Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVK-KDGYIIERGPDSFLERKKSAPQ---LVKDLGLEHLLV-----NNATGQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSG---QQLTAKKQGQFQTLSTGLQTLVEEIEKQL--KLTKVYKGTKVTKLS-HSGSCYSLELDNGVTLDADSVIVTAPHKAAAGMLSEL------PAISHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPH--AAPEGKTLLRAYVGKAG------DESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHKQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS 4IVO Chain:B ((9-477)) -----RTVVVLGGGISGLAASYHLSR----APCPPKVVLVESSERLGGWIRSVRGPNGAIFELGPQGIRPAGALGARTLLLVSELGLDSEVLPVRGDHPAAQNRFLYVGGALHALPTG-LR----PSPPF-SKPLF------WAGLRELTKPRGKEPDETVHSFAQRRLGPEVASLAMDSLCRGVFAGNSRELSIRSCFPSLFQAEQTHRSILLGLLLG--QPDSALIRQALAERWSQW-SLRGGLEMLPQALETHLTSRGVSVLRGQPVCGLSLQAEGRWKVSLRDS-SLEADHVISAIP----ASVLSELLPAEAAPLARALSAITAVSVAVVNLQY-QGA-HLPVQGFGHLVPSSEDPGVLGIVYDSVAFPEQDGSPPG---LRVTVMLGGSWLQTLEASGCVLSQELFQQRAQEAAATQLGLKEMPSHCLVHLHKNCIPQYTLGHWQKLESARQFLTAHRLPLTLAGASYEGVAVNDCIESGRQAAVSVL-----

General information: TITO was launched using: RESULT: Template: 4IVO.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2462 -241902 -98.25 -561.26 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : -98.25 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.498

(partial model without unconserved sides chains): PDB file : Tito_4IVO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4IVO-query.scw PDB file : Tito_Scwrl_4IVO.pdb: