Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAKIQELSERLANQIAAGEVVERPASVVKELVENAIDAGSTQIDILVEEAGLRTIQVIDNGEGILADDVENAFKRHATSKIHNRDDLFRIRTLGFRGEALPSIASVSEMTLETANQEEKQGTYLSL-KGGEVIEHRPAPLRQGTKITVSNLFFNTPARLK-YVKTLHTELANIGDIVNRLALSHPSIAFRLVHDGNK-----MLATAGNGDLKQTIAGIYG---LSTAKKMLKIEGKDLDFELFGYVSLPEVTRASRN--YLSTIIN------GR--------FIKNFSLNKAIVAGYGSKL--MVGR--FPIAVLEIKMDPLLVDVNVHPTKQEVRLSKEKELTELISNAIQKALSQENLIPSAADNLRFKKKVPDQPKTEQIEIDLSYAFEEEKPKKPSSLNFDRETGTFFVEELKNTFVDRIVDKSVENVENYSGFSEENTTYPEKTAKTVDKFGENVDNFVEKTVEKSEKKEFPIVDNMEKTNEEQADKSVEEDEKIYEEELTLHPEFDFTQGNDKTLEQAIKKLETEKPVQRFPQLEYFGQMHGTYLFAQSSDGLYIIDQHAAQERIKYEYFREKIGEVSDDLQELLVPFVLDYPNSDALKLKEQKHLLEDAGIYLEEFGQNSFIVRAHPTWYPNGEEESIIREMIDMLLTTGSVSVKKFREATAIMMSCKRSIKANHYLNEAQARVLLKDLARCENPFNCPHGRPVLIHFTNSDMERMFKRIQDPH 1H7U Chain:A ((31-359)) -------------------VVLSLSTAVKELVENSLDAGATNIDLKLKDYGVDLIEVSDNGCGVEEENFEGLTLK---------------------GEALSSLCALSDVTISTCHASAKVGTRLMFDHNGKIIQKTPYPRPRGTTVSVQQLFSTLPVRHKEFQRNIKKEYAKMVQVLHAYCIISAGIRVSCTNQLGQGKRQPVVCTGGSPSIKENIGSVFGQKQLQSLIPFVQLPPSDSVCEEYGL----SCSDALHNLFYISGFISQCTHGVGRSSTDRQFFFINRRPCDPAKVCRLVNEVYHMYNRHQYPFVVLNISVDSECVDIN------QILLQEEKLLLAVLKTSL--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 1H7U.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 : 1240 -21545 -17.37 -79.21 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : -17.37 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.434

(partial model without unconserved sides chains): PDB file : Tito_1H7U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1H7U-query.scw PDB file : Tito_Scwrl_1H7U.pdb: