Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----------------------------------------------------------------------------------------------------------------------------------------MTVLPPKINVPATPALDGVDIN--SLYDVNHGKLLGKGGFSEVLAVRHIPSGEIRALKVMMRSSLVGKK-AEMVAHEKEILRRTCHPAIITLHEAVQTPDKVYFALDLMN-EDLFEFIVR--NKTVNEDLSRAIMHQLMSGIAYLHEQSIVHRDIKPENILINVVVKSEANNAANDDSESATRVEGLQVMSDINSIPLEKLNVEVKIADFGLAKVVMEWDVCSTPCGTSFYIAPEVIRGIEEQGAKPLCTNQRLVKSVDVWSAGVVFYVLLCGRPPFHGQVRTGQDRRDLLRRIDHGVLFNPNHGWDSISAEAKNLILKMLDQESSKRI-----TSDEVLRHPFFTAHGYSRPVPASDARRRFMQMQQLSLRTKVPAAQSAEAQVKTMSPLSGPDGQQIKVSSSGGGSSSKGSSNSTGSFLSSIKDFFGHRSKHTSDISKEERQRMHAELAELQATVIAEEDQEGDVTSYKPSMPVKEAKPARTAVMNMKAKVGPDALRK 2ACX Chain:A ((14-532)) KARKGKSKKWRQMLQFPHISQCEELRLSLERDYHSLCERNPIGRLLFREFCATRPELSRCVAFLDGVAEYEVTPDDKRKACGRNLTQNFLSHTGPDLIPEVPRQLVTNCTQRLEQGPCKDLFQELTRLTHEYLSVAPFADYLDSIYFNRFLQWKWLERQPVTKNTFRQYRVLGKGGFGEVCACQVRATGKMYACKKLEKKRIKKRKGEAMALNEKQILEKVNSRFVVSLAYAYETKDALCLVLTLMNGGDLKFHIYHMGQAGFPEARAVFYAAEICCGLEDLHRERIVYRDLKPENILLDD--------------------HG-----------------HIRISDLGLAVHVPEGQTIKGRVGTVGYMAPEVVKN------------ERYTFSPDWWALGCLLYEMIAGQSPFQQR-KKKIKREEVERLVKEVPEEYS----ERFSPQARSLCSQLLCKDPAERLGCRGGSAREVKEHPLFKKLNFKRLGA------------------------------GMLEPPFKPDP----------------------------------QAIYCEPTDQDFYQKFATGSVPIPWQNEMVE----------------------TECFQELNVFGLDGS--

General information: TITO was launched using: RESULT: Template: 2ACX.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 : 1397 62259 44.57 179.42 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : 44.57 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2ACX.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ACX-query.scw PDB file : Tito_Scwrl_2ACX.pdb: