Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQTLIFMHETGKISIDFFKECIMQDIPMSRWLSPLMAFCLSFVIMATLAPTMGIQIDRQIDFWLLWFGTMLLLALPVCYLEIALAKRSKTTALNALSSLTREADSSPK--WRVVGCLAVVFIPFLAG--------------NVLS---TA------SNILVAQ-FAPS--ISSQIIFVGLAVAALV----LSFIP-RQILILLMTLGVIASIVLANMM-GS-----TLQPWHWTSV-EFKEWGNATVLALVASGLGLGLYW-QNSVGAVQAQEGATKTVLPIWLAQLIAVVAFGFFSL------------------------QAQLPVLTWI---------FTGVMTSALFVQLAREQLAQRQLMPVLQWVIIVVAIAVWAVPEVHN----------------LFTLIL-MQ--WGL-LICLIYAVFAGWIMKISHLRKSMNFSNELFYNLWRIAVRIVLPLSIIVAMIAVIGQSI 4US3 Chain:A ((35-450)) ----------------------------------------------WRFSYV-TGENGGAAFLLVYLGFIALIGIPIVLAEFTIGRRAQSDAVGSFEKL------APGKPWKVAGLMGVAAGFLILSFYGVIAGWILFYLFNYITGQLWSAPAEGFGGFFEGFIANPTLPLFWQALFMIATIWIVAIGVKKGIERSNKILMPLLGVLLIALAIYSLTLGGAKEGLAFLFSPDWSALKDPGVYLAAISQAFFTLSLGMGALITYGSYV--SKDSRLPGAAVSVAGLDTAFAIIAGIMIFPAVFALGLSPSGGPGLVFVVLPDIFDSIRLGPIVGIAFFILLGAAALSSAVSLLEVPVAYFMRKFDW-SRKQAAITLGVIITLLGIPSSLSFGVLGEVTIIPGLNIFDSVDFIASSVFLPLGGMIIALFIGWGWKTSDALAESDLTDSVWGKLWILSLRFIAPIAILIVFLSAF----

General information: TITO was launched using: RESULT: Template: 4US3.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 : 1515 -229636 -151.57 -713.16 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -151.57 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.293

(partial model without unconserved sides chains): PDB file : Tito_4US3.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4US3-query.scw PDB file : Tito_Scwrl_4US3.pdb: