Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAAAEKKDHQKVILVGDGAVGSSYAFALVTQNIAQEVGIVDINTAKTEGDAIDLSHALAFTSPKKIYSATYADAHDADLVVITAGAPQKPGETRLDLVNKNLKINRDVVTQIVESGFNGIFLVAANPVDILTYSTWKFSGFPKERVIGSGTSLDSARFRQALAELVDVDARNVHAYILGEHGDSEFPVWSHANVAGLQIYEWVKNNPEIDEEAMVNLFFGVRDAAYTIIEKKGATFYGIAVALARITRAILDDENAVLPLSVFMNGEYGLNDIYIGAPAVINRQGIQKVIEIPLSDSEQDRMAASAKQLKEILDEAFAKLDAE 3VKV Chain:A ((6-317)) ------DKDHQKVILVGDGAVGSSYAYAMVLQGIAQEIGIVDIFKDKTKGDAIDLSNALPFTSPKKIYSAEYSDAKDADLVVITAGAP-----TRLDLVNKNLKILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAEMVNVDARSVHAYIMGEHGDTEFPVWSHANIGGVTIAEWVKAHPEIKEDKLVKMFEDVRDAAYEIIKLKGATFYGIATALARISKAILNDENAVLPLSVYMDGQYGLNDIYIGTPAVINRNGIQNILEIPLTDHEEESMQKSASQLKKVLTDAF------

General information: TITO was launched using: RESULT: Template: 3VKV.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 : 1720 -244227 -141.99 -795.53 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.94 3D Compatibility (PKB) : -141.99 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.94 QMean score : 0.548

(partial model without unconserved sides chains): PDB file : Tito_3VKV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKV-query.scw PDB file : Tito_Scwrl_3VKV.pdb: