Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSHSQEKIALITGASSQGDIGTAICRKLASQGIHIFFTHWNSDTAWIEEFQQEILRMGVRCEAMKIDLSDAHAAFTIHEKISDKLGYPSILINNAAHSASDNYVSLDAKSLDEHYAVNMRSNFLLCVEFARRFKKSNLISGRIINMTSGQDLGPL--PGELAYAATKGAISAFTRSLSQELAPLGITVNAVNPGPTDSTWMTDEI----RNFLSPKFPMGRIGTPDDAARMIAFLASDEAEWITGQIIHSEGGFIRG 4BNV Chain:D ((26-266)) ----QGKVALVTGASR--GIGQAIALELGRLGAVVIGTATSASGA--EKIAETLKANGVEGAGLVLDVSSDESVAATLEHIQQHLGQPLIVVNNAG---------MKDDEWFDVVNTNLNSLYRLSKAVLRGMTKARW--GRIINI--GSVVGAMGNAGQTNYAAAKAGLEGFTRALAREVGSRAITVNAVAPGFID-TDMTRELPEAQREALLGQIPLGRLGQAEEIAKVVGFLASDGAAYVTGATVPVNGGM---

General information: TITO was launched using: RESULT: Template: 4BNV.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 1242 -146468 -117.93 -648.09 target 2D structure prediction score : 0.73 Monomeric hydrophicity matching model chain D : 0.79 3D Compatibility (PKB) : -117.93 2D Compatibility (Sec. Struct. Predict.) : 0.73 1D Compatibility (Hydrophobicity) : 0.79 QMean score : 0.592

(partial model without unconserved sides chains): PDB file : Tito_4BNV.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4BNV-query.scw PDB file : Tito_Scwrl_4BNV.pdb: