Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MNMALKVSIASKSAHLTPEQIEE-FGRRVEQIRQDVMQSLGEQDAKYIY-----KVRNFVRYTEIASRGMLMFGGWIPPVWLLGTGLLGISKIVENMELGHNVMHGQFDWLNEPSLNGNTYDWDTIASGDDWRETHNYVHHTYTNIVGKDHDIGYGILRVSDQQKWE-------------PRHLFNIPLALQLMFFFEWYVGVQNLHLEDALVYKTKSWKQVWEDAAKVRKKAT------RQVLKDYVFFPVISGPMFLPVFAGNVVANIIRNLWSSAVIFNGHFTEDAETFEPDNTDTETKAEWYLRQIRGSSNFSGTEWLHFMSGNLSHQIEHHLFPDMPANRYKEVAPKIKALCAEYGINYNEANFMRQFWSVWVRLAKCSLPNHTTAKVMQTLEKLKAKFKFA 3IYM Chain:A ((39-434)) ASASKAAAFAQGGSSDPVPMPGKYPVVFSTGAGEPTRDQEFALPVHKAFPLFGSVSDKYRRNPRYAEFRAHSEFTDGVF--GTHLAVSSLLRLAQQLVHAHVNMGLPLGDFAPLASSDVRIPSALASVVNQFGEFSSPSIGTRFLLRDFEHAVSRVVFLADQLWTNGNSHHIFARSWLPMSNNDGNFKTIVASRLLEFISAGDLSILPTVLEDAVLSGEVP--EAWEQVKDLLGDAPGVGQVDRRDRFDFLFKSYADVGQFTTAFTTQAASDVLTELGLPWN--SPSAGHLNWQYSTKQRFTFLADTWAKLSAAYSQFFELS------SGLATRQSATGSHAQMVDLTSVEGVTVLKAALALSAPEFSLAACFPPSCIFVGGLTRRVVVTTSLSVSQRATEFCQMDWR--

General information: TITO was launched using: RESULT: Template: 3IYM.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 : 1846 20906 11.32 56.81 target 2D structure prediction score : 0.41 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 11.32 2D Compatibility (Sec. Struct. Predict.) : 0.41 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.129

(partial model without unconserved sides chains): PDB file : Tito_3IYM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IYM-query.scw PDB file : Tito_Scwrl_3IYM.pdb: