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 4CRM Chain:P ((87-543)) ----------------YSANSFKLHRLPTPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKP----------QYVDNIPRAIKGPVQKV--------GELLKLRMEKSPEDVKRYIKILQ-LENVLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLL-APTKYVICVEHDLSVLDYLSDFV--------CIIYGVPSVYGVVTLP------------ASVREGINIFLDGHIPAENLRFRTEALQFRIADAT----EDLQNDSASR-----AFSYPSLKKTQGDFVLNVEEGE--FSDSEI-------------LVMMGENGTGKTTLIKLLAGALKPDEGQDIPKLNVSMKPQKIAPKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDDI---------------IDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEG---------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CRM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 1829 8116 4.44 19.94 target 2D structure prediction score : 0.57 Monomeric hydrophicity matching model chain P : 0.69 3D Compatibility (PKB) : 4.44 2D Compatibility (Sec. Struct. Predict.) : 0.57 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.335

(partial model without unconserved sides chains): PDB file : Tito_4CRM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRM-query.scw PDB file : Tito_Scwrl_4CRM.pdb: