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



Input alignment information:
Query sequenceMPRPGGPGRCSIRQRSVACTGAGAQRDVSAARSPVPNPATSAVIPAILADVEEVAVVVAHHDCATLRVGDVFLKVDADQTRTDVEVEAMARA--PIPTPRVLWRKP-------PVLALAALPGTALGRL-----------GEPSTASSAAWVAAGAAVRKLHD--------APLPPWPGRSRDEITSHLDHECEWLITTGVLPSELVTRNRQVAEAALRPWTPVFTHGDLQTSHVFVDGDEATGVIDWSEAAQGDALFDLATLTLGH---QEHLG--------------DVVAGYGADV-----DLDVIRAWWSLRSLRAVRWLIEHGF----DPSAPGCEIDVLRSQL---------
3ATS Chain:A ((1-357))------TLPAVISRWLSSVLPGGAAPEVTVESGVDSTGMSSETIILTARWQQDGRSIQQKLVARVAPAAEDVPVFPTYRLDHQFEVIRLVGELTDVPVPRVRWIETTGDVLGTPFFLMDYVEGVVPPDVMPYTFGDNWFADAPAERQRQLQDATVAALATLHSIPNAQNTFSFLTDTTLHRHFNWVRSWYDFAVEGIGRSPLLERTFEWLQSHWPDDAAAREPVLLWGDARVGNVLYRDFQPVAVLDWEMVALGPRELDVAWMIFAHRVFQELAGLATLPGLPEVMREDDVRATYQALTGVELGDLHWFYVYSGVMWACVFMRTGARRVHFGEIEKPDDVESLFYHAGLMKHLLGEEH


General information:
TITO was launched using:
RESULT:

Template: 3ATS.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 : 1288 -54635 -42.42 -189.05
target 2D structure prediction score : 0.55
Monomeric hydrophicity matching model chain A : 0.63

3D Compatibility (PKB) : -42.42
2D Compatibility (Sec. Struct. Predict.) : 0.55
1D Compatibility (Hydrophobicity) : 0.63
QMean score : 0.254

(partial model without unconserved sides chains):
PDB file : Tito_3ATS.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3ats-query.scw
PDB file : Tito_Scwrl_3ATS.pdb: