Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQQRVIVGMSGGVDSSVSAALLLQQGYQVEGLFMKNWEEDDGTEYCTAMEDLADAQAVADKIGIKLHTANFAMEYWDRVFEHFLAEYAAGRTPNPDILCNKEIKFRAFLDHAMTLGADFIATGHYARRAETAYNSKGEAYAPLLRGLDNNKDQTYFLHAVHGREINKTLFPVGEIEKPEVRRIAEELDLATAKKKDSTGICFIGERRFNDFLKQYLPAQPGKIVLDNGKEVGEHHGLMYYTLGQRGGIGLGGMKGASEGAWFVLHKDVTNNRLVVGQGHDHPLMQSTQLWSESIDWVAGEQNIPAEGLRCTAKTRYRQPDQACTVFIDENSEHGVRVEFDEPQRAVTPGQSVVFYSDEVCLGGGVIHHTNAPTPNFI 3FIU Chain:A ((33-105)) -----VIGLSGGIDSAVAASLAVKTGLPTTALILPS----DNNQH----QDMQDALELIEMLNIEHYTISIQPAY-----EAFLA----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3FIU.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 : 218 -26269 -120.50 -392.07 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain A : 0.58 3D Compatibility (PKB) : -120.50 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.583

(partial model without unconserved sides chains): PDB file : Tito_3FIU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3FIU-query.scw PDB file : Tito_Scwrl_3FIU.pdb: