Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MQSERWWQDSSVTAELFQRPKSFEFIQAT------RLLRHMPANDAALSWCDHFKFETSFNLNFPATEIESLELVDERVHLTNLIVGLTGI--QGTLPYTYTNKIKQAPRQQR--AETKEFLSLFNHKLTSQYVESSITYHLPVRYEIENKNDYLDILHALNGYVRSQHQQQDLDEYFAEFSGLMQGQNNTVHALKTMLSCIFKHEITIKEFVQESFKLAGDQLTTLGGSQPSLLGINTFCGETIQQIDGKIE---IQIGPLKHQQYLRFLPHQELSLKLKKIVETWCSPTLSIDLRLILDESEIQPVRLT-QGQEGGLGQGAFLMSRKPNTHNDETCYSLIGEQI 3N7X Chain:A ((31-329)) GPDPHRCLQFNTGDSIHITFQTRRYFEFDAANDGNFDGKNLYCLP-----LHWMNLYLYGLKSS-DSSATETQRYKMVKSMMKTYGWKVHKAGVVMHSMVPLMKDLKVSGGTSFETLTFTDTPYLEIFKDTTGLHNQLSTKETDVTLAKWIQN-----------PQLVTVQSTAANYEDPIQQFGFMEQMRTGD----------------------RKAYTIHGDTRNWYGGE------IPTTGPTFIPKWGGQIKWDKPSLGNLVYPADHHTNDWQQIFMRMS-PIKGPNGDELKLGCRVQADFFLHLEVRLPPQGCVASLGMLQYLH--APCTGQLNKCYIMHTN--

General information: TITO was launched using: RESULT: Template: 3N7X.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 : 1292 44848 34.71 159.04 target 2D structure prediction score : 0.23 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 34.71 2D Compatibility (Sec. Struct. Predict.) : 0.23 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.102

(partial model without unconserved sides chains): PDB file : Tito_3N7X.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3N7X-query.scw PDB file : Tito_Scwrl_3N7X.pdb: