Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------MTDKFSRWSTLFSQNLSRDWKKILIWLVGVTAFSG---------GFVPAFEELTSGQGLAGLYETLQ--NPAMIAMVGPTPASNAAEYTLGAMYANEMLLFCSLFAAVISVLHVVSQTRKKEELGLIELIRSFRVGRQANSLAVI-------AESILINLLLAISISCTMIFFQADSITAEGAWLFGLSVGSMGILGSAVALFAAQLMPSSASSNGLSLAFLGGLYLLRAITDVADS-----------SLSMWNPLGWSYLTYPFTTNNWIPLLYLFLFSLILIISSFVLEEHRDLNTGYIPEREGKPYAKRSLLSLRGLLFYLNKGMTISWLITFGLMGAAYGSIYGNMQQFLESNDLMKQMFIQSGVSIEKNFTSTIMVVLICLAAILPIASINR-LFTEETHGRMNQLFATKISRNQLYWTNMLLAILFAILAILISSGALGLSALASMKDA-KDMDLLM-----FLKAGFNFLPAVLVFIGISG----------FLFGWLPRIGKLAY--IYLAYSFALNY-----FGGILDLPEWFSKTA-VPSWVPRMPNDSFDLSVFLTLSCISLALFVLGSIGYRRRDLLEG----- 4XGC Chain:C ((1-676)) MQPFYEEYRKAWNQINDHIADLQHRSYARTLEQLVDFVVGQAERDEVLPTAALLTGINQPDHLSQFTALTQRLHAQRAAMVCVLQSRDCAT------LKAAVETLVFGLVEDNAEVEQLRRSQCTMKQLKSWYTNNFDSEQKRRQ---LVVILPDFECFNASVLQDLILILSAHCG-------------------SLPFVLVLGVATAMTAVHGTLPYHVSSKIRLRVFQTQAAPTGLNEVLDKVLLSPKYAFHLSGKTFKFLTHIFLYYDFSIHGFIQGFKYCLMEHFFGGNAFALCTDYSKALGRIKQ-----LTHEDMETIRRLPSFRPYVEQINDCKRIIAVLTDDDYLKKKLPQLLRDCLLHFLLFRCSLEFLTELVGDLPRCPLGKLRRELYVNCLNRAIISTPEYKECLQMLSFLSKDEFVAKVNRALERTEQFLVEEIAPLELGEACTAVLRPKLEAIRLAVDEVGRALQKTLQLIETQIVQDHLRALQDAPPIHELFVFSDIATVRRNIIGAPRAALHTALNNPHFPDLSVVYKLHLECGRMINLFDWLQAFRSVVPQIQARFTRAVAELQFL--GYIKMSKRKTDHATRLTW

General information: TITO was launched using: RESULT: Template: 4XGC.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain C - contact count / total energy / energy per contact / energy per residue : 2193 -177069 -80.74 -353.43 target 2D structure prediction score : 0.54 Monomeric hydrophicity matching model chain C : 0.65 3D Compatibility (PKB) : -80.74 2D Compatibility (Sec. Struct. Predict.) : 0.54 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.216

(partial model without unconserved sides chains): PDB file : Tito_4XGC.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4XGC-query.scw PDB file : Tito_Scwrl_4XGC.pdb: