Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSLKKNPN-IHIQDLPGIYSLSPYTP--EEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQS--GKKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE 3HYT Chain:B ((4-260)) LTIGLIGNPNSGKTTLFNQLTGSRQRV---------RKEGQFSTTDHQVTLVDLPGTYSLT----SLDEQIACHYILSGDADLLINVVDASNLERNLYLTLQLLELGIPCIVALNMLDIAEKQNIRIEIDALSARLGCPVIPLVSTRGRGIEALKLAI-DRYKANENVELVHYAQPLLNEA-DSLAKVMPSDIPLKQRRWLGLQMLEGDIYSRA-YAGEASQHLD-AALARLRNEM--DDPALHIADARYQCIAAICD--VVS--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3HYT.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 : 1162 -3972 -3.42 -16.76 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain B : 0.53 3D Compatibility (PKB) : -3.42 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.53 QMean score : 0.424

(partial model without unconserved sides chains): PDB file : Tito_3HYT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3HYT-query.scw PDB file : Tito_Scwrl_3HYT.pdb: