Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTSTKQHKKVILVGDGAVGSSYAFALVNQGIAQELGIIEIPQLHEKAVGDALDLSHALAFTSPKKIYAAQYSDCADADLVVITAGAPQKPGETRLDLVGKNLAINKSIVTQVVESGFKGIFLVAANPVDVLTYSTWKFSGFPKERVIGSGTSLDSARFRQALAEKLDVDARSVHAYIMGEHGDSEFAVWSHANIAGVNLEEFLKDTQNVQEAELIELFEGVRDAAYTIINKKGATYYGIAVALARITKAILDDENAVLPLSVFQEGQYGVENVFIGQPAVVGAHGIVRPVNIPLNDAETQKMQASAKELQAIIDEAWKNPEFQEASKN 3VKU Chain:D ((4-316)) -ITDKDHQKVILVGDGAVGSSYAYAMVLQGIAQEIGIVDIF--KDKTKGDAIDLEDALPFTSPKKIYSAEYSDAKDADLVVITAG--------------KNLKILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAKMVNVDARSVHAYIMGEHGDTEFPVWSHANIGGVTIAEWVKAHPEIKEDKLVKMFEDVRNKAYEIIKLKGATFYGIATALARISKAILNDENAVLPLSVYMDGQYGLNDIYIGTPAVINRNGIQNILEIPLTDHEEESMQKSASQLKKVLTD--A----------

General information: TITO was launched using: RESULT: Template: 3VKU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1680 -222022 -132.16 -742.55 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain D : 0.89 3D Compatibility (PKB) : -132.16 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.89 QMean score : 0.633

(partial model without unconserved sides chains): PDB file : Tito_3VKU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3VKU-query.scw PDB file : Tito_Scwrl_3VKU.pdb: