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



Input alignment information:
Query sequenceMQLDSPGTLKQCLISQ--------RPLQGGLTHDNTLLIC-ADGSQWVCKRSLGRHQSGLATEANVYSLLVNTRFALPIKLVHLDIASQ-----MLLRPYIEGTT--TTSWAQLSIEQAILLLKAIHQITATHHGKVSSPTSLTLNPANQLRVIWRYF------------RSRTSQRAKMMDIYGKLSTILQNRQSLFNTLSTFTLNHGDFHPGNLIATPAQQLVPIDWERAHFGDPAFDLALINWHGQDPIVNSALQARAIALYTQCPAEQVALQKRVVCWSLVRLFNDYLYL----TSNGLKVDKLAHFEE-----TTAMLLNAAS
3I1A Chain:A ((3-330))KQPIQAQQLIELLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHDEINLSIIRLLHDSGIKEIIFPIHTLEAKLFQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQLRKEIYSPKWREIVRSFYNQIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNVWNKPHEIQYFYEGYGEINVDKTILSYYRHERIVEDIAVYGQDLLSRNQNNQSRLESFKYFKEMFDPNNVVEIAFATE


General information:
TITO was launched using:
RESULT:

Template: 3I1A.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 : 1294 -34248 -26.47 -117.69
target 2D structure prediction score : 0.53
Monomeric hydrophicity matching model chain A : 0.64

3D Compatibility (PKB) : -26.47
2D Compatibility (Sec. Struct. Predict.) : 0.53
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.313

(partial model without unconserved sides chains):
PDB file : Tito_3I1A.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3i1a-query.scw
PDB file : Tito_Scwrl_3I1A.pdb: