Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNPATQDAAAAEEESPVVCTAKKYIFDLHSYAWKESDCLIRIPRPHKGMGHGGMRVCYAVEDVDEEGAGTPMVAKMF--RRNISDVVEKDYFNEGAAQCMCEEFANNFNRIHLTNIHKPNISFLQCYVVRIPRDS------IPVASQKKRTGFFSYKTQDTGEVMFVMEPMLSGKFTKYNSNYGETYREDKKAALTSSEAKRRTEVFEAAEAFSHFTLVESGGSMLVCDLQGVND----FLTDPQIHTEDGKGLGMG--NMGQEGIDKWIEKHECNEICRALGLQPLLGAVPSSTACAKEENLNLGLRAQLQSQNPVRLRDLVPLTKPLEEMTEAERIEYALKVSRLTD 4KUJ Chain:A ((66-264)) ---------------------------------------------------GGERLAFRAIN----GRGDRIVLKRFFQQRPLTMLLETI-----ERQLICIYLANIFNKL---NVSPNKLHFLPNYLF-IPSPTKDLDGKILTLEQTEQAVAATCRTPN------FVEPYLSGYFIKYIDNNGWI---------------NESEFHSTLHAFAHWTWVHTKGALLICDIQGVNANNKFYLTDPALHHIDQNKFIYSETNLGEVGISQFFRTHQCNAICQGLHL-----------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4KUJ.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 : 809 -8985 -11.11 -48.57 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : -11.11 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.386

(partial model without unconserved sides chains): PDB file : Tito_4KUJ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4KUJ-query.scw PDB file : Tito_Scwrl_4KUJ.pdb: