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



Input alignment information:
Query sequenceMKFEKRQVYYVVITFAICYAIQAYWGAVSNILTTLHKAIFPFLMGAGIAYIINIVMSVYERLYIKLFKGSRLLMAIKRSVSMILSYATFIGLIVWLFSIVIPD---LISSLSSLLVIDTGALAKLVNNLNENKQISEALNYMGTDKDLVSTLSGYSQQILKQVLSVLTNLLTSVSSIAATLLNVFVSFIFSIYVLANKEQLGRQFNLLIDTYLGSTGKTFHYVRHILHQRFHGFFVSQTLEAMILGSLTVIGMLIFQFPYALTVGVLVAFTALIPVVGAYIGVTIGFILIATESLTEAFLFVLFLILLQQFEGNVIYPKVVGGSIGLPSMWVLTAITIGGALWG-ILGMLLAVPVAATIYQIVKDHIIKRQTLRNRARTYR-
3WPA Chain:A ((65-410))NVAQGNQTN-------VGDALTALDNAINTAATTSKSTV-----SNGQNIVVSKSKNADGSDNYEVSTAKDLTVDSVKAGDTVLNNA---GITIGNNAVVLNNTGLTISGGPSVTLAGIDAGNKTIQNVANAVNATDAVN-KGQLDSAINNVNNNVNELANNAVKYDDASKDKITLGGGATGTTITNVKDGTVAQGSKDAVNGGQLWNVQQQVDQNTTDISNIKNDINNGTVGLVQQAGKDAPVTVAKDTGGTTV---NVAGTDGNRVVTGVKEGAVNAT----------SKDAVNGSQLNTTNQAVVNYLGGGAGYDNI-TGSFTAPS------YTVGDSKYNNVGGAIDALNQADQALNSKIDNVSNKLDNAFRITNNRI


General information:
TITO was launched using:
RESULT:

Template: 3WPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -129057 for 1577 contacts (-81.8/contact) +
2D Compatibility (PS) -34873 + (NN) 7424 + (LL) 4524
1D Compatibility (HY) 13600 + (ID) 2300
Total energy: -140682.0 ( -89.21 by residue)
QMean score : -0.060

(partial model without unconserved sides chains):
PDB file : Tito_3WPA.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3WPA-query.scw
PDB file : Tito_Scwrl_3WPA.pdb: