Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQLLRYAKDYRKQIILGPFFKFLEAVFELVLPLMMASLIDNGLKMNDRGKIIEMGLWMVAMSVIGLICAIICQYYASVASQGFGTELRNQLIKKINTFSHNELNHFGTDTLITRMTNDINQLQLALAMVIRLLIRAPFLSIGSVVMAFVIDWEVGLFFLALLPIFSIILFFIIKKTVPLYQKVQEKLDQLNEHVSQNLSGVRVIRAFAQTKKETEKFDKSTNDLANNYLRVSNISALLSPATTLIMNVGIICLLTVGGIKVN-IGSLQQGQVLALINYMNQMLLALIVVSNLVVIFTRAEASGNRVKEVLDTENSILEAEVSTTPDFSSEAIIAFDHVDFRYTPDSGLSLQNITFQLKRNTVLGIIGPTGSGKTTLTQLIPRFYDVSSGTVIMDGMDVRSWQLDHLRQQIALVPQTSVLFTGTIRENLQWGKKDATEKECWEALKIAQAEEFVRQLPNGLDTKVMENGKNFSGGQKQRLTIARALIAKPALLILDDSLSALDYQTDLDLRKALQTYL-GSTVIIISQRVRSIQEAHHILVMDQGKIAAQGTHEELLAQSAEYQEIVASQEEE 5MKK Chain:B ((10-570)) -RRLWPYVGRYRWRYLWAVLAGLVSIFFFVLTPYFLRLAVDAVQAGRG---FGVYALAIVASAALSGLLSYAMRRLAVVASRQVEYDLRRDLLHHLLTLDRDFYHKHRVGDLMNRLNTDLSAVREMVGPGILMGSRLSFLVLLAFLSMYAVNARLAFYLTLILPGIFLAMRFLLRLIDRRYREAQEVFDRISTLAQEAFSGIRVVKGYALERRMVAWFQDLNRLYVEKSLALARVEGPLHALLGFLMGFAFLTVLWAGGAM-VVRGELSVGELVQFNAYLAQLTWPILGLGWVMALYQRGLTSLRRLFELLDEKPAIRDEDPLPLALEDLSGEVRFEGVGLKRDG--RWLLRGLTLTIPEGMTLGITGRTGSGKSLLAALVPRLLDPSEGRVYVGGHEARRIPLAVLRKAVGVAPQEPFLFSETILENIAFGLDEVDRERVEWAARLAGIHEEILAFPKGYETVLGERGITLSGGQRQRVALARALAKRPKILILDDALSAVDAETEARILQGLKTVLGKQTTLLISHRTAALRHADWIIVLDGGRIVEEGTHESLLQAGGLYAEMDR-----

General information: TITO was launched using: RESULT: Template: 5MKK.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 : 2420 -146538 -60.55 -262.14 target 2D structure prediction score : 0.70 Monomeric hydrophicity matching model chain B : 0.77 3D Compatibility (PKB) : -60.55 2D Compatibility (Sec. Struct. Predict.) : 0.70 1D Compatibility (Hydrophobicity) : 0.77 QMean score : 0.429

(partial model without unconserved sides chains): PDB file : Tito_5MKK.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MKK-query.scw PDB file : Tito_Scwrl_5MKK.pdb: