Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFDTLTERLTQSLRNVTGSGQLTEDNIKDTLREVRMALLEADVALPVTREFIAKVKEEALGQEVMTQLSPGQAFVKIVYDELTKMMGEANETLDLSAKPPVVVLLAGLQGAGKTTTAAKLARFLKERQKKKVMTVSADVYRPAAIKQLETVSAEVGAGFIPSDPSEKPIDIVNRAIEQAKIQFADVLIVDTAGRLHVDEDMMDEIKELHAAVKPTETLFVVDAMTGQDAANTAKAFNDALALTGVILTKTDGDARGGAALSVRAITGKPIKFLGMGEKLDALEPFHPDRVAQRILGMGDVLSLVEEVERKIDKEKAEKMAKKLQKGGSFNFEDMLMQFEQMKKMGGMMGFLDKLPGMSSAGIQQAIEQANPEKQVKKMEAIIQSMTIKERRNPDLM-----NPSRKKRIAAGCGMDVAEVNKLIKQQAQMAKMMKKFANPSGMSKMMRSLGNMQKQFGGGGGMGPLFGNNDQKK----------------- 2J37 Chain:W ((8-488)) ------RKITSALRSLSNATIINEEVLNAMLKEVCTALLEADVNIKLVKQLRENVKSAIDLEEMASGLNKRKMIQHAVFKELVKLVDPGVK--AWTPTKGNVIMFVGLQGSGKTTTCSKLAYYYQR-KGWKTCLICADTFRAGAFDQLKQNATKARIPFYGSYTEMDPVIIASEGVEKFKNENFEIIIVDTSGRHKQEDSLFEEMLQVANAIQPDNIVYVMDASIGQACEAQAKAFKDKVDVASVIVTKLDGHAKGGGALSAVAATKSPIIFIGTGEHIDDFEPFKTQPFISKLLGMGDIEGLIDKVN-ELKLDDNEALIEKLKHG-QFTLRDMYEQFQNIMKMGPFSQILGMIPGFGTDFMSKG-NEQESMARLKKLMTIMDSMNDQELDSTDGAKVFSKQPGRIQRVARGSGVSTRDVQELLTQYTKFAQMVKKMGGIKGLFKGGDMSKNVSQSQMAKLNQQMAKMMDPRVLHHMGGMAGLQSMMRQFQ

General information: TITO was launched using: RESULT: Template: 2J37.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain W - contact count / total energy / energy per contact / energy per residue : 2100 -87395 -41.62 -191.24 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain W : 0.78 3D Compatibility (PKB) : -41.62 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.478

(partial model without unconserved sides chains): PDB file : Tito_2J37.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2J37-query.scw PDB file : Tito_Scwrl_2J37.pdb: