Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGAINPKEDYSNIQNLTFDAVIVGGGGSGMRASYQLAQAGLKVAVLTKVFPTRSHTVAAQGGIGASLGNMQEDNWHFHFYDTVKGSDWLGDQDAIEFMCREAPKVVYELEHLGMPFDRNADGTIYQRPFGGHSANYGDKPVPRACAAADRTGHALLHTLYQSNVKMGTQFFVEWIALDLIRNEAGDVLGVTAIDQETGNIAVFQAKATLFATGGAGRVYRASTNAYINTGDGLGMAARAGIPLQDMEFWQFHPTGVAGAGVLLTEGCRGEGAILRNKDGEPFMERYAPTLKDLAPRDFVSRSMDQEIKEGRGC-GPKGDYILLDMTHLGADTIMKRLPSVFEIGKKFANVDITKEPIPVVPTIHYQMGGIPTNMHGQ-VCLPEPGTDNYTKPVKGFYAIGECSCVSVHGANRLGTNSLLDLVVFGKAAGEHIIDYVTKHHGDEYAPLPTNVLEQTLARVRKLDESTSGENAQEVADAIRDIVQDHAGVFRTQALLDKGVKEILALEPRVRNIHLKDKSKVFNTARVEALEVENLYEVAKATLISAAARKECRGAHTVVDYELPADHPTYSYGRRDYEWMKHTLWYSSDNRLEYKPVRFKPLTVDPIPPAPRTF 1NEK Chain:A ((8-588)) -----------------FDAVVIGAGGAGMRAALQISQSGQTCALLSKVFPTRSHTVSAQGGITVALGNTHEDNWEWHMYDTVKGSDYIGDQDAIEYMCKTGPEAILELEHMGLPFSRLDDGRIYQRPFGGQSKNFGGEQAARTAAAADRTGHALLHTLYQQNLKNHTTIFSEWYALDLVKNQDGAVVGCTALCIETGEVVYFKARATVLATGGAGRIYQSTTNAHINTGDGVGMAIRAGVPVQDMEMWQFHPTGIAGAGVLVTEGCRGEGGYLLNKHGERFMERYAPNAKDLAGRDVVARSIMIEIREGRGCDGPWGPHAKLKLDHLGKEVLESRLPGILELSRTFAHVDPVKEPIPVIPTCHYMMGGIPTKVTGQALTVNEKGEDVV---VPGLFAVGEIACVSVHGANRLGGNSLLDLVVFGRAAGLHLQESIAEQGALRDA--SESDVEASLDRLNRWNNNRNGEDPVAIRKALQECMQHNFSVFREGDAMAKGLEQLKVIRERLKNARLDDTSSEFNTQRVECLELDNLMETAYATAVSANFRTESRGAHSRFDFP----------DRDDENWLCHSLYLPESESMTRRSVNMEPKLRPAFPPKIRTY

General information: TITO was launched using: RESULT: Template: 1NEK.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 : 3824 -55648 -14.55 -96.11 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.86 3D Compatibility (PKB) : -14.55 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.86 QMean score : 0.499

(partial model without unconserved sides chains): PDB file : Tito_1NEK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1NEK-query.scw PDB file : Tito_Scwrl_1NEK.pdb: