Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKHLTTMSELSTEEIKDLLQTAQE----LKSGKTDNQLTGKFAANLFFEPSTRTRFSFEVAEKKLGMNVLNL-DGTSTSVQKGETLYDTIRTLESIGVDVCVIRHSEDEYYEELVSQVN-IPILNAGDGCGQHPTQSLLDLMTIYEEFNTFKGLTVSIHGDIKHSRVARSNAEVLTRL-GARVLFSGPSEWQDEENT----------FGTYVSMDEAVESSDVVMLLRIQNERHQSAVSQEGYLNKYGLTVERAERMKRHAIIMHPAPVNRGVEIDDSLVESEKSRIFKQMKNGVFIRMAVIQRALQTNVKRGEAAYVISH 2RGW Chain:B ((1-303)) MKHLISMKDIGKEEILEILDEARKMEELLNTKRPLKLLEGKILATVFYEPSTRTRLSFETAMKRLGGEVITMTDLKSSSVAKGESLIDTIRVISGYA-DIIVLRHP-SEGAARLASEYSQVPIINAG----QHPTQTLLDLYTIMREIGRIDGIKIAFVGDLKYGRTVHSLVYALSLFENVEMYFVSPKELRLPKDIIEDLKAKNIKFYEKESLDDLDDDIDVLYVTRIQKERFPDPNEYEKVKGSYKIKREYVEGKK--FIIMHPLP--RVDEIDYDVDDLPQAKYFKQSFYGIPVRMAILKKLIEDN------------

General information: TITO was launched using: RESULT: Template: 2RGW.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 : 1437 -176822 -123.05 -627.03 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain B : 0.78 3D Compatibility (PKB) : -123.05 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.565

(partial model without unconserved sides chains): PDB file : Tito_2RGW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2RGW-query.scw PDB file : Tito_Scwrl_2RGW.pdb: