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



Input alignment information:
Query sequence---------------------MFNTAVKILYRSLIELTN-------HRLSSYLIKGFCESKISKPVIPLFSKHFRLNWDDVDGTAADYGSLSELFIRQINLERRPVSK-EAHAVVSPVDGVVQTVGIIN-PNQTFT---VKGKDYSFAELTGCKSADHQYNGGYFVVLYLSPRHYHRFHSPISCRYQKLAELGNRSYPVNQLGLKYGKDVLS--------------------KNYRFVYEL------------------NSGSRNVLMIPVGAMNINSIVQTNTRTELEIGEELGYFSFGSTVILVFE-KDAFQPSAHLAEGQEVQVG--ELIGYEE---------------------------------------------
2VDU Chain:B ((2-436))SVIHPLQNLLTSRDGSLVFAIIKNCILSFKYQSPNHWEFAGKWSDDFPIYSY-IRNLRLTSDESRLIACADSDKSLLVFDVDKTSKNVLKLRKRFCFSKRPNAISIAEDDTTVIIADKFGDVYSIDINSIPEEKFTQEPILGHVSMLTDVHLIKDSD----GHQFIITSDRDEHIKISHYPQCFIVDKW--LFGHKHFVSSICCGKDYLLLSAGGDDKIFAWDWKTGKNLSTFDYNSLIKPYLNDQHLAIIEFAVSKIIKSKNLPFVAFFVEATKCIIILEMSEKQKGDLALK-QIITFPYNVISLSAHNDEFQVTLDNKESSGVQKNFAKFIEYNLNENSFVVNNEKSNEFDSAIIQSVQGDSNLVTKKEEIYPLYNVSSL


General information:
TITO was launched using:
RESULT:

Template: 2VDU.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 : 1144 -112153 -98.04 -439.82
target 2D structure prediction score : 0.36
Monomeric hydrophicity matching model chain B : 0.63

3D Compatibility (PKB) : -98.04
2D Compatibility (Sec. Struct. Predict.) : 0.36
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.223

(partial model without unconserved sides chains):
PDB file : Tito_2VDU.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-2VDU-query.scw
PDB file : Tito_Scwrl_2VDU.pdb: