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



Input alignment information:
Query sequence------------MSKTVVLAEKPSVGRDLARVL----KCHKKG----NGYLEGDQYIVTWALGHLVTLAD----PEGYGKEFQSWRLEDLPIIPEPLKLVVIKKTGKQFNAVKSQLTRKDVNQIVIATDAGREGELVARWIIEKANVRKP---IKRLWISSVTDKAIKEGFQKLRSGKEYENLYHSAVARAEADWIVGINATRALTTKFNAQ---------LSCGRVQTPTLAMIAKREADIQAFTPVPYYGIRAAVDG----MTLTWQDKKSKQTRTFNQDVTSRLLKNL-QGKQAVVAELKKTAKKSFAPALYDLTELQRDAHKRFGFSAKETLSVLQKLYEQHKLVTYPRTDSRFLSSDIVPTLKDRLEGMEVKP-YAQYVSQIKKRG-IKSHKGYVNDAKVSDHHAIIPTEEPLVLSSLSDKERKLYDLIAKRFLAVLMPAFEYEETKVIAEIGGETFTAKGKTVQSQGWKAVYDMAEEDDEQEDDRDQTLPALQKGDTLAVRTLTETSGQTKPPARFNEGTLLSAMENPSAFMQGEEKGLVKTLGETGGLGTVATRADIIEKLFNSFLIEKKGQDIFI-TSKGKQLLQLVPE---DLKSPALTAEWEQKLSAIAAGKLKSAVFIKDMKAYAHQTVKEIKNSSQTFRHDNITGTACPECGKMMLKVNGKRGTMLVCQDRECGSRKTIARKTNARCPNCHKRMELRGQGEGQTFACVCGHREKLSVFEKRKNKDKARATKRDVSSYMKKQNKDEPINNALAEQLKKL-GLDK
4CGY Chain:A ((22-640))FSRAAMEMALRGVRKVLCVAEKNDAAKGIADLLSNGRMRRREGLSKFNKIYEFDYHLYGQNVTMVMTSVSGHLLAHDFQMQFRKWQSCNPLVLFEAEIEKYCPENFVDIKKTLERETRQ-CQALVIWTDCDREGENIGFEIIHVCKAVKPNLQVLRARFSEITPHAVRTACENLTEPD--QRVSDAVDVRQELDLRIGAAFTRFQTLRLQRIFPEVLAEQLISYGSCQFPTLGFVVERFKAIQAFVPEIFHRIKVTHDHKDGIVEFNWKRH-----RLFNHTACLVLYQLCVEDPMATVVEVRSKPKSKWRPQALDTVELEKLASRKLRINAKETMRIAEKLYTQGY-ISYPRTETNIFPRDL--NLTVLVEQQTPDPRWGAFAQSILERGGPTPRNGNKSDQA---HPPIHPTKYT---NNLQGDEQRLYEFIVRHFLACCSQDAQGQETTVEIDIAQERFVAHGLMILARNYLDVYPY-------DHWSDKILPVYEQGSHFQPSTVEMVDGETSPPKLLTEADLIALMEKH-------------------GIGTDATHAEHIETIKARMYVGLTPDKRFLPGHLGMGLVEGYDSMGYEMSKPDLRAELEADLKLICDGK-----------------------------------------------------------------------------------------------------------------KDKFVVLRQQVQKYKQVFIEAVAKAKKLDEALAQYFGNGT


General information:
TITO was launched using:
RESULT:

Template: 4CGY.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 : 2953 -189076 -64.03 -331.13
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : -64.03
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.406

(partial model without unconserved sides chains):
PDB file : Tito_4CGY.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4CGY-query.scw
PDB file : Tito_Scwrl_4CGY.pdb: