Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKKSFSIVIAGGGSTFTPGIVLMLLDHLEEFPIRKLKLYDNDKERQDRIAGACDVFIREK--APDIEFAATTDPEEAFTDVDFVMAHIRVGKYAMRALDEQIPLKYGVVGQETCGPGGIAYGMRSIGGVLEILDYMEKYSPDAWMLNYSNPAAIVAEATRRLR--PNSKILNI-CDM-PVGIEDRMAQILGLSSRKEMKVRYYGLNHFGWWTSIQDQEGNDLMPKLKEHVSQYGYIPKTEAEAVEASWNDTFAKARDVQAADPDTLPNTYLQYYLFPDDMVKKSNPNHTRANEVMEGREAFIFSQCDMITREQSSENSEIKIDDHASYIVDLARAIAYNTGERMLLIVENNGAIANFDPTAMVEVPCIVGSNGPEPITVGTIPQFQKGLMEQQVSVEKLTVEAWAEKSFQKLWQALILSKTVPNARVARLILEDLVEANKDFWPELDQSPTRIS 3VKU Chain:A ((7-304)) --KDHQKVILVGDGAV-GSSYAYAMVLQG-I--AQEIGIVDIFKDKTKGDA---IDLEDALPFTSPKKIY--SAEYSDAKDADLVVITAGAP------------------------------------ILKSIVDPIVDSGFNGIFLVAANPVDILTYATWKLSGFPKNRVVGSGTSLDTARFRQSIAKMVNVD-ARSVHAYIMG-EH-----------GDTEFPVWSHANIG-GV-------------T-----IAEWVKAHP-EIKEDKLV------KMFEDV---RNKAYEIIKL------------------K-GA-TFYGIATALARISKAILNDENAVLPLSVYMDGQY-GLN-DIYIGTPAVINRNGIQNILEIPLTDHEEESMQK--------------------------------------------------------------

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 A - contact count / total energy / energy per contact / energy per residue : 1506 -187508 -124.51 -679.38 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : -124.51 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.528

(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: