Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --MLTDLTFIHAADLHLDSPFYGI-SHLPEPIFARIKESTFASVRHMIDAAVREHVDFILLAGDLFDEANRSLKAQLFLKKQFERL---------------RECGISVYVIFGNHDHLGGE-----WTPIEWPENVHIFS-----SAVPEEKSFFKEGRRIASIYGFSYQARALMEN------QA-ARYRRSTDAPFHIGMLHGTLSGSEGHDPYCPFTHDDLVKSGMDYWALGHIHKRQVLSAEHPA----VIYPGNTQARHI--KETGDKGYYLVHVTNGD-I-SYEFQRAHDVLWEKAAVDVTEAKNMTALFQMVEDTFSKLRKKGSPVC-VRLVLQGTAPEWLLEAPKGTLDEFLEALQEQEAEE-ERFVWPLRLDDETENEANLTNLDPFFGGLFEDIDRSDLSDVLEGLERHPVYRRHADRFSQEEVKEIKEQAQIILKRQLKVLDT 3T1I Chain:A ((27-420)) LDDENTFKILVATDIHL-----GFMEKDAVR-----GNDTFVTLDEILRLAQENEVDFILLGGDLFHENKPSRKTLHTCLELLRKYCMGDRPVQFEILSDQLNISIPVFSIHGNHDDPTGADALCALDILSCAGFVNHFGRSMSVEKIDISPVLLQKGSTKIALYGLGSIPDERLYRMFVNKKVTMLRPKEDENSWFNLFVIHQNRSKHGSTN----FIPEQFLDDFIDLVIWGHEHECKIAPTKNEQQLFYISQPGSSVVTSLSPGEAVKKHVGLLRIKGRKMNMH-------------------------------KIPLHTVR----QFFMEDIVLANHPDI--FNPDNPKVTQAIQSFCLEKIEEMLENAERERLGNSHQPEKPLVRLRVDYSGGFEPFSV--------------------LRFSQKFVDRVANPKDIIHFFR------

General information: TITO was launched using: RESULT: Template: 3T1I.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 : 1701 -151574 -89.11 -457.93 target 2D structure prediction score : 0.55 Monomeric hydrophicity matching model chain A : 0.66 3D Compatibility (PKB) : -89.11 2D Compatibility (Sec. Struct. Predict.) : 0.55 1D Compatibility (Hydrophobicity) : 0.66 QMean score : 0.318

(partial model without unconserved sides chains): PDB file : Tito_3T1I.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3T1I-query.scw PDB file : Tito_Scwrl_3T1I.pdb: