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



Input alignment information:
Query sequenceMSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKD-GYIIERGPDSFLERKKSAPQLVKDLGLEH-LLVNNATGQSYVLVNRTLHPMPKGAVMG-IPTKIAPFVSTGLFSLSGKA-RAAM--DFIL-PASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSGQQLTAKKQGQFQTLSTGLQTLVEEIEKQLKLTKVYKGTKVTKLSHSGSCYSLELDNGVTLDADSVIVTAPHKAAAGMLSELPAI----SHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSDFAITACTWTNKKWPHAAPEG-KTLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNI--NGEPEMTCVTRWHES------MP-QYHVGHKQRI-KELREALASAYPGVYMTGASFE---GVGIPDCIDQGKAAVSDALTYLFS
1S3E Chain:A ((3-454))---NKCDVVVVGGGISGMAAAKLLHDS------GLNVVVLEARDRVGGRTYTLRNQKVKYVDLGGSYVGPTQNRILRLAKELGLETYKVNEV-E-RLIHHVKGKSYPFRGPFPPVWNPITY--LDHNNFWRTMDDMGREIPSDAPWKAPLAEEWDNMTMKELLDKLCWTESAKQLATLFVNLCVTAETHEVSALWFLWYVKQC----GGTT-RIIST-----------TNGGQERKFVGGSGQVSERIMDLLG-DRVKLERPVIYIDQTRENVLVETLNHEMYEAKYVISAIPPTLGMKIHFNPPLPMMRNQMITRVPLGSVIKCIVYYKEP-FWRKKDYCGTMIIDGE-EAPVAYTLDD-----TKPEGNYAAIMGFILAHKARKLARLTKEERLKKLCELYAKVLGSLEALEPVHYEEKNWCEEQYSGGCYTTYFPPGILTQYGRVLRQP----VDRIYFAGTETATHWSGYMEGAVEAGERAAREILHAM--


General information:
TITO was launched using:
RESULT:

Template: 1S3E.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 : 2561 -232610 -90.83 -544.75
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain A : 0.69

3D Compatibility (PKB) : -90.83
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.435

(partial model without unconserved sides chains):
PDB file : Tito_1S3E.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1S3E-query.scw
PDB file : Tito_Scwrl_1S3E.pdb: