Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MIQFDQVSLRRGGRVLFQKASMQLH------PGWKIGLTGVNGAGKSTLFAALLGSLGADEGSLTRPSVWT---------------VAHMAQEVKALDMPAIDFVLSGDEEYWD-IQNKLAQPEQLTDSDLAKLHGRFDEIHGYSAPSKAAQLMAGLGFLEHQLRLNVASFSGGWRMRLNLARTLMSRSDLLLLDEPTNHLD----LDAILWLEDWLKAYEGTLILISHDRDFLDAITDHILHIENQELTLYTGNYSTFETTRSERLAQQQQAFEKQQEARAHLQKFID--------RFKAKATKARQAQSRIKQLERMQQLAPAHVDTPFTFSFREPTKMSSP-LLTLENASIGYGDKKIAEKIKLQITPNSRIGLLGMNGAGKSTLIKSLVG--------DLPLLAGERKASELLN--IGYFAQHQMDALDGQ-ASPMLQLARIADKQISEATLRSFLGSFGFSGERMDTPCESFSGGERARLALALIVWQRPNVLILDEPTNHLDLDMRHALSMALQDF----EGAVVLVSHERQLIASVCDELLLVHGGKCTEFEGDLQDYAKWLREARQQQINAQTAVAQNNSSSAAPAPAKVDKEAQRKEAARRREQTRPIRKNIEKVESQIEKLQPRLAEIEEALADTSLYEANRKDDLLKLMNEQTELKAKLEQYEEQLLELMMELEEMEASFEN 3J16 Chain:B ((87-543)) ----------------YSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKP----------QYVDNIPRAIKGPVQKV--------GELLKLRMEKSPEDVKRYIKILQ-LENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLL-APTKYVICVEHDLSVLDYLSDFV--------CIIYGVPSVYGVVTLP------------ASVREGINIFLDGHIPAENLRFRTEALQFRIADAT----EDLQNDSASR-----AFSYPSLKKTQGDFVLNVEEGE--FSDSEI-------------LVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDDI---------------IDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEG---------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3J16.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 : 1834 7546 4.11 18.54 target 2D structure prediction score : 0.58 Monomeric hydrophicity matching model chain B : 0.69 3D Compatibility (PKB) : 4.11 2D Compatibility (Sec. Struct. Predict.) : 0.58 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.334

(partial model without unconserved sides chains): PDB file : Tito_3J16.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3J16-query.scw PDB file : Tito_Scwrl_3J16.pdb: