Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------MSLHGKRKEIYKYEAPWTVYAMNWSVRPDKRFRLAL-------GSFVEEYNNKVQLVGLDEESSEFICRNTFDHPYPTTKLMWIPDTKGVYPDLLATSGDYLRVWRVGETETRLECLLNNNKNSDFCAPLTSFDWNEVDPYLLGTSSIDTTCTIWGLETGQVLGRVNLVSGHVKTQLIAHDKEVYDIAFSRAGGGRDMFASVGADGSVRMFDLRHLEHSTIIYEDPQHHP-LLRLCWNKQDPNYLATMAMDGMEVVILDVRVPCTPVARLNNHRACVNGIAWAPHSSCHICTAADDHQALIWDIQQM-------PRAIEDPILAYTAEG---EINNVQWASTQPDWIAIC-YNNCLEILRV------- 3C99 Chain:A ((13-417)) SFDDAVEERVINEEYKIWKKNTPFLYDLVMTHALEWPSLTAQWLPDVTKQDGKDYSVHRLILGTHTSDEQNHLLIASVQLPSEDFGSVCGKIEIEIKINHEGEVNRARYMPQ--NACVIATKTPSSDVLVFDYTKHPCQPDLRLRGHQKE-----GYGLSWNPNLNGYLLSASDDHTICLWDINATPKEHRVI----DAKNIFTGHTAVVEDVAWHL--LHESLFGSVADDQKLMIWDTRNNNTSKPSHTVDAHTAEVNCLSFNPYSEFILATGSADK-TVALWDLRNLKLKLHSFESHKDEIFQVQWSPHNETILASSGTDRRLHVWDLSKIGEEQSTEDAEDGPPELLFIHGGHTAKISDFSWNPNEPWIICSVSEDNIMQVWQMAENVYND

General information: TITO was launched using: RESULT: Template: 3C99.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 : 1683 -20553 -12.21 -62.66 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -12.21 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.295

(partial model without unconserved sides chains): PDB file : Tito_3C99.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3C99-query.scw PDB file : Tito_Scwrl_3C99.pdb: