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



Input alignment information:
Query sequenceMSDGKKHVVIIGGGITGLAAAFYMEKEIKEKNLPLELTLVEASPRVGGKIQTVKKDGYIIERGPDSFLERKKSAPQLVKDLGLEH-LLVNNATGQSYVLVNRTLHPMPKGAVMGIPTKIAPFVSTGLFSLSGKARAAMD-FI-LPASKTKDDQSLGEFFRRRVGDEVVENLIEPLLSGIYAGDIDKLSLMSTFPQFYQTEQKHRSLILGMKKTRPQGSGQQ---LTAKKQGQFQTLSTGLQTLVEEIEKQLKLTKVYKGTKVTKLSHSG--S----CYSLELD-----NGVTLDADSVIVTAPHKAAAGMLS--ELPAI--SHLKNMHSTSVANVALGFPEGSVQMEHEGTGFVISRNSD---FAITACTWTNKKWPHAAPEGKTLLRAYVGKAGDESIVDLSDNDIINIVLEDLKKVMNINGEPEMTCVTRWHESMPQYHVGHKQRIKELREALASAYPGVYMTGASFEGVGIPDCIDQGKAAVSDALTYLFS
1SEZ Chain:A ((13-494))----AKRVAVIGAGVSGLAAAYKLKIH------GLNVTVFEAEGKAGGKLRSVSQDGLIWDEGANTMTESEGDVTFLIDSLGLREKQQFPLSQNKRYIARNGTPVLLPSNPIDL--------IKSNFLSTGSKLQMLLEPILW-------SHESVSGFFQRHFGKEVVDYLIDPFVAGTCGGDPDSLSMHHSFPELWNLEKRFGSVILGAIRSKLS-----KTSANKKRQRGSFSFLGGMQTLTDAICKDLREDELRLNSRVLELSCSCTEDSAIDSWSIISASPHKRQSEEESFDAVIMTAPLCDVKSMKIAKRGNPFLLNFIPEVDYVPLSVVITTFKRENVKYPLEGFGVLVPSKEQQHGLKTLGTLFSSMMFPDRAPNNVYLYTTFVGGSRNRELAKASRTELKEIVTSDLKQLLGAEGEPTYVNHLYWSKAFPLYGHNYDSVLDAID-KMEKNLPGLFYAGNHRGGLSVGKALSSGCNAADLVISYLE-


General information:
TITO was launched using:
RESULT:

Template: 1SEZ.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 : 2510 -230496 -91.83 -526.25
target 2D structure prediction score : 0.59
Monomeric hydrophicity matching model chain A : 0.75

3D Compatibility (PKB) : -91.83
2D Compatibility (Sec. Struct. Predict.) : 0.59
1D Compatibility (Hydrophobicity) : 0.75
QMean score : 0.485

(partial model without unconserved sides chains):
PDB file : Tito_1SEZ.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-1SEZ-query.scw
PDB file : Tito_Scwrl_1SEZ.pdb: