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



Input alignment information:
Query sequenceMNKQTLSYDEETRGKTVINHMGGVFLYNRPEQILEQYELEVKSISRGR-----D--SYQCDTEQGPKILREYRGSKERAGFLADMLDHLSGQGRT-VETVMRTKEGEPFSVNEEETKYILYQAFPGAECDTK--NRADMLSAVRELALLHQSAQNYEGSVPEFLKSGQNNLLLLYEKRNRELNKVRNYIRAKKKKNDFEMMFAVWYP---EYVKKAQETTDIL-KDLGIQEQLIGFCHGDYNQHNVIFSR-EGIAVVHFENFLYQESVGDLANFIRKMMEKNNWN-AGLGMDLIRGYDRVRKLSPEELKYLYVYLAYPEKFWKIANRYYNSHKAWLSGRNIEKLEKVVAQEDAREQFLQMLFHFTV
3I1A Chain:B ((14-272))-------------------------------LLKVHYGIDIHTAQFIQGGADTNAFAYQADSESKSYFIKLKYGYHD--EINLSIIRLLHDSGIKEIIFPIHTLEAKL-FQQLKHFKIIAYPFIHAPNGFTQNLTGKQWKQLGKVLRQIHETSVPISIQQQL----RKEIYSPKWREIVRSFYN---QIEFDNSDDKLTAAFKSFFNQNSAAIHRLVDTSEKLSKKIQPDLDKYVLCHSDIHAGNVLVGNEESIYIIDWDEPMLAPKERDLMFIGGGVGNV--WNKPHEIQYFYEGYGEINV----------------------------------------------------------------


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 B - contact count / total energy / energy per contact / energy per residue : 904 29632 32.78 121.94
target 2D structure prediction score : 0.49
Monomeric hydrophicity matching model chain B : 0.64

3D Compatibility (PKB) : 32.78
2D Compatibility (Sec. Struct. Predict.) : 0.49
1D Compatibility (Hydrophobicity) : 0.64
QMean score : 0.221

(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: