Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MDSIEKVSKNLIEEAYLTKASDIHIVPRERDAIIHFRVDHALLKKRDMKKEECVRLISHFKFLSAMDIGERRKPQNGSLTLKLKEGNVHLRMSTLPTINEESLVIRVMPQYNIPSID--KLSLFPKTGATLLSFLKHSHGMLIFTGPTGSGKTTTLYSLVQYAKKHFNRNIVTLEDPVETRDEDVLQVQVNEKAGVTYSAGLKAILRHDPDMIILGEIRDAETAEIAVRAAMTGHLVLTSLHTRDAKGAIYRLLEFGINMNEIEQTVIAIAAQRLVDLACPFC-ENGCSSVYCRQSRNTRRASVYELLYGKNLQQCIQEAKGNHANYQYQTLRQIIRKGIALGYLTTNNYDRWVYHEKD 4PHT Chain:A ((120-439)) ---IIKLINAMLGEAIKEGASDIHIETFEKILSIRFRVDGVLRDVLSPSRKLAPLLVSRVKVMAKLDIAEKRVPQDGRISL-----AVDVRVSTMPSSHGERVVMRLLDK-NATRLDLHSLGMTPVNHDNFRHLISRPHGIILVTGPTGSGKSTTLYAGLQELNSN-ERNILTVEDPIEFDIDGIGQTQVNPKVDMTFARGLRAILRQDPDVVMVGEIRDLETAQIAVQASLTGHLVMSTLHTNTAVGAITRLRDMGIEPFLISSSLLGVLAQRLVRTLCQDCKEPYEADKEQRKLF------ALTLYRAKGCEKC------NHKGYRGRT----------------------------

General information: TITO was launched using: RESULT: Template: 4PHT.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 : 1393 -43877 -31.50 -143.39 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.78 3D Compatibility (PKB) : -31.50 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.78 QMean score : 0.507

(partial model without unconserved sides chains): PDB file : Tito_4PHT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4PHT-query.scw PDB file : Tito_Scwrl_4PHT.pdb: