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



Input alignment information:
Query sequenceMGEKMAIWRTKKPATKQKIVSDLQELGIKKGDTIIFHASMSKAHWICGGPVTVILALQELVGELGNIVMPAQTGQLSDPAKWENPPVPESWWKIIRRETPPFDPLVTPTRGMGVIAETFRTMPDVERSFHPYHSFCAWGKDKKQILANQPLAKSMGDESPLGKMYQLDAKIILFGVDNNNNTSLHLAEERSNAFPLIENQAAFL---KNGEIIWEKYQEIDYNSEVFIALGRAYEKEHDFHPTTIIG-APTKIYDMRDLVDFGTKYFQTKNH
3SMA Chain:C ((19-274))----------RELVTRDRLASDLAALGVRPGGVLLVHASLSALGWVCGGAQAVVLALQDAVGKEGTLVMPTFSGDLSDPSTWRRPPVPEDWWPVIREQMPPFDPDLTPTRGMGAVAECFRRAAGAVRSGHPQNSFAAWGAHAEQVVAEHGLTERLGRGSPLEQVYRLDGQVLLLGCGFESNTSFHLAEYRT-AYPGRRSHRRRVPVPEGDRVRWVEQEDIVYFEEDFQTMGESCLTRTPGHSRGTVGEAAAVLYGQRAFVDLACEWM-----


General information:
TITO was launched using:
RESULT:

Template: 3SMA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -96733 for 2089 contacts (-46.3/contact) +
2D Compatibility (PS) -27146 + (NN) -9682 + (LL) 1188
1D Compatibility (HY) -17600 + (ID) 5050
Total energy: -155023.0 ( -74.21 by residue)
QMean score : 0.448

(partial model without unconserved sides chains):
PDB file : Tito_3SMA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3SMA-query.scw
PDB file : Tito_Scwrl_3SMA.pdb: