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



Input alignment information:
Query sequenceMNDPMNYYRVAREEWREFYRNGQAPLTQDELDNIKSLNDRISMQDVRDIYVPLAHLIYLYMKEFESLFLSKGLFLHKYVEVPPFIIGIAGSVAVGKSTTARLLQTILSRTFKRRNVQLITTDGFLYPNRILKERGIMDRKGFPESYDMEMLIDFLNRVKSGQEEIKVPVYSHDVYDIIPDKYELIQQPDILIVEGINTLQLPAN-----QQIYVSDFFDFSVYVDADPVLIEKWYLDRFGALLDTAFQNPENYYYRFAIGDREEAFKMAKDVWKNVNLKNLQEYILPTRGRADIILHKTENHIIDSIFMRKY
1SQ5 Chain:B ((4-308))------YLQFDRNQWAALR------LSEDEIARLKGINEDLSLEEVAEIYLPLSRLLNFYISSNLRRQAVLEQFLGTNGQRIPYIISIAGSVAVGKSTTARVLQALLSRWPEHRRVELITTDGFLHPNQVLKERGLMKKKGFPESYDMHRLVKFVSDLKSGVPNVTAPVYSHLIYDVIPDGDKTVVQPDILILEGLNVLQSGMDYPHDPHHVFVSDFVDFSIYVDAPEDLLQTWYINRFLKFREGAFTDPDSYFHNYAKLTKEEAIKTAMTLWKEINWLNLKQNILPTRERASLILTKSANHAVEEVRLRK-


General information:
TITO was launched using:
RESULT:

Template: 1SQ5.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 : 1383 -96552 -69.81 -328.41
target 2D structure prediction score : 0.71
Monomeric hydrophicity matching model chain B : 0.83

3D Compatibility (PKB) : -69.81
2D Compatibility (Sec. Struct. Predict.) : 0.71
1D Compatibility (Hydrophobicity) : 0.83
QMean score : 0.544

(partial model without unconserved sides chains):
PDB file : Tito_1SQ5.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1SQ5-query.scw
PDB file : Tito_Scwrl_1SQ5.pdb: