Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPKKILVLHTGGTISMQADASGAVVT------SSDNPMNHVSNPLEGIQVHALDFFNLPSPHIKPKHMLVLYQKIKEEAD-NYDGVVITHGTDTLEETAYFLDTMEVPHMPIVLTGAMRSSNELGSDGVYNYLSALRVASDDRAADKGVLVVMNDEIHAAKYVTKTHTTNVSTFQTPTHGPLGLIMKQEILYFKTAEP----RVRFDLDHIQG---LVPIISAYAGMTDELIDMLDLEHLDGLIIQAFGAGNIPKETAQKLESLLQKGIPVALVSRCFNGIAEPVYAYQGGGVQLQKAGVFFVKELNAQKARLKLLIALNAGLTGQALKDYMEG- 3ECA Chain:A ((1-326)) -LPNITILATGGTIAGGGDSATKS-NYTVGKVGVENLVNAVPQLKDIANVKGEQVVNIGSQDMNDNVWLTLAKKINTDCDK-TDGFVITHGTDTMEETAYFLDLTVKCDKPVVMVGAMRPSTSMSADGPFNLYNAVVTAADKASANRGVLVVMNDTVLDGRDVTKTNTTDVATFKSVNYGPLGYIHNGKIDYQRTPARKHTSDTPFDVSKLN-ELPKVGIVYNYANASDLPAKALVDAGYDGIVSAGVGNGNLYKSVFDTLATAAKTGTAVVRSSRVPT-----GATTQDAEVDDAKYGFVASGTLNPQKARVLLQLALTQTKDPQQIQQIFNQY

General information: TITO was launched using: RESULT: Template: 3ECA.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 : 1978 83568 42.25 268.71 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : 42.25 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.489

(partial model without unconserved sides chains): PDB file : Tito_3ECA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3ECA-query.scw PDB file : Tito_Scwrl_3ECA.pdb: