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



Input alignment information:
Query sequenceMWQAISRLLSEQVGEG-EIELRNELPGGEVHAAWHLRYAGHDFFVKCDEREMLRGFTAEADQLELLSRSKTVVVPKVWAVGSDRDYSFLVMDYLSPRPLDAHNAFILGQQLARLHQWSDQPQFGLDFDNALSTTPQPNTWQRRWSTFFAEQRIGWQLELAAEKGITFGNIDAIVEHVQQRLASHQPQPSLLHGDLWSANCALGPDGPYIFDPACYWGDRECDLAMLPLHTDQPPQIYDGYQSVSPLPLDFLDRQPIYQLYTLLNRARLFG---GQHLATAQKAMDRLLAV
3JR1 Chain:A ((21-308))-WKSISQVLAEQFGAYYFIKHKEKLYSGEMNEIWLINDEVQTVFVKINERSYRSMFRAEADQLALLAKTNSINVPLVYGIGNSQGHSFLLLEALNKSKNKQSSFTIFAEKIAQLHQIQGPDKYGLDFDTWLGPIYQPNDWQTSWAKFFSENRIGWQLQICKEKGLIFGNIDLIVQIVADTLSKHNPKPSILHGNLWIENCIQVDDKIFVCNPACYWGDRECDIAFSSLFEPFPTNFYQRYNEIYPLEEGYLERKLIYQLYYLLNFSYRYYNKKQSYVSLTQKLINQILH-


General information:
TITO was launched using:
RESULT:

Template: 3JR1.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 : 1413 -34048 -24.10 -119.89
target 2D structure prediction score : 0.66
Monomeric hydrophicity matching model chain A : 0.81

3D Compatibility (PKB) : -24.10
2D Compatibility (Sec. Struct. Predict.) : 0.66
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.583

(partial model without unconserved sides chains):
PDB file : Tito_3JR1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3jr1-query.scw
PDB file : Tito_Scwrl_3JR1.pdb: