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
3VNQ Chain:A ((33-533))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RNSDLVSLFREVAATAPERTALSAEDDRISYGRLDAWSDAVARTLLAEGVRPGDRVALRMSPGAEAIVAILAILKCGAAYVPVDLRNPVSRSDFILADSGASALIG----EPHEGCAVTRVVRTAAVAECKDAE------APGPGAEDMAYVIYTSGTTGNPKGVPVRHANVLALLAGAPSVFDFSGDDRWLLFHSLSFDFSVWEIWGAFSTGAELVVLPHWAARTPEQYLAVIIDRGVTVINQTPTAFLALTEAAVRGGRDVSGLRYVIFGGEKLTAPMLRPWAKAFGLDRPRLVNGYGITETTVFTTFEEITEAYLAQDASIIGRALPSFGTRVVGDDGRDVAPGETGELWLSGAQLAEGYLRRPELTAEKF---PEV---VRYYRTGDLVSELPDGRFAYEGRADLQIKLRGYRIELSDIETAVRRHDDVVDAVVTVREFKPGDLRLVCAYVAREGSATTARELRNHIKTLLPAYMHPARYLPLPGLPRTVNGKVDRAAV-------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3VNQ.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 : 2778 -84714 -30.49 -179.86
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.62

3D Compatibility (PKB) : -30.49
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.62
QMean score : 0.459

(partial model without unconserved sides chains):
PDB file : Tito_3VNQ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3VNQ-query.scw
PDB file : Tito_Scwrl_3VNQ.pdb: