Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MADLEAVLADVSYLMAMEKSKATPAARASK---RIVLPEPSIRSVMQKYLAERNEITFDKI-FNQKIGFLLFKDFCLNEINEAVPQVKFYEEIKEYEKLDNEEDRLCRSRQIYDAYIMKEL-LSCSHPFSKQAVEHVQSHLSKKQVTSTLFQPYIEEICESLRGDIFQKFMESDKFTRFCQWKNVELNIHLTMNEFSVHRIIGRGGFGEVYGCRKADTGKMYAMKCLDKKRIKMKQGETLALNERIMLSLVSTGDCPFIVCMTYAFHTPDKLCFILDLMNGGDLHYHL-SQHGVFSEKEMRFYATEIILGLEHMHNRFVVYRDLKPANILLDEHGHARISDLGLACDF--SKKKPHASVGTHGYMAPEVLQKGTAYDSSADWFSLGCMLFKLLRGHSPFRQHKTKDKHEIDRMTLTVNVELPDTFSPELKSLLEGLLQRDVSKRLGCHGGGSQEVKEHSFFKGVDWQHVYLQKYPPPLIPPRGEVNAADAFDIGSFDEEDTKGIKLLDCDQELYKNFPL-VISERWQQEVTETVYEAVNADTDKIEARKRAKNKQLGHEEDYALGKDCIMHGYMLKLGNPFLTQWQRRYFYLFPNRLEWRGEGESRQNLLTMEQILSVEETQIKDKKCILFRIKGGKQFVLQCESDPEFVQWKKELNETFKEAQRLLRRAPKFLNKPRSGTVELPKPSLCHRNSNGL 3C51 Chain:B ((31-522)) --------------------------RDRKYLARLKLPPLSKCEALRESL----DLGFEGMCLEQPIGKRLFQQF-LRTHEQHGPALQLWKDIEDYDTADDAL-RPQKAQALRAA---PQAQLFCSF-LDAETVAR-----ARA----GLFQPLLRAVLAHLGQAPFQEFLDSLYFLRFLQWKWLEAQ-PMGEDWFLDFRVLGRGGFGEVFACQMKATGKLYACKKLNKKRLKKRKGYQGAMVEKKILAKVHS---RFIVSLAYAFETKTDLCLVMTIMN--DIRYHIY------QEPRAIFYTAQIVSGLEHLHQRNIIYRDLKPENVLLDDDGNVRISDLGLAVELKAGQTKTKGYAGTPGFMAPELLL-GEEYDFSVDYFALGVTLYEMIAARGPFRARGE-ENKELKQRV-------PDKFSPASKDFCEALLQKDPEKRLGFRDGSCDGLRTHPLFRDISWRQLEAGMLTPPFVPDSRT-----------------KGVAFEKADTEFFQEFASGTCPIPWQEEMIET--------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3C51.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 : 2045 27102 13.25 61.46 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : 13.25 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.310

(partial model without unconserved sides chains): PDB file : Tito_3C51.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3c51-query.scw PDB file : Tito_Scwrl_3C51.pdb: