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



Input alignment information:
Query sequence-----------------------------------MRGFFGKAIFVVLAVFIMMPLLG-IEAVRAS-------ELQQH---------------VYDRAHLLSKAEIGKLESLSAKLGAKRDTDFI-----------------IITTKSTNGEDIADYTGDFYDRYGKGSTAIL-----------------TIDMTN-----REVFIAGFKKAEQYLDNSRLNSIRNTISSDLSNENYFEAFETYIQLSYKDMGIKPGVNPDNIFFTW---WFQ-LIAAIAVGGIAVSIMLYHAGGKVTVNGSTYMDQ-----RTSDVIDQYDTYIRTTVTRERKPSDKDSGSDGGVTKGG---------TSYSGSRGSF----
4H2Q Chain:A ((10-379))KTRRAEVAGGGFAGLTAAIALKQNGWDVRLHEKSSELRAFGAGIYLWHNGLRVLEGLGALDDVLQGSHTPPTYETWMHNKSVSKETFNGLPWRIMTRSHL-HDALVNRARALGVDISVNSEAVAADPVGRLTLQTGEVLEADLIVGADGVGSKVRDSIGFKQDRWVSKDGLIRLIVPRMKKELGHGEWDNTIDMWNFWPRVQRILYSPCNENELYLGLMAPAADPRGSSVPIDLEVWVEMF-PFLEPCLIEAAKLKTARYDKYETTKLDSWTRGKVALVGDAAHAMCPALAQGAGCAMVNAFSLSQDLEEGSSVEDALVAWETRIRPITDRCQALSGDYAAN-RSLSKGNMFTPAALEAARYDPLRRVYSWPQ


General information:
TITO was launched using:
RESULT:

Template: 4H2Q.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 : 1199 -109693 -91.49 -437.02
target 2D structure prediction score : 0.39
Monomeric hydrophicity matching model chain A : 0.66

3D Compatibility (PKB) : -91.49
2D Compatibility (Sec. Struct. Predict.) : 0.39
1D Compatibility (Hydrophobicity) : 0.66
QMean score : 0.111

(partial model without unconserved sides chains):
PDB file : Tito_4H2Q.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4H2Q-query.scw
PDB file : Tito_Scwrl_4H2Q.pdb: