Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MADFFFNYYLMPFHLSVVALILLSVVETIGMYVGLRPSQLLKKIAPVWLT--HSPLLNVKFSKALIFVFLLINFSFAGYFLQLSFFAIQHYFITPFYLIIPALVIAIFFTVFMIHCLDQVIKPKLTHTNYNLLGRLATISSGSARPGFSAQARVRDEFGQLHYVQVEPEYGELELYSQVILIKVHKSHYVAKKISVSNDLFAPD---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4XGC Chain:C ((1-676)) MQPFYEEYRKAWNQINDHIADLQHRSYARTLEQLVDFVVGQAERDEVLPTAALLTGINQPDHLSQFTALTQRLHAQRAAMVCVLQSRDCATLKAAVETLVFGLVEDNAEVEQLRRSQCTMKQLKSWYTNNFDSEQKRRQLVVILPDFECFNASVLQDLILILSAHCGSLPFVLVLGVATAMTAVHGT---LPYHVS--SKIRLRVFQTQA-----APTGLNEVLDKVLLSPKYAFHLSGKTFKFLTHIFLYYDFSIHGFIQGFKYCLMEHFFGGNAFALCTD----------YSKALGRIKQ--LTHEDMETIRRL---------PSFRPYVEQINDCKRIIAVLTDDDYLKKKLPQ---LLRDCLLHFLLFRCSLE---FLTELVGDLPRCPLGKLRRELYVNCLNRAIISTPEYKECLQMLSFLSKDEFVAKVNRALERTEQFLVEEIAPLELGEACTAVLRPKLEAIRLAVDEVGRALQKTLQLIETQIVQDHLRALQDAPPIHELFVFSDIATVRRNIIGAPRAALHTALNNPHFPDLSVVYKLHLECGRMINLFDWLQAFRSVVPQIQARFTRAVAELQFLGYIKMSKRKTDHATRLTW

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 : 481 -36616 -76.12 -221.92 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain C : 0.55 3D Compatibility (PKB) : -76.12 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.55 QMean score : 0.238

(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: