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



Input alignment information:
Query sequenceMRKRKLGTSDLDISEVGLGCMSLGTEKNKALS---ILDEAIELGINYLDTADLYDR--GRNEEIVGDAIQN----RRHDIILATKAG-NRWDD--GSEGWYWDPSKAYIKEAVKKSLTRLKTDYIDLYQLHGGTIEDNIDETIEAFEELKQEGVIRYYGISSIRPNVIK---EYVKKSNIVSIMMQ--FSLFDRRPEE--WLPLLEEHQISVVARGPVAKGLLTEKPLDQASESMKQNGYLSYSFEELT-NARKAMEEVAPDL--SMTEKSLQYLLAQPAVASVITGASKIEQLRENIQAANARRLTEEEIKALQSHTKQDIYKAHRS
4AUB Chain:A ((33-351))MQYRYCGKSGLRLPALSLGLWHNFGHVNALESQRAILRKAFDLGITHFDLANNYGPPPGSAEENFGRLLREDFAAYRDELIISTKAGYDMWPGPYGSGG-----SRKYLLASLDQSLKRMGLEYVDIFYSHRVDENTPMEETASALAHAVQSGKALYVGISSYSPERTQKMVELLREWKIPLLIHQPSYNLLNRWVDKSGLLDTLQNNGVGCIAFTPLAQGLLTGK------------------LTEANLNSLRLLNEMAQQRGQSMAQMALSWLLKDDRVTSVLIGASRAEQLEENVQALNNLTFSTKELAQIDQH-----------


General information:
TITO was launched using:
RESULT:

Template: 4AUB.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 : 1474 65924 44.72 242.37
target 2D structure prediction score : 0.62
Monomeric hydrophicity matching model chain A : 0.74

3D Compatibility (PKB) : 44.72
2D Compatibility (Sec. Struct. Predict.) : 0.62
1D Compatibility (Hydrophobicity) : 0.74
QMean score : 0.496

(partial model without unconserved sides chains):
PDB file : Tito_4AUB.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4AUB-query.scw
PDB file : Tito_Scwrl_4AUB.pdb: