Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFGKRHYRPQVDQMDCGVASLAMVFGYYGSYYFLAHLRELAKTTMDGTTALGLVKVAEEIGFETRAIKADMTLFDLPDLTFPFVAHVLKEGKLLHYYVVTGQDKDSIHIADPDPGVKLTKLPRERFEEEWTGVTLFMAPSPDYKPHKEQKNGLLSFIPILVKQRGLIANIVLATLLVTVINIVGSYYLQSIIDTYVPDQMRSTLGIISIGLVIVYILQQILSYAQEYLLLVLGQRLSIDVILSYIKHVFHLPMSFFATRRTGEIVSRF-TDANSIIDALASTILSIFLDVSTVVIISLVLFSQNTNL-FFMTLLALPIYTVIIFAFMKPFEKMNRDTMEANAVLSSSIIEDINGIETIKSLTSESQ---RYQKIDKEFVDYLKKSFTYSRAESQQKALKKVAHLLLNVGILWMGAVLVMDGKMSLGQLITYNTLLVYFTNPLENIINLQTKLQTAQVANNRLNEVYLVASEFEEKKTVED-------LSLMKGDMTFKQVHYKYGYGRDVLSDINLTVPQGSKVAFVGISGSGKTTLAKMMVNFYDPSQGEISLGGVNLNQIDKKALRQYINYLPQQPYVFNGTILENLLLGAKEGTTQEDILRAVELAEIREDIERMPLNYQTELTSDGAGISGGQRQRIALARALLTDAPVLILDEATSSLDILTEKRIVDNL--IALDKTLIFIAHRLTIAERTEKVVVLDQGKIVEEGKHADLLAQGGFYAHLVNS 5MKK Chain:B ((27-568)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------VLAGLVSIFFFVLTPYFLRLAVDAV---QAGRGFGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRF-LLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVE---KSLALARVEGPLHALLGFLMGFAFLTVLWAGGAMVVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFEL------LDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRD-GRWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDE-VDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEM---

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2238 -75510 -33.74 -143.01 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.71 3D Compatibility (PKB) : -33.74 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.425

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: