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



Input alignment information:
Query sequenceMQKALSFLKPYSLLAGIALILMLTELAVELMQPLLIAKIIDDGILKQ--DL--RHVWIWGTVMIGLTVLSFAAGMLNSFYAAHVSQSFSYDTRKGLFQKIQSFSYSTFGQFSSSSYITRLTNDVTQVQNMIFMSLRFMLRAPLMIAGGIVLSLAVNVKLGFFLLVTIPILILFLLWVLRKGGALFRSVQKRLDQVNTIMQENLIAIKLIKALLRGSHEVKRFIKANTRLMEKTVSAFQLVEFTMPVLM-LLMNLCILLILWAGSYSITSGSTQVGDVVAIINYATRITGALSMFPFLIMIFTRAKASGDRIGEVLETEGDEREEGTISDR-LSGRIEFQHVSFRYPEMDREALRNVSFSAKPRETIAILGATGSGKSTLFQLIPRLYQPDSGRIYIDEKPVQDIPAEGLRRQIGYVPQEVLLFSGTIKENIAWGKENASLDEIMDAAKLAQIHETILKLPNGYDTVLGQRGVNLSGGQKQRISIARALIRKPAILLLDDSTSALDLQTEAKLLEAISTYH--CTTLIITQKITTAMKADQILLLEDGELIEKGTHSELLSESQLYKRIYESQFGREGSESC
4Q4A Chain:B ((25-592))LRRLLGYLRPHTFTLIMVFVFVTVSSILGVLSPYLIGKTIDVVFVPRRFDLLPRYMLILGTIYALTSLLFWLQGKI----MLTLSQDVVFRLRKELFEKLQRVPVGFFDRTPHGDIISRVINDVDNINNVLGNSIIQFFSGIVTLAGAVIMMFRVNVILSLVTLSIVPLTVLITQIVSSQTRKYFYENQRVLGQLNGIIEEDISGLTVIKLFTREEKEMEKFDRVNESL-RKVGTKAQIFSGVLPPLMNMVNNLGFALISGFGGWLALKDIITVGTIATFIGYSRQFTRPLNELSNQFNMIQMALASAERIFEILDLEEEKDDPDAVELREVRGEIEFKNVWFSY-DKKKPVLKDITFHIKPGQKVALVGPTGSGKTTIVNLLMRFYDVDRGQILVDGIDIRKIKRSSLRSSIGIVLQDTILFSTTVKENLKYGNPGATDEEIKEAAKLTHSDHFIKHLPEGYETVLTDNGEDLSQGQRQLLAITRAFLANPKILILDEATSNVDTKTEKSIQAAMWKLMEGKTSIIIAHRLNTIKNADLIIVLRDGEIVEMGKHDELIQKRGFYYELFTSQYG-------


General information:
TITO was launched using:
RESULT:

Template: 4Q4A.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 : 2224 -310335 -139.54 -554.17
target 2D structure prediction score : 0.70
Monomeric hydrophicity matching model chain B : 0.81

3D Compatibility (PKB) : -139.54
2D Compatibility (Sec. Struct. Predict.) : 0.70
1D Compatibility (Hydrophobicity) : 0.81
QMean score : 0.384

(partial model without unconserved sides chains):
PDB file : Tito_4Q4A.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4Q4A-query.scw
PDB file : Tito_Scwrl_4Q4A.pdb: