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



Input alignment information:
Query sequenceMQKNIYFVVLDLHTT-D------RDKIIQLFKDWTDYSAKLVEGELVKKDGQNALFPPSDTGET-VGLNPHRLTLTFGVSASFLKRMNLENKRPRLFRDLPLFPKEQLREKYTGGDIVIHACADDEQIAFHAIRNLIRKGRNAVPLRWSQSGFAAIGD----RMETPWNLFGFKDGTANPTKEQ-DFDRVIWADS-----KDWMENGSYMAVRRIQMFLETWDRTSLEEQENTFGRYKESGAPFGKKNEFDEVDL-------S-LLPDDSHVCLAKEV---DKPLLRRSYSYSDGIDEKTGQFDTGLLFISFQKDP-DNFVKVQTNLGA-TDKMNEYITHIGSGLFTCFGGVEKGGYIGQKLLEG
4GS1 Chain:B ((48-395))-PAFVHVIAFDLAEPARAEPAAAREGAATALRTWAEHAARLHADGPE--------------GAASAGLLPASLMVTIGIGGSLLEAMDAADRRPDALADLPEFATDDLRPRWCGGDLMLQVGAEDPMVLAAAVDELVAATAPTTTVRWSLRGFRRTAAAAQDPDATPRNLMGQIDGTANPAQDHPLFTRTVTAPPADDPAHAWMDGGSYLVVRRIRMLLDEWRRLDVPDRERVIGRHLDTGAPLGGEKETDPVVLTARDADGRLVIPEDAHVRLANPENNLGARMVRRGYNYDEGWRDD-GVRDAGLLFMAWQGNPATGFVPVQRSLVEQGDALNRYTRHEGSALFAVPAAT-ADRYPGQDLVEG


General information:
TITO was launched using:
RESULT:

Template: 4GS1.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 : 1475 38565 26.15 121.65
target 2D structure prediction score : 0.58
Monomeric hydrophicity matching model chain B : 0.78

3D Compatibility (PKB) : 26.15
2D Compatibility (Sec. Struct. Predict.) : 0.58
1D Compatibility (Hydrophobicity) : 0.78
QMean score : 0.414

(partial model without unconserved sides chains):
PDB file : Tito_4GS1.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4GS1-query.scw
PDB file : Tito_Scwrl_4GS1.pdb: