Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MVSTKTQIAGFEFDNCLMNAAGVACMTIEELEEVKNSAAGTFVTKTATLDFRQGNPEPRYQDVPLGSINSMGLPNNGLDYYLDYLLDLQEKESNRTFFLSLVGMSPEETHTILKKV----QESDFRGLTELNLSCPNVPGKPQIAYDFETTDRILAEVFAYFTKPLGIKLPPYFDIVHFDQAAAIFNKYPL-KFVNCVNSSGNGLYI--EDESVVIRPKNGFGGIGGEYIKPTALANVHAFYQRLNPQIQIIGTGGVLTGRDAFEHILCGASMVQVGTTLHKEGVSAFDRITNELKAIMVEKGYESLEDFRGKLRYID 2DJL Chain:B ((2-313)) -MCLKLNLLDHVFANPFMNAAGVLCCTEEDLRCMTASSSGALVSKSCTSAPRDGNPEPRYMAFPLGSINSMGLPNLGFDFYLKYASDLHDY-SKKPLFLSISGLSVEENVAMVRRLAPVAQEKGV--LLELNLSCPNVPGKPQVAYDFEAMRTYLQQVSLAYGLPFGVKMPPYFDIAHFDTAAAVLNEFPLVKFVTCVNSVGNGLVIDAESESVVIKPKQGFGGLGGKYILPTALANVNAFYRRC-PDKLVFGCGGVYSGEDAFLHILAGASMVQVGTALQEEGPGIFTRLEDELLEIMARKGYRTLEEFRGRVKTI-

General information: TITO was launched using: RESULT: Template: 2DJL.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 : 1856 -62862 -33.87 -206.10 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain B : 0.88 3D Compatibility (PKB) : -33.87 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.88 QMean score : 0.521

(partial model without unconserved sides chains): PDB file : Tito_2DJL.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2DJL-query.scw PDB file : Tito_Scwrl_2DJL.pdb: