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


Input alignment information:
Query sequenceMSKMLYTLGGWVARNRIKAICAWIVVLVAAIGLAVTLKPSFSEDMSIPDTPSEKAMDVIQKEFPHGPDKGSIRVIFGAGDGEKLTGKPAKKAIEDTFKEISKDDSVDSIASPFVTGTIAKDGTVAYADIQYKSSADDIKDYSIKHLKDSLKMADDEGLQTELSGDVPGAEMEIGGVSEIVGIILAFVVLAITFGSLLIAGLPILTALIGLGVSIGLVLIGTQVFDIASVSLSLAGMIGLAVGIDYALFIFTKHRQFLGEGIQKNESIARAVGTAGSAVVFAGLTVIVALCGLTVVNIPFMSAMGLTAGLSVLMAVLASITLVPAVLSIAGKRMIPKSNKKIEKQSTETNVWGRFVTKNPIMLSVCSILILIVISIPSMHLELGLPDAGMKAKDNPDRRAYDLLAEGFGEGFNGQLTIVADATNATENKAEAFADAVKEIKGLDHVASVTPA--MPNKEGNFAIITVVPETGPNDVTTKDLVHDVRSLSDKNGVDLLVTGSTAVNIDISDRLNDAIPVFAVLIVGFAFVLLTIVFRSLLVPLVAVAGFMLTMTATLGICVFVLQDGNLIDFFKIPEKGPILAFLPILSIGILFGLAMDYQVFLVSRMREEYVK--TNNPVQAIQAGLKHSGPVVTAAGLIMIFVFAGFIFAGEASIKANGLALSFGVLFDAFIVRMTLIPSVMKLMGNAAWYLPKWLDKIIPNVDIEGHQLTKEIQPEIDHEQKKQISV
3AQP Chain:A ((274-726))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------GIRSALIGTLAIFLLIFAYYG-PHLGLVASLGLLYTSALILGLLSGLGA--TLTLPGIAGL-VLTLGAAVDGNVLSFERIKEELRAGKKLRQAIPEGFRHSTLTIMDVNIAHLLAAAALYQYATGPVRGFAVILAIGVVASVFSNLVFSRHLLERLADRGEIRPPMWL------VDPRFNFM-GPARYVTAATLLLAALAAGVVFAKGFNYSI-------------------DFTGG--TAYTLRAEPNVE-------VETLRRFLEEKGFPGKEAVITQV------YREFLVKLPPL-SDERR----LELERLFAS-ELKATVLASETVGPAIGEELRRNAVMAVLVGLGLILLYVAFRF-DWTFGVASILAVAHDVAIVAGMYS----------LLGLE-----FSIPTIAALLTIVGYSINDSIVVSDRIRENQKLLRHLPYAELVNRSINQTLSRTVMTSLTTLLPILALLFLGGSVLRDFALAIFVGIFV-GTYSSIYVVSALVVAWKNR----------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3AQP.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 : 2371 -379492 -160.06 -856.64
target 2D structure prediction score : 0.73
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -160.06
2D Compatibility (Sec. Struct. Predict.) : 0.73
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.313

(partial model without unconserved sides chains):
PDB file : Tito_3AQP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3AQP-query.scw
PDB file : Tito_Scwrl_3AQP.pdb: