Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAAILGDTIMVAKGLVKLTQAAVETHL-QHLGIGGELIMAARALQSTAVEQIGMFLGKVQGQDKHEEYFAENFGGPEGEFHFSVPHAAGASTDFSSASAPDQSAPPSLGHAHSEGPAPAYVASGPFREAGFPGQASSPLGRANGRLFANPRDSFSAMGFQRRFFHQDQSPVGGLTAEDIEKARQAKARPENKQHKQTLSEHARERKVPVTRIGRLANFGGLAVGLGFGALAEVAKKSLRSEDPSGKKAVLGSSPFLSEA-NAERIVRTLCKVRGAALKLGQMLSIQDDAFINPHLAKIFERVRQSADFMPLKQMMKTLNNDLGPNWRDKLEYFEERPFAAASIGQVHLARMKGGREVAMKIQYPGVAQSINSDVNNLMAVL--NMSNMLPEGLFP--EHLIDVLRRELALECDYQREAACARKFRDL-LKGHPFFYVPEIVDELCSPHVLTTELVSGFPLDQAEGLSQEIRNEICYNILVLCLR---ELFEFHFMQTDPNWSNFFYDPQQHKVALLDFGATREY-DRSFTDLYIQIIRAAADR--DRETVRAKSIEMKFLTGYEVKVMEDAHLDAILILGEAFASDEPFDFGTQSTTEKIHNLIPVMLRHRLVPPPEETYSLHRKMGGSFLICSKLKARFPCKAMFEEAYSNYCKRQAQQ--- 3VWA Chain:A ((5-544)) ------------------------PLHMSISNFQFPYTIEETAITETAL--WQCFDGTRKADSLPVTVFKAKRSPENESLILNAVHKSKILKIPGLCT---------VLETFDSDPQSTFIVTERVVP--FPWDNLGSLSQNKFGVELGISQLLATLGFLKNFV------LGTLSKDS----------------------------VFINIKGEWVLFGLELCSSKEGLSAFEFASRARSYYNIIGSQLPCEDPNTIDSMGLGLLIKSLMAPSCLPKDWIVNVNISDGKITIENFRKRLENTETWRS-NPLINFYQELRELHIKD-----------PQGKLVVSNLENLYLES-REIFRNLT-PGIENFIIPELCEIIKLLTQSISSNASHKLVPFLAIVLDLTSETNTFPVGFNDLITQSFKLPDRQVRFLLLIYLPKLIG----------------PLSKSE-ISSRI-----YPHFIQGLTDSDATLRLQTLKTIPCIVSCLTERQLNNELLRFLAKTQVDSDVEIRTWTVIIISKISTILSTSVGNRSNILATAFTKSLKDP-QVKPRLAALYGLEKSIEL-----FDVNTIANKILTVIAPGLLDK-----------------------SPIVRGRAKILFEEYLEKLEKEAQLIQTN

General information: TITO was launched using: RESULT: Template: 3VWA.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 : 2396 -21112 -8.81 -41.32 target 2D structure prediction score : 0.49 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -8.81 2D Compatibility (Sec. Struct. Predict.) : 0.49 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.139

(partial model without unconserved sides chains): PDB file : Tito_3VWA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3vwa-query.scw PDB file : Tito_Scwrl_3VWA.pdb: