Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence-MNTVHAKGNVLNK--IGIPSHMV-------------WGYIGVVIFMVGDGLEQGWLSPFLVDHGLSMQQSASLFTMYGIAVTISAWLSGTFVQ-TWGPRKTMTVGLLAFILGSAAFIGWAIPHMYYPALLGSYALRGLGYPLFAYSFLVWVS---------YSTSQNILGKAVGWFWFMFTCGLNVLGPFYSSYAVPAFGEINTLWSALLFVAAGGIL---ALFFNKDKFTPIQKQDQPKWKELSKAFTIMFENPKVGIGG--VVKTINAIGQFGFAIFLPTYLARYG------------YSVSEWLQIWGTLFFVNIVFNIIFGAVGDK------LGWRNTVMWFGGVGCG---IFTLALYYTPQLIGHQYWVLMIIACCYGAALAGYVPLSALLPTLAPDNKGAAMSVLNLGSGLCAFIAPGIVSLFIGPLGAGGVIWIF-AALYFFSAFLTRFLTISEQSTDVYTEERFVRENVQTNFDKTVKQ---------------------
4IKW Chain:A ((3-494))SIDKQQIAASVPQRGFFGHPKGLFTLFFTEFWERFSYYGMRAILVYYMYYEVSKGGL-------GLDEHLALAIMSIYGALVYMSGIIGGWLADRVFGTSRAVFYGGLLIMAGHIALA---IPGG-VAALFVSMALIVLGTGLLKPNVSSIVGDMYKPGDDRRDAGFSIFYMGINLGAFLAPLVVGTAGMKYNFHLGFGLAAVGMFLGLVVFVATRKKNLGLAGTYVPNPLTPAEKKKAAAIMAVGAVVIAVLLAILIPNGWFTVETFISLVGILGIIIPIIYFVVMYRSPKTTAEERSRVIAYIPLFVASAMFWAIQEQGSTILANYADKRTQLDVAGIHLSPAWFQSLNPLFIIILAPVFAWMWVKLGKRQPT-IPQKFALGLLFAGLSFIVILVPGHLSGG-----GLVHPIWLVLSYFIVVLGELCLSPVGLSATTKLAPAAFSAQTMSLWFLSNAAAQAINAQLVRFYTPENETAYFGTIGGAALVLGLILLAIAPRIGRLMKG


General information:
TITO was launched using:
RESULT:

Template: 4IKW.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 : 1838 -196292 -106.80 -469.60
target 2D structure prediction score : 0.56
Monomeric hydrophicity matching model chain A : 0.67

3D Compatibility (PKB) : -106.80
2D Compatibility (Sec. Struct. Predict.) : 0.56
1D Compatibility (Hydrophobicity) : 0.67
QMean score : 0.230

(partial model without unconserved sides chains):
PDB file : Tito_4IKW.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4IKW-query.scw
PDB file : Tito_Scwrl_4IKW.pdb: