Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNIALVGNPNSGKTSLFNLLTGSNQYVGNWPGVTVEKKEGSL-KKNPNIHIQDLPGIYSLSPYTP-EEVIARDYLVQEQPELIINIIDATNLERNLYLTTQLLDLDIPMIIGLNMMDVIKKEGKKINLEKLSYGLGVPVLPISVLKKQGIEKLIEKIQ-ESAKKRPSIPVPCTYDPRLEAALHEIEDVLGEQSG------KKRWYAMKYFERDQKVREDYEIAVSQQKEIEQLIQLTEKLLDDDSETILVNERYEFITQLCTLCVVSNDSFQLSMSDKIDQIATNRWLALPIFAFVMWLIYYLAIQTVGTMGTDWINDTLFGTWLPEHVGRLLAEWQVAGWMQELILNGIIAGVGAVLGFLPQLIILFLCLSFLEDCGYMARIAFVMDRLFRKFGLSGKSFIPMLIATGCGVPGVMASRTIENEQDRRLTIMVTTFMPCSAKLPIIALVAGAFFPHQSWVAPSAYFLGMTAIIFSGISLKKTRLFAGDTAPFIMELPAYHFPQWSAVLRQTYDRSKSFVKKAGTIIFVSSIVIWFSSSYNFYAQPVSEDQSILAFFGRILAVVFQPLGWGNWQGTVAAITGLVAKENIIGTFGILFGHAEVSENGREIWQVLQHTYTPAAAYSLLAFNLLCAPCFAAIGAIHREMNAKKWTWIAIGYQCGLAYLVSFVIYQLGHLLEGGQVALGTYLAILLMIGLVYVLFRQPKSKNQFYTILSLEGEE 2WIB Chain:B ((4-261)) LTVGLIGNPNSGKTTLFNQLTGARQRVGNWAGVTVERKEGIFATTDHQVTLVDLPGTYSLTTI--LDEQIACHYILSGDADMLINVVDASNLERNLYLTLQLLELGIPCVVALNMLDIAEKQQVRIDIDALAARLGCPVIPLVSTRGRGIEAL--KIALDRHQANSDLELVHYPQPLLREA-----DLLAQQMSAQIPPRQRRWLGLQMLEGDIYSRA-YAGDAADKLDIA-LANLSDEI--DDPALHIADARYQTIAAICD--AVSN-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2WIB.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 : 1252 -8127 -6.49 -33.31 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.55 3D Compatibility (PKB) : -6.49 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.382

(partial model without unconserved sides chains): PDB file : Tito_2WIB.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2WIB-query.scw PDB file : Tito_Scwrl_2WIB.pdb: