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



Input alignment information:
Query sequenceMSKQILILAGDGIGPEIVGAAEKVLNKVNEKFNLSLTWEHGLLGGAAIDAHGEPYPAVTSEQAKKADAILLGAVGGPKWDTIERSIRPERGLLKIRSELNLFANLRPAILYPQLADASSLKPEIVAGLDILIVRELTGGIYFGQPRGIRELE----NGEKQGYNTDVYSESEIKRIAKVAFELAGLRGGKVCSVDKANVLEVTELWKQTVTDLQQANYPNIQLSHMYVDNAAMQLVRAPKQFDVIVTGNLFGDILSDEAAMLTGSIGMLPSASLDENGKGMYEPCHGSAPDIAGQNVANPLATILSVAMMLRYTFR-EEAAAKAIEDAVGQVLDQGLRTADIMSEGMTKVGTAEMGEAVVAALA
4XXV Chain:B ((9-363))--MKIAVLPGDGIGPEIVNEAVKVLNALD----EKFELEHAPVGGAGYEASGHPLPDATLALAKEADAILFGAVGDWKYDSLERALRPEQAILGLRKHLELFANFRPAICYPQLVDASPLKPELVAGLDILIVRELNGDIYFGQPRGVRAAPDGPFAGEREGFDTMRYSEPEVRRIAHVAFQAAQKRAKKLLSVDKSNVLETSQFWRDVMIDVS-KEYADVELSHMYVDNAAMQLAKAPKQFDVIVTGNMFGDILSDEASMLTGSIGMLPSASLDKNNKGLYEPSHGSAPDIAGKGIANPLATILSAAMLLRY-SLNRAEQADRIERAVKTVLEQGYRTGDIATPGCRQVGTAAMGDAVVAAL-


General information:
TITO was launched using:
RESULT:

Template: 4XXV.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 : 2061 -80068 -38.85 -228.76
target 2D structure prediction score : 0.64
Monomeric hydrophicity matching model chain B : 0.90

3D Compatibility (PKB) : -38.85
2D Compatibility (Sec. Struct. Predict.) : 0.64
1D Compatibility (Hydrophobicity) : 0.90
QMean score : 0.633

(partial model without unconserved sides chains):
PDB file : Tito_4XXV.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4XXV-query.scw
PDB file : Tito_Scwrl_4XXV.pdb: