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


Input alignment information:
Query sequenceMRKPMIDSKAVVQAHNLFMTFKAENKKSADISAIVDLNMQIKKGELTALVGPDGAGKTTLLRLIAGLYKASSGSLHVLGLDIEKHPQVVQDRISYMPQRFGLYEDLSVQENLNLYADLHGVPKNVRNQRFKRLLEITDLTQFTQRLAGQLSGGMKQKLGLACTLVRSPELLLLDEPSVGVDPLSRRDLWIIIEQLVQEENLSVIISTAYMDEAEKCAYVYIMHEGKILRQGSPEQLKALVHEQTWQIKPSEQIKPRIVQAQLLGNSGEIIDAVPRGEQVNFISRQKELSTNILPLGLVANRRPPELEDAFMMLLQQNQKQQISISQQTFRSEQNNNSQSDQAVIVVKDLVRTFGDFTAVANTSFTVQRGEIFGLLGPNGAGKTTTFRMLCGLLPASSG--YLEVAGKNLRTARAEARAKVGYVSQKFALYSNLTVLENL-KFFGGAYGLSGKKLDQQIDKALQQYDLKPQIKS--GDLPVGYKQRLSMAAALLHEPEILFLDEPTSGIDPLARHSFWYSIGKLANQGITIIITTHFMEEA-EYCDRIAIQDAGKLLALGSPQQVRELASKDKHI--VDMNEAFIAIVEQARALRHAG
4QC2 Chain:B ((2-236))-----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ATLTAKNLAKAYKGRRVVEDVSLTVNSGEIVGLLGPNGAGKTTTFYMVVGIVPRDAGNIIIDDDDISLLPLHARARRGIGYLPQEASIFRRLSVYDNLMAVLQIRDDLSAEQREDRANELMEEFHIEHLRDSMGQSLSGGERRRVEIARALAANPKFILLDEPFAGVDPISVIDIKRIIEHLRDSGLGVLITDHNVRETLAVCERAYIVSQGHLIAHGTPTEI----LQDEHVKRVYLG-----------------


General information:
TITO was launched using:
RESULT:

Template: 4QC2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output 		Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 1127 -16659 -14.78 -73.39
target 2D structure prediction score : 0.67
Monomeric hydrophicity matching model chain B : 0.63

3D Compatibility (PKB) : -14.78
2D Compatibility (Sec. Struct. Predict.) : 0.67
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.523

(partial model without unconserved sides chains):
PDB file : Tito_4QC2.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4QC2-query.scw
PDB file : Tito_Scwrl_4QC2.pdb: