Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPKKIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAELIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN 3VKV Chain:C ((7-316)) ----KDHQKVILVGDGAVGSSYAYAMVLQGIAQEIGIVDI--FKDKTKGDAIDLSNALPFTSPKKIYSAEYSDAKDADLVVITAG--------------KNLKILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAEMVNVDARSVHAYIMGEHGDTEFPVWSHANIGGVTIAEWVKAHPEIKEDKLVKMFEDVRDAAYEIIKLKGATFYGIATALARISKAILNDENAVLPLSVYMDGQYGLNDIYIGTPAVINRNGIQNILEIPLTDHEEESMQKSASQLKKVLTDA------------

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 C - contact count / total energy / energy per contact / energy per residue : 1650 -219178 -132.84 -740.47 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain C : 0.90 3D Compatibility (PKB) : -132.84 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.619

(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: