLAYRMNMCSAGVARKAAEEVTLQTGIKRFVAGALGPTNKTLSVSPSVERPDYRNITFDELVEAYQEQAKGLLDGGVDILLIETIFDTANAKAALFALQNLFEEKYAPRPIFISGTIVDKSGRTLSGQTGEGFVISVSHGEPLCIGLNCALGAAEMRPFIEIIGKCTTAYVLCYPNAGFAM-----------------------DGLVNIVGGCCGSTPDHIREIAEAVKNCKPRVPPATAFEGHMLLSGLEPFRIGPYTNFVNIGERCNVAGSRKFAKLIMAGNYEEALCVAKVQVEMGAQVLDVNMDDGMLDGPSAMTRFCNLIASEPDIAKVPLCIDSSNFAVIEAGLKCCQGKCIVNSISLKE-----------GEDDFLEKARKIKKYGAAMVVMAFDEE--------------GQATETDTKIRVCTRAYHLLVKKLGFNPNDIIFDPNILT---IGTGMEEHNLYAINFIHATKVIKET--------LPGARISGG----LSNLSFSFRGMEAIREAMHGVFLYHAIKSGMDMGIVNAGNLPVYDDIHKELLQLCEDLIWNKDPEATEKLLRYAQ

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 : 3137 -303281 -96.68 -554.44 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.68 3D Compatibility (PKB) : -96.68 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.399

(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: