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 3NKS Chain:A ((3-471)) -----RTVVVLGGGISGLAASYHLSR----APCPPKVVLVESSERLGGWIRSVRGPNGAIFELGPRGIRPAGALGARTLLLVSELGLDSEVLPVRGDHPAAQNRFLYVGGALHALPTG-LRG---PSPPF-SKPLF------WAGLRELTKPRGKEPDETVHSFAQRRLGPEVASLAMDSLCRGVFAGNSRELSIRSCFPSLFQAEQTHRSILLGLLLG--QPDSALIRQALAERWSQW-SLRGGLEMLPQALETHLTSRGVSVLRGQPVCGLSLQAEGRWKVSLRDS-SLEADHVISAIP----ASVLSELLPAEAAPLARALSAITAVSVAVVNLQY-QGA-HLPVQGFGHLVPSSEDPGVLGIVYDSVAFPEQDGSPPG---LRVTVMLGGSWLQTLEASGCVLSQELFQQRAQEAAATQLGLKEMPSHCLVHLHKNCIPQYTLGHWQKLESARQFLTAHRLPLTLAGASYEGVAVNDCIESGRQAAVSVL-----

General information: TITO was launched using: RESULT: Template: 3NKS.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 : 2450 -240675 -98.23 -557.12 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain A : 0.75 3D Compatibility (PKB) : -98.23 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.494

(partial model without unconserved sides chains): PDB file : Tito_3NKS.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3NKS-query.scw PDB file : Tito_Scwrl_3NKS.pdb: