Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKNIRIGSYHWMQTTNGQLSFKEKIKLIQKIMVPSILSSIKINYYRFQTGNDFDIGQIVIPDTQMIKIA---LEELESKASISIYNHSWRTYFWGAALGHLQNQQFDPESLLLASLFHDIGLTEQHMHSKGCQCFTYESAKQFEQKAKEYNFDDKKSEVIKDAICLHMNGYIEDSDPPEVVLLQQGASCDVISDNQYKLPLSFRNKILEKYPRNQFNKEFIKLINLERKNVPNSRTGLLYDLGLPLMIKSNLYNENLI 5LQC Chain:A ((4-216)) TKEQRILRYVQQNAKPGD--------------PQSVLEAIDTYCTQKEWAMNVGDAKGQIMDAVIREYSPSLVLELGAYCGYSAVRMA-RLLQPGARLLTMEMN--PDYAAITQQMLNFAGLQDK------VTILNGASQDLIPQLKKKYDVDTL------DMVFLDHW---KDRYLPDTLLLEK---CGLLRKGTVLLA---DNVIVPGT------PDFLAYVRGSSSFECTHYSSYLEYMKVVDGLEKAIYQGPS-

General information: TITO was launched using: RESULT: Template: 5LQC.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 : 1006 -20891 -20.77 -99.48 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : -20.77 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.159

(partial model without unconserved sides chains): PDB file : Tito_5LQC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5LQC-query.scw PDB file : Tito_Scwrl_5LQC.pdb: