Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADLEAVLADVSYLMAMEKSKATPAA---RASKRIVLPEPSIRSVMQKYLAERNEITFDKIFN-QKIGFLLFKDFCLNEINEAVPQVKFYEEIKEYEKLDNEEDRLCRSRQIYDAYIMKELLSCSHPFSKQAVEHVQSHLSKKQVTSTLFQPYIEEICESLRGDIFQKFMESDKFTRFCQWKNVELNIHLTMNEFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRIKMKQGETLALNERIMLSLVSTGDCPFIVCMTYAFHTPDKLCFILDLMNGGDLHYHLSQH--GVFSEKEMRFYATEIILGLEHMHNRFVVYRDLKPANILLDEHGHARISDLGLACDFSKK-KPHASVGTHGYMAPEVLQKGTAYDSSADWFSLGCMLFKLLRGHSPFRQHKTKDKH-EIDRMTLTVNVELPDTFSPELKSLLEGLLQRDVSKRLGCHGGGSQEVKEHSFFKGVDWQHVYLQKYPPPLIPPRGEVNAADAFDIGSFDEEDTKGIKLLDCDQELYKNFPL-VISERWQQEVTET-VYEAVNADTDKIEARKRAKNKQLGHEEDYALGKDCIMHGYMLKLGNPFLTQWQRRYFYLFPNRLEWRGEGESRQNLLTMEQILSVEETQIKDKKCILFRIKGGKQFVLQCESDPEFVQWKKELNETFKEAQRLLRRAPKFLNKPRSGTVELPKPSLCHRNSNGL 3NYO Chain:B ((2-531)) --ELENIVANTVLLKAREGGGGNRKGKSKKWRQMLQFPHISQCEELRLSL----ERDYHSLCERQPIGRLLFREFCATR-PELSRCVAFLDGVAEYEVTPDD-KRKACGRQLTQNFLSHTGPDLIPEVPRQLVTNCTQRLE-QGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQP-VTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKV---NSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDDHGHIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKNE-RYTFSPDWWALGCLLYEMIAGQSPFQ---KKIKREEVERLVKEVPEEYSERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGAGMLEPPFKPDPQAIYCKDVLDIEQFSTV--KGVELEPTDQDFYQKFATGSVPIPWQNEMVETECFQELNVFGLDG--------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3NYO.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 : 2389 13958 5.84 27.00 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 5.84 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.366

(partial model without unconserved sides chains): PDB file : Tito_3NYO.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3nyo-query.scw PDB file : Tito_Scwrl_3NYO.pdb: