Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MQLQVMNSPFNQEQAELLNRLLPTLTESQKIWLSGYLSAQSVSAQEAAGTPAAAVSAEAPAPAVSKEVTVLYGSQTGNAQGLAENAGKQLEQSGFQVTVSSMSDFKP---NQLKKVTNLLIV--VSTHGEGEPPDNALSFHEFLHGRRAPKLEDLRFSVLALGDSSYEFFCQTGKEFDQRLEELGGKRISP--RVDCDLDYDEPAAEWLEGVLKGLNEAGGGSA---------APAPAAASQTGESS-----------YSRTNPFRAEVLENLNLNGRGSNKETRHVELSLEGSGLTYEPGDSLGVYPENDPELVELLLKEMNWDPEEIVTLN----KQGDVRPL------KEALISHYEIT------VLTKPLLEQAAQLTGNDELRELLAPGNEENVKAYIEG-----RDLLDLVRDYGPFSVSAQEFVSILRKMPARLYSIASSLSANPDEVHLTIGAVRYDAH-GRERKGVCSILCAERLQPGDT-----LPVYVQHNQNFKLPKDPETPIIMVGPGTGVAPFRSFMQER---EETGAE-GKAWMFFGDQHFVTDFLYQTEWQNWLKDGVLTKMDVAFSRDTEEKVYVQHRMLEHSAELFEWLQEGAAVYICGDEKHMAHDVHNTLLEIIEKEGNMSREEAEAYLADMQQQKRYQRDVY 3QE2 Chain:B ((19-617)) -----------------------------------------------------------------RNIIVFYGSQTGTAEEFANRLSKDAHRYGMRGMSADPEEYDLADLSSLPEIDNALVVFCMATYGEGDPTDNAQDFYDWLQETDV-DLSGVKFAVFGLGNKTYEHFNAMGKYVDKRLEQLGAQRIFELGLGDDDGNLEEDFITWREQFWLAVCEHFGVEATRQYELVVHTDIDAAKVYMGEMGRLKSYENQKPPFDAKNPFLAAVTTNRKLN-QGTERHLMHLELDISDSKIRYESGDHVAVYPANDSALVNQLGKILGADLDVVMSLNNLDEESNKKHPFPCPTSYRTALTYYLDITNPPRTNVLYE--LAQYASEPSEQELLRKMASSSGEGKELYLSWVVEARRHILAILQDCPSLRPPIDHLCELLPRLQARYYSIASSSKVHPNSVHICAVVVEYETKAGRINKGVATNWLRAKEPVGENGGRALVPMFVRKSQ-FRLPFKATTPVIMVGPGTGVAPFIGFIQERAWLRQQGKEVGETLLYYGCRRSDEDYLYREELAQFHRDGALTQLNVAFSREQSHKVYVQHLLKQDREHLWKLIEGGAHIYVCGDARNMARDVQNTFYDIVAELGAMEHAQAVDYIKKLMTKGRYSLDVW

General information: TITO was launched using: RESULT: Template: 3QE2.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 : 2904 149684 51.54 279.78 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.75 3D Compatibility (PKB) : 51.54 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.75 QMean score : 0.539

(partial model without unconserved sides chains): PDB file : Tito_3QE2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3QE2-query.scw PDB file : Tito_Scwrl_3QE2.pdb: