Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTQFDKQYNSIIKDIINNGISDEEFDVRTKWDSDGTPAHTLSVMSKQMRFDNSE-VPILTTKKVAWKTAIKELLWIWQLKSNDVNDLNKMGVHIWDQ------------WKQEDGTIGHAYGFQ---LGKKNRSL----NGEKVDQVDYLLHQLKNNPSSRRHITMLWNPDDLDAMSLTPCVYETQWYVKHGKLHLEVRARSNDMALGNPFNVFQYNVLQRMIAQVTGYELGEYIFNIGDCHVYTRHIDNLKIQMEREQFEAPELWINPEVKDFYNFTIDDFKLINYKHGDKLLFEVAV 3UM6 Chain:A ((327-608)) ------QYLNIIYDIMMNG----------NKQSDRTGVGVLSKFGYIMKFDLSQYFPLLTTKKLFLRGIIEELLWFIRGETNGNTLLNK-NVRIWEANGTREFLDNRKLFHREVNDLGPIYGFQWRHFGAEYTNMYDNYENKGVDQLKNIINLIKNDPTSRRILLCAWNVKDLDQMALPPCHILCQFYVFDGKLSCIMYQRSCDLGLGVPFNIASYSIFTHMIAQVCNLQPAQFIHVLGNAHVYNNHIDSLKIQLNRIPYPFPTLKLNPDIKNIEDFTISDFTIQNYVHHEKISMDMAA

General information: TITO was launched using: RESULT: Template: 3UM6.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 : 1262 -17256 -13.67 -65.86 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -13.67 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.532

(partial model without unconserved sides chains): PDB file : Tito_3UM6.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UM6-query.scw PDB file : Tito_Scwrl_3UM6.pdb: