Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKSWKNWLIKINYCVYKKKRKGRMRKFLIILLLPSFLTISKVVSTEKEVVYTSKEIYYLSQSDFGIYFREKLSSPMVYGEVPVYANEDLVVESGKLTPKTSFQITEWRLNKQGIPVFKLSNHQFIAADKRFLYDQSEVTPTIKKVWLESDFKLYNSPYDLKEVKSSLSAYSQVSIDKTMFVEGREFLHIDQAGWVAKESTSEEDNRMSKVQEMLSEKYQKDSFSIYVKQLTTGKEAGINQDEKMYAASVLKLSYLYYTQEKINEGLYQLDTTVKYVSAVNDFPGSYKPEGSGSLPKKEDNKEYSLKDLITKVSKESDNVAHNLLGYYISN-QSDATFKSKMSAIMGDDW------------DPKEKLISSKMAGKFMEAIYNQN-------GFVLESLTKTDFDSQRIAKGVS--VKVAHKIGDADE--FKHDTGVVYAD---SPFILSIFTKNSDY------DTISKIAKDVYEVLK 1DJA Chain:A ((31-290)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------KELNDLEK-KY-NAHIGVYALDTKSGKEVKFNSDKRFAYASTSHAINSAILLEQVPYNK--LNKKVHINKD-------DIVAYSPILEK-YVGKDITLKALIEASMTYSDNTANNKIIKEIGGIKKVKQRLKELG-DKVTNPVRYEIELNYYSPKSKKDTSTPAAFGKTLNKLIANGKLSKENKKFLLDLMLNNKSGDTLIKDGVPKDYKVADKSGQAITYASRNDVAFVYPKGQSEPIVLVIFTNKDNKSDKPNDKLISETAKSVMKEF-

General information: TITO was launched using: RESULT: Template: 1DJA.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 : 1105 20392 18.45 91.03 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : 18.45 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.445

(partial model without unconserved sides chains): PDB file : Tito_1DJA.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1DJA-query.scw PDB file : Tito_Scwrl_1DJA.pdb: