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



Input alignment information:
Query sequence-------------------------------------------------------------------------------------------------------------MYGYSGYGYGFGCGTNTFVLIVVLFILLIIVGAAFIC------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------
4B0T Chain:A ((2-477))STVESALTRRIMGIETEYGLTFVDRPDEIARRMFRPIVEKYSSSNIFIPNGSRLYLDVGSHPEYATAECDNLTQLINFEKAGDVIADRMAVDAEESLAKEDIAGQVYLFKNNVDSVGNSYGCHENYLVGRSMPLKALGKRLMPFLITRQLICGAGRIHHPNPLDKGESFPLGYCISQRSDHVWEGVSSATTRSRPIINTRDEPHADSHSYRRLHVIVGDANMAEPSIALKVGSTLLVLEMIEADFGLPSLELANDIASIREISRDATGSTLLSLKDGTTMTALQIQQVVFEHASKWLEQRPEPEFSGTSNTEMARVLDLWGRMLKAIESGDFSEVDTEIDWVIKKKLIDRFIQRGNLGLDDPKLAQVDLTYHDIRPGRGLFSVLQSRGMIKRWTTDEAILAAVDTAPDTTRAHLRGRILKAADTLGVPVTVDWMRHKVNRPEPQSVELGDPFSAVNSEVDQLIEYMTVHA


General information:
TITO was launched using:
RESULT:

Template: 4B0T.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 : 19 -3842 -202.18 -103.82
target 2D structure prediction score : 0.46
Monomeric hydrophicity matching model chain A : 0.52

3D Compatibility (PKB) : -202.18
2D Compatibility (Sec. Struct. Predict.) : 0.46
1D Compatibility (Hydrophobicity) : 0.52
QMean score : 0.512

(partial model without unconserved sides chains):
PDB file : Tito_4B0T.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4B0T-query.scw
PDB file : Tito_Scwrl_4B0T.pdb: