Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKDGYIIERGPDSFLERKKSAPQLVKDLGLEHLL--VNNATGQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILG---MKKTRPQGSGQQLTAKK-QGQFQTLSTGLQTLVEEIEKQLKLTKVYKGTKVTKLSHSGSCYSL---ELDNGVTLDADSVIVTAPHKAAAGMLSEL-PAISHL-KNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPHAAPEGKTLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHKQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS 2IVE Chain:A ((18-470)) ------NVAVVGGGISGLAVAHHLRSRGTDA------VLLESSARLGGAVGTHALAGYLVEQGPNSFLDREPATRALAAALNLEGRIRAADPAAKRRYVYT--------RGRLRSVPASPPAFLASDILPLGARLRVAGELFSRRAPEGVDESLAAFGRRHLGHRATQVLLDAVQTGIYAGDVEQLSVAATFPMLVKMEREHRSLILGAIRAQKAQRQ----AGTAPKLSGALSTFDGGLQVLIDALAASLG-DAAHVGARVEGLAREDGGWRLIIEEHGRRAELSVAQVVLAAPAHATAKLLRPLDDALAALVAGIAYAPIAVVHLGFDAGTLPAP-DGFGFLVPAEEQRRMLGAIHASTTFPFRAEGGRVLYSCMVGGARQPGLVEQDEDALAALAREELKALAGVTARPSFTRVFRWPLGIPQYNLGHLERVAAIDAAL-QRLPGLHLIGNAYKGVGLNDCI-RNAAQLADALV----

General information: TITO was launched using: RESULT: Template: 2IVE.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 : 2404 -259771 -108.06 -593.08 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain A : 0.77 3D Compatibility (PKB) : -108.06 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.462

(partial model without unconserved sides chains): PDB file : Tito_2IVE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2IVE-query.scw PDB file : Tito_Scwrl_2IVE.pdb: