Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTAQMKTNASAKKAVNSPNHIYDTFIVGAGISGIAAAIRLDQVGYTNYKIIEKAGRVGGTWRENTYPGCGCDVPSALYSYSFAPS----AKWGHLFARQPEILSYLEDVSNEFNITSKIEFYNELLNAAWDESRHLWVLDTTT-GQYLSRTVIFATGPITEAQIPRLEGLDTFTGEMFHSAKWNHD-YDLTGKRIAVIGTGASAIQFVPQIQPKAKELFVFQRTAPWVLPKPDTDLGELSKS----------IIAKYPAIQASWRKS--------------VA---LTL-----NAINFGLRN-PLALKPVNVLGKQLLKLQIADPELRKNVTP-NFDIGCKRILFANNYYPALQAPNTTLIP---HGLVKVEGNTVIAANGERHEVDVIIWGTG-FE--VSHPPIGKRVFNEKGQRLNDLWKNSSPEAYLGTNIENVPNAFLVLGPNVLVY-DSFIGLAEAQLDYIVDGLLKIKNKGISKLNVKADVIKKHNDLVQKHLQTTVFNSGGCKSYYLDANGRNFAAWPWSLKKLKQRLKKLDLKDYEVTYQMSKTH 4AP1 Chain:A ((20-540)) -------------------TSYDVVVVGAGIAGLYAIHRFRSQ-GLTVRAFEAASGVGGVWYWNRYPGARCDVESIDYSYSFSPELEQEWNWSEKYATQPEILAYLEHVADRFDLRRDIRFDTRVTSAVLDEEGLRWTVRTDRGDEVSARFLVVAAGPLSNANTPAFDGLDRFTGDIVHTARWPHDGVDFTGKRVGVIGTGSSGIQSIPIIAEQAEQLFVFQRSANYSIPAGNVPLDDATRAEQKANYAERRRLSRESGGGSPHRPHPKSALEVSEEERRAVYEERWKLGGVLFSAAFPDQLTDPAANDTARAFWEEKIRAVVDDPAVAELLTPKDHAIGAKRIVTDSGYYETYNRDNVELVDLRSTPIVGMDETGIVT-TGAHYDLDMIVLATGFDAMTGSLDKL--EIVGRGGRTLKETWAA-GPRTYLGLGIDGFPNFFNLTGPGSPSVLANMVLHSELHVDWVADAIAYLDARGAAGIEGTPEAVADWVEECRNRAEASLLN--SANSWYLGA---VFMPFLGGFGVYREIITEVAESG-----------

General information: TITO was launched using: RESULT: Template: 4AP1.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 : 2555 -1983 -0.78 -4.25 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.76 3D Compatibility (PKB) : -0.78 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.76 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_4AP1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AP1-query.scw PDB file : Tito_Scwrl_4AP1.pdb: