Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKK-DGYIIERGPDSFLERK--KS-APQLVKDLGLEH-LLVNNA--T--GQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMDFILPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSG---Q--QLTAKKQGQFQTLSTGLQTLVEEIEKQLKL--TKVYKGTKVTKLSHSG-SCYSLELDNGVTLDADSVIVTAPHKAAAGMLSELPAI--SHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPHAAP-EGKTLLRAYVGKAGDESIVD----LSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHKQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS 3NKS Chain:A ((2-474)) ----GRTVVVLGGGISGLAASYHLSRAP----CPPKVVLVESSERLGGWIRSVRGPNGAIFELGPRGIRPAGALGARTLLLVSELGLDSEVLPVRGDHPAAQNRFLYVGGALHALPTGLRG----------PSPPFSKPLFWAGLRELTKP-RGKEPDETVHSFAQRRLGPEVASLAMDSLCRGVFAGNSRELSIRSCFPSLFQAEQTHRSILLGLLLG-----QPDSALIRQALAERWSQWSLRGGLEMLPQALETHLTSRGVSVLRGQPVCGLSLQAEGRWKVSLR-DSSLEADHVISAIPASVLSELLPAEAAPLARALSAITAVSVAVVNLQYQGA-HLP-VQGFGHLVPSSEDPGVLGIVYDSVAFPEQDGSPPGLRVTVMLGGSWLQTLEASGCVLSQELFQQRAQEAAATQLGLKEMPSHCLVHLHKNCIPQYTLGHWQKLESARQFLTAHRLPLTLAGASYEGVAVNDCIESGRQAAVSVLGTE--

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 : 2553 -238450 -93.40 -540.70 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.73 3D Compatibility (PKB) : -93.40 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.73 QMean score : 0.489

(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: