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



Input alignment information:
Query sequence-MNNEKIENI-FDKFEINIKEIKSATNSFNSNVYIITSVDDKRYV-LKFCNNEKKMLNESKY-MKYLKPYIPVAD-VVGTGD---CDEKYYI-IQSFFEGSNKFDEEANE-LSDEQVRNIGI--LLAKL-HSCELLDESSNSWIIYLNGCLEKTVETLEKIFGKENNKKISD-FLS-NYINEKL--SNNYKNSILHMDFRIGNV-MFGKNDEI-GLIDLESMKNGEYV-FDFVKVN-RLFNNDKFL-------KFMEGYNTIKAVDSNFEER--------LNFYSLFD-SYTSLWWCAT-KNQLDSEFYKLNYKIVMKYLAK-LN-KDGVI-----
3DXP Chain:A ((20-359))RFDTEALEAWMRQHVEGFAGPLSVEQFKGQSNPTFKLVTPGQTYVMRA---KPGAIEREYRVMDALAGTDVPVAKMYALCEDESVIGRAFYIMEFV--SGRVLWDQSLPGMSPAERTAIYDEMNRVIAAMHTVDYQAIGLGDYG-KPGNYFQRQIERWTKQYKLSETESIPAMDSLMDWLPQHIPQEDADLTSIVHGDYRLDNLMFHPTEPRVLAVLDWELSTLG-HPMGDFGYHCMSWHIAPGQFRGIAGLDHAALGIPDEASYRKLYEQRTGRPITGDWNFYLAFSMFRIAGILQGIMKRVVDGTASSAQALDAGKRARPMAEMGWEYAKKAKQ


General information:
TITO was launched using:
RESULT:

Template: 3DXP.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 : 1280 70166 54.82 247.06
target 2D structure prediction score : 0.46
Monomeric hydrophicity matching model chain A : 0.61

3D Compatibility (PKB) : 54.82
2D Compatibility (Sec. Struct. Predict.) : 0.46
1D Compatibility (Hydrophobicity) : 0.61
QMean score : 0.261

(partial model without unconserved sides chains):
PDB file : Tito_3DXP.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3dxp-query.scw
PDB file : Tito_Scwrl_3DXP.pdb: