Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVDEMVLITQQWLNDTYSGKHGYNPVEESGKTGWDTIYGLTRALQIELGISEPADNFGPTTQRLFKPLKRQAP--DSKPSNMNFILQGALWCKGFNPGGFTGVFYEKTENAVKEFQKAAGLTTQDGIVTTLIMKA-LLDMSAFKLVSGGDSRIRQIQQNLNRDYNDYIGLMPCDGLYGRDTNKALIYALQKEEGMSTSVANGFFGNGTTSLCPTLTPGDSRTGFVLIVQYALYCNGKSFDPGEFDGKYGVGVVSAVKAFQ--EFMCLPQTGYADMPTIKALLSSSGDTTRTASACDTATIITAEKAQTLRNNGYKTVGRYLTGNVRTSSGLTSKALTSKELAVILDAGLKVFPIYQDGGYESSYFVKDQGTRDAYSAASAARRLGFPSGTTIYFAVDFDAYDYEVTDKIIPYFQEIKSAFTKMQTFSTAPKYEIGVYGPRNICIRTSEAGLTKYSFVANMSTGFSGNLGYPMPNNWAFDQFYEGTIGSGSGSIGIDKDGYSGRDSGASNVNPPSDPVYDARLRTLTDILSTIPALENLTSLANAMFEFDTTETIFTSPELDIILSTSLLATIPSEGSPNTITITNGKPGAYITGLLGDTQTSLTASQIDSYQNLLNSLSLSVRNGYLEVYVNPTAESLNIQIKIYTPDIPVGDNVTTGLTTTITFKIKTYKGVPVTSPESELALDWPSYDQYLFPVVGVAALLLIGNMGSDLTNNKGVKVATALSAMLLAIFAYYTS 4XDN Chain:A ((24-640)) -------------GDKLSISQVYHLAQEYRDHAYSIANKIGS----EEGLKQYYGLM-NMSIQMFQLLKTKCTLSVLEDSKVTFEMVELLIQETYN--------FDLAELYISSLKERLQTHQSDTDLVEEIMRCEFLLLHDLPLMRDSKFHYKIALRNCNELVQYMVNLQDELYQNWASVFQYVGVMLCIKLKQHRRVKTSFHGLLSQ------CREKSQWKWFLNLCYVNYLLNERFPIP----------EDALQELRSTELHTVGPELYAWKLALEMVIQLCKDGNITDHLNEFKNFFDTNKQSLVTNEGKGCVIKIMPRIALKVE--LPMIFHYKELKNILLLLQSVSYIVN--CYDEKGNFSRKFLPKVYSTTQKLIKNIAAGGVS-MNELDSRIQTYKSILEFCEFYKVWEQTLLKGAV----------VLGP--------SPG--YVRLLQAMKVQFEGGGA-----VEEYTRLAQSGGTSSEVKMISLLNCYTVQAARVSRCSG------DKQGELVEQCNKVWLQVEKLLQETDLQF----------NPIWECTVTILWLFSHFEPFSWNPLPCSDKQRAEYVSKLREFYSSNKFVNRFKLKKALLLQILVNYLGGRMLEH---------------------DLGEIYAISAKCFDMCRQQGG--------------------MRKVQYVIGIWHLMNCTVAMRGKDVALTNAKLEALVKQITS----

General information: TITO was launched using: RESULT: Template: 4XDN.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 : 2551 -220481 -86.43 -368.08 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : -86.43 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.160

(partial model without unconserved sides chains): PDB file : Tito_4XDN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XDN-query.scw PDB file : Tito_Scwrl_4XDN.pdb: