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



Input alignment information:
Query sequenceMIQFDQVSLR-RGGRVLFQKASMQLHPGWKIGLTGVNGAGKSTLFAALLGSLGADEGSLTRPSVWTVAHMAQEVK-ALDMPAIDFVLSGDEEYWDIQNKLAQPEQ---LTDS-------DLAKLHGRFDEIHGYSAPSKAAQLMAGLGFLEHQLRLNVASFSGGWRMRLNLARTLMSRSDLLLLDEPTNHLDLDAILWLEDWLKAYEGTLILISHDRDFLDAITDHILHIENQELTLYTGNYSTFETTRSERLAQQQQAFEKQQEARAHLQKFIDRFKAKATKARQAQSRIKQLERMQQLAPAHVDTPFTFSFREPTKMSSPLLTLENASIGYGDKKIAEKIKLQITPNSRIGLLGMNGAGKSTLIKSLVGDLPLLAGERKASELLNIGYFAQHQMDALDGQASPMLQLARIAD---KQISEATLRSFLGSFGFSGERMDTPCESFSGGERARLALALIVWQRPNVLILDEPTNHLDLDMRHALSMALQDFEGAVVLVSHERQLIASVCDELLLVHGGKCTE-FEGDLQDYAKWLREARQQQINAQTAVAQNNSSSAAPAPAKVDKEAQRKEAARRREQTRPIRKNIEKVESQIEKLQPRLAEIEEALADTSLYEANRKDDLLKLMNEQTELKAKLEQYEEQLLELMMELEEMEASFEN
3J5S Chain:D ((9-533))----HRVGKVVPPKRHILKNISLSFFPGAKIGVLGLNGAGKSTLLRIMAGIDKDIEGEARPQPDIKIGYLPQEPQLNPEHTVRESIEEAVSEVVNALKRLDEVYALYADPDADFDKLAAEQGRLEEIIQAHDGHNLNVQLERAADALRLP--DWDAKIANLSGGERRRVALCRLLLEKPDMLLLDEPTNHLDAESVAWLERFLHDFEGTVVAITHDRYFLDNVAGWILELDRGEGIPWEGNYSSWLEQKDQRLAQEASQEAARRKSIEKELEWVRQGT-KG-RQSKGKARLARFEELNSTEYQKRNETNELFIPPGPRLGDKVLEVSNLRKSYGDRLLIDDLSFSIPKGAIVGIIGPNGAGKSTLFRMISGQEQPDSGTITLGETVKLASVDQFRD-SMDNSKTVWEEVSGGLDIMKIGNTEMPSRAYVGRFNFKGVDQGKRVGELSGGERGRLHLAKLLQVGGNMLLLDEPTNDLDIETLRALENALLEFPGCAMVISHDRWFLDRIATHILDYQDEGKVEFFEGNFTEYEEY-----------------------------------------------------------------------------------------------------------------------------


General information:
TITO was launched using:
RESULT:

Template: 3J5S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2459 88550 36.01 173.97
target 2D structure prediction score : 0.57
Monomeric hydrophicity matching model chain D : 0.73

3D Compatibility (PKB) : 36.01
2D Compatibility (Sec. Struct. Predict.) : 0.57
1D Compatibility (Hydrophobicity) : 0.73
QMean score : 0.422

(partial model without unconserved sides chains):
PDB file : Tito_3J5S.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-3J5S-query.scw
PDB file : Tito_Scwrl_3J5S.pdb: