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



Input alignment information:
Query sequenceMSKEAAKTPREDGGVARKGDGKAPKKLIGGHIELGHVLGVGGFGKVYNAYDVTKKVHVAVKMIDKALVRSSGIQSYVEREIEMMRKMKNQHVVRLLEAIETSKAYNLVMELAPNGELFDKIVDSKRFDEETARNYFQQLICAVHYCHRMNIVHRDLKAENLLLG---ENNVLKVCDFGLSRYTKEGRFNDHEVLFTSLAGSIDYQAPEVLKERGYEGDSCDMWSCGCVLFFMLCGYLPFTDRSDGLTRKRIMSCQYNKT---SRYLPEQAADLIAHLLVPFPSARYTTSDVIQHPWFRVNLDPSMFPDDNVVPTPM---SPL-GNGEFIQRVITPQMSSGSFGAAPSPTTSKADEMHQAFQSCNITGDGFLNKEEVRDALIKLNG---------GNQVTEQEVKDFMSNFQVDQEGRITEEEFVMGWTKHQNDLGSKYDLSKMAHLFHYDLEKEFLQVVREAFDLIDSEHSGIITKEKLKSLN--LGLTDKDAESAFSSMDTEHRGLSSLTFEGFVGLCLKYDFFKNHPLAIRLRRLNAFFEATEHTAFRASLNTGYTVAGQREVIKALLLSKQESLSTTFEEGDGNGFLYGTYTQDSKKVLEIGVRLLPAAAGYTKVIVYRIGGKTIEFHKWFLDLRRLMKDELLRCEEDTAVKGEPELM
4YSM Chain:B ((22-485))---------------------QHSTAAFSDRYKGQRVLGKGSFGEVILCKDKVTGQEYAVKVISKRQVKQKTDKELLLKEVELLKKLDHPNIMKLYEFFEDKGYFYLVTEVYTGGELFDEIISRKRFSEVDAARIIRQVLSGITYMHKNKIVHRDLKPENLLLENKRKDANIRIIDFGLSTHFESTK------KMKDKIGTAYYIAPEVLHG-T-YDEKCDVWSTGVILYILLSGCPPFNGANEFDILKKVEKGKFTFDLPQWKKVSEPAKDLIRKMLAYVPTMRISARDALEHEWLKTTDAATDSIDVPSLESTILNIRQFQGTQKLAAAALLY-------MGSKLTTNEETVELNKIFQRMDKNGDGQLDKQELMEGYVELMKLKGEDVSALDQSAIEFEVEQVLDAVDFDKNGFIEYSEFVTVAMDRKTLL--------------------SRQRLERAFGMFDADGSGKISSSELATIFGVSEVDSETWRRVLAEVDRNN--DGEVDFEEFRQMLLKL-------------------------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 4YSM.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 : 2094 -38326 -18.30 -86.51
target 2D structure prediction score : 0.65
Monomeric hydrophicity matching model chain B : 0.69

3D Compatibility (PKB) : -18.30
2D Compatibility (Sec. Struct. Predict.) : 0.65
1D Compatibility (Hydrophobicity) : 0.69
QMean score : 0.380

(partial model without unconserved sides chains):
PDB file : Tito_4YSM.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4YSM-query.scw
PDB file : Tito_Scwrl_4YSM.pdb: