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



Input alignment information:
Query sequenceMKKGADTMNTIKKIKNIYPLSHMQEGMLFHSFLRKEEGAYVEQSLFTIKGSLSYDWFQRSIQAIIDRHDIFRTVFLPHVPHLSGPRQVVMTEREFHLNSEDISHLPTNDQNEYIERFKEKDKQKGFDLQKDMLMRISLFKTAKDEHVCIWSHHHILMDGWCLGIVMQEFMQIYQSIHAGKPLSLDPVRPYSTYISWLTNRDKEKAAAYWDTYLKNYSAPSPLPRVSDKETKESYHREDLIFSLNKPLTDKLKETAKQHGVTLATLIQAVWGVMLQQYNRTDDVVFGAVVSGRPSEIPGVEQMIGLFINTIPIRIKTHQDETFHELLIRCQKEMLEAEPFTCQPLFDIQANTALKQELIDHIIVFENYPLQQKIADSADQTDSPLQIDQVQVSEQSGYNFNLVVAPGEELVIKFSYNAFVYDAAWISCIKRQFTQALSTAAQHPHMPIADFSFLDATEKEQIVTQFNNTKTEYPKNHTIIDLFREQAEKTPDHTALVYGNMSISYKELDKRSNALARELIQKGFRKNETAGILAAHSPEFMISVLAVLKAGGAYLPLDAELPPERVSFMLEETQAKMLIVQKGLEQNAAFSGTCIISDAQGLMEENDIPINISSSP----DDLAYIMYTSGSTGRPKGVMITNRNVVSLVRNS-NYTSASGDDRFIMTGSISFDAVTFEMFGALLNGASLHIIDKSTMLTPDRFGAYLLENDITVLFLTTALFNQL--AQVRADM-FRGLHTLYVGGEALSPALMN--AVRHACPDLALHNIYGPTENTTFSTFFEMKRDYAGPIP--IGKPISNSTAYILDTKGRLLPIGVPGELCVGGDGVAKGYLNRVDLTNAVFSPHPFLPGE-RIYRTGDLARWLPDGNLEYISRIDRQMKIRGKRIEPAEIEARLLEMEGVQEAAVTLRE-KDGEAQLYTHYVGDHKKTDT--DFRADLARVLPDYMIPQHWVRVERMPLTGNGKIDRSALPIPENKPAKRQNIILPRNLVEEELANIWKQVLGVNTISIDDDFFAIGGHSLRALQVIHTLKHQQNIDIPIDFLFEHPTIAQLAEKLYSKQLTAANEQHVIKLNQHGAQNLFCFPPISGFGIYFKDLALLLNEKAAVYGFHFIEQDTRIEQYVNCMTDIQPEGPYVLLGYSAGGNLAFEVAQAMERKGLEVSDFIIVDAYLKEQPLPIDTGNDESAAYLPEAVREKVMKKKRNYQEYWAQLLNEGHIKASIHFIEAGIHPETSGHTGLTKWEGACGNYSEYTGFGAHKDMLEGTYAEKNADIILDILEKITSNQVILHKR
3VNS Chain:A ((33-533))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RNSDLVSLFREVAATAPERTALSAEDDRISYGRLDAWSDAVARTLLAEGVRPGDRVALRMSPGAEAIVAILAILKCGAAYVPVDLRNPVSRSDFILADSGASALIG----EPHEGCAVTRVVRTAAVAECKDAEP-----APGPGAEDMAYVIYTSG-TGNPKGVPVRHANVLALLAGAPSVFDFSGDDRWLLFHSLSFDFSVWEIWGAFSTGAELVVLPHWAARTPEQYLAVIIDRGVTVINQTPTAFLALTEAAVRGGRDVSGLRYVIFGGEKLTAPMLRPWAKAFGLDRPRLVNGYGITETTVFTTFEEITEAYLAQDASIIGRALPSFGTRVVGDDGRDVAPGETGELWLSGAQLAEGYLRRPELTAEKF---PEV---VRYYRTGDLVSELPDGRFAYEGRADLQIKLRGYRIELSDIETAVRRHDDVVDAVVTVREFKPGDLRLVCAYVAREGSATTARELRNHIKTLLPAYMHPARYLPLPGLPRTVNGKVDRAAV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3VNS.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 : 2789 -82677 -29.64 -175.53
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.62

3D Compatibility (PKB) : -29.64
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.480

(partial model without unconserved sides chains):
PDB file : Tito_3VNS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3VNS-query.scw
PDB file : Tito_Scwrl_3VNS.pdb: