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



Input alignment information:
Query sequenceMSDYFKNAVLWLIILGVLILIFSNISDRNKPTAMKYSDFIAAVNAGQIKQVTIDGLNISGEKTNGSQFETVRPQVEDTELMPSLNKQNVVVEGTAPQRQGILMQLLIASFPVLLIILLFMFFMRNMGGGAGGKNGPMSFGKSKAKMLSEDQIKVTFADVAGCDEAKQEVVEIVDFLKDPAKFKRLGATIPRGVLMVGPPGTGKTLLAKAIAGEAKVPFFSISGSDFVEMFVGVGASRVRDMFEQAKRHAPCIIFIDEIDAVGRHRGSGTGGGHDEREQTLNQMLVEMDGFEGNEGVIVIAATNRVDVLDKALLRPGRFDRQVMVGLPDIRGREQILNVHLKKLPSVTGIDVKVLSRGTPGFSGAQLANLVNEAALFAARRNKNTVDMHDFEDAKDKIYMGPERKSMVLREEERRATAYHEAGHAIVAEILPGTDPVHKVTIMPRGW-ALGVTWQLPEQDQISHYKDKMLNEIAILFGGRIAEEVFIQQQSTGASNDFERATKMARAMVTKYGMSDKMGVMVYEDENQNGFFGNVGSRTISEATQQQVDQEVRRILDEQYKVARDILENNKDIALAMVKALMEWETIDRDQIRDIMEGREPQPPKVYIAENPVSAFEPPKDGPSTPPPLPAMN
3KDS Chain:E ((12-456))--------------------------------------------------------------------------------------------------------------------------------------------------------RVTFKDVGGAEEAIEELKEVVEFLKDPSKFNRIGARMPKGILLVGPPGTGATLLARAVAGEANVPFFHISGSDFVELFVGVGAARVRDLFAQAKAHAPCIVFIDEIDAVGRH---------DEREQTLNQLLVEMDGFDSKEGIIVMAATNRPDILDPALLRPGRFDKKIVVDPPDMLGRKKILEIHTRNKPLAEDVNLEIIAKRTPGFVGADLENLVNEAALLAAREGRDKITMKDFEEAIDRVIAGPARKSLLISPAEKRIIAYHEAGHAVVSTVVPNGEPVHRISIIPRGYKALGYTLHLPEEDKYLVSRNELLDKLTALLGGRAAEEVVFGDVTSGAANDIERATEIARNMVCQLGMSEELGPLAWGK----------RLRNYSEEVASKIDEEVKKIVTNCYERAKEIIRKYRKQLDNIVEILLEKETIEGDELRRIL-------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3KDS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain E - contact count / total energy / energy per contact / energy per residue : 2100 -146365 -69.70 -346.02
target 2D structure prediction score : 0.68
Monomeric hydrophicity matching model chain E : 0.77

3D Compatibility (PKB) : -69.70
2D Compatibility (Sec. Struct. Predict.) : 0.68
1D Compatibility (Hydrophobicity) : 0.77
QMean score : 0.601

(partial model without unconserved sides chains):
PDB file : Tito_3KDS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3KDS-query.scw
PDB file : Tito_Scwrl_3KDS.pdb: