Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MGKGHWNRKRVYSIRKFAVGACSVMIGTCAVLLGGNIAGESVVYADETLITHTAEKPKEEKMIVEEKADKALETKNVVERTEQSEPSSTEAIASEKKEDEAVTPKEEKVSAKPEEKAPRIESQASSQEKPLKEDAKAVTNEEVNQMIENRKVDFNQNWYFKLNANSKEAIKPDADVSTWKKLDLPYDWSIFNDFDHESP-AQNEGGQLNGGEAWYRKTFKLDEKDLKKNVRLTFDGVYMDSQVYVNGQLVGHYPNGYNQFSYDITKYLYKDGRENVIAVHAVNK-QPSSRWYSGSGIYRDVTLQVTDKVHVEKNGTTILTPKLEEQQHGKVETHVTSKIVNTDDKDHELVAEYQIVERGGHAVTGLVRTASRTLKAHESTSLDAILEVERPKLWTVLNDKPALYELITRVYRDGQLVDAKKDLFGYRYYHWTPNEGFSLNGERIKFHGVSLHHDHGALGAEENYKAEYRRLKQMKEMGVNSIRTTHNPASEQTLQIAAELGLLVQEEAFDTWYGGKKPYDYGRFFEKDATHPEARKGEKWSDFDLRTMVERGKNNPAIFMWSIGNEIGEANGDAHSLATVKRLVKVIKDVDKTRYVTMGADKFRFGNGSGGHEKIADELDAVGFNYSED---NYKALRAKHPKWLIYGSETSSATRTRGSYYRPERELKHS------------------------NGPERNYEQSDYGNDRVGWGKTATASWTFDRDNAGYAGQFIWTGTDYIGEPTPWHNQNQTPVKSSYFGIVDTAGIPKHDFYLYQSQWVSVKKKPMVHLLPHWNWENKELASKVADSEGKIPVRAYSNASSVELFLNGKSLGLKTFNKKQTSDGRTYQEGANANELYLEWKVAYQPGTLEAIARDESGKEIARDKITTAGKPAAVRLIKEDHAIAADGKDLTYIYYEIVDSQGNVVPTANNLVRFQLHGQGQLVGVDNGEQASRERYKAQADGSWIRKAFNGKGVAIVKSTEQAGKFTLTAHSDLLKSNQVTVFTGKKEGQEKTVLGTEVPKVQTIIGEAPEMPTTVPFVYSDGSRAERPVTWSLVDVSKPGIVTVKGMADGREVEARVEVIALKSELPVVKRIAPNTNLNSVDKSVSYVLTDGSVQEYEVDKWEIAEEDKAKLAIPGSRIQATGYLEGQPIHATLVVEEGNPAAPVVPTVTVGGEAVTGLTSRQPMQYRTLSYGAQLPEVTASAENADVTVLQASAANGMRASIFIQPKDGGPLQTYAIQFLEEAPKIAHLSLQVEKADSLKEDQTVKLSVRAHYQDGTQAVLPADKVTFSTSGEGEVAIRKGMLELHKPGAVTLNAEYEGAKGQVELTIQANTEKKIAQSIRPVNVVTDLHQEPSLPATVTVEYDKGFPKTHKVTWQAIPKEKLDSYQIFEVLGKVEGIDLEARAKVSVEGIVSVEEVSVTTPIAEAPQLPESVRTYDSNGHVSSAKVAWDAIRPEQYAKEGVFTVNGRLEGTQLTTKLHVRVSAQTEQGANISDQWTGSELPLAFASDSNPSDPVSNVNDKLISYNNQPANRWTNWNRSNPEASVGVLFGDSGILSKRSVDNLSVGFHEDHGVGAPKSYVIEYYVGKTVPTAPKNPSFVGNEDHVFNDSANWKPVTNLKAPAQLKAGEMNHFSFDKVETYAIRIRMVKADNKRGTSITEVQIFAKQVAAAKQGQTRIQVDGKDLANFNPDLTDYYLESVDGKVPAVTANVSNNGLATVVPSVREGEPVRVIAKAENGDILGEYRLHFTKDKNLLSHKPVAAVKQARLLQVGQALELPTKVPVYFTGKDGYETKDLTVEWEEVPAENLTKAGQFTVRGRVLGSNLVAEVTVRVTDKLGETLSDNPNYDENSNQAFASATNDIDKNSHDRVDYLNDGDHSENRRWTNWSPTPSSNPEVSAGVIFRENGKIVERTVAQAKLHFFADSGTDAPSKLVLERYVGPGFEVPTYYSNYQAYESGHPFNNPENWEAVPYRADKDIAAGDEINVTFKAVKAKVMRWRMERKADKSGVAMIEMTFLAPSELPQESTQSKILVDGKELADFAENRQDYQITYKGQRPKVSVEENNQVASTVVDSGEDSLPVLVRLVSESGKQVKEYRIQLTKEKPVSAVQEDLPKLEFVEKDLAYKTVEKKDSTLYLGETRVEQEGKVGKERIFTVINPDGSKEEKLREVVEVPTDRIVLVGTKPVAQEAKKPQVSEKADTKPIDSSEADQTNKAQLPNTGSAASQAAVAAGLALLGLSAGLVVTKGKKED 3GM8 Chain:A ((4-798)) ----------------------------------------------------------------------------------------------------------------------------------------------------GETINFCKGWKFHLGDAGKGASSSSYNDSQWRILNIPHDWSIEGTYKQFENGTDWQSGFLPAGISWYRKTFTIPSKWKNKKVQILFEGVYLNSEVWINGHWLGKRPNGYISFVYDLTPYLQE-G-KNQIAVKVDHSKALTGRWYTGSGIYRPVYLLVSNPTHIPYSGIHFRSKLQN-K--QSATYTLSIEIETQEK--KPIKVKTYLQAPNGSIADTS---EKIFV------LCFLSGSIRKPLLWSP--DSPNVYTLICQLTRDNKILDECRLPVGFRQLEFNPVSGFLLNGKSLKIKGVCDHHTVGAVGAAVPDDLLHYRLKLLKDMGCNAIRTSHNPFSPAFYNLCDTMGIMVLNEGLDGWNQPKAADD------------YGNYFDEWWQKDMTDFIKRDRNHPSIIMWSIGNEVTGAT-----PEIQHNLVSLFHQLDPDRPVTQGGTDP-------------NYLDIIGFNGNGEEIGELEHFHKNYPTLCAIATEVPHTYQTRGVYRSQTQWRRRDFPAPWEFKHRVFPIPDLTEKECFPEESDYPYYQSSYDNA--SVRISARKSWQRTCSFPWLMGEFRWGSFDYLGEAE-------WPQRCGNFGIIDIAAIPKDAYFLYQSLWT---DKPMVHLLPHWTHPG--------KEGKTIPVVIYTNCDAVELFINNVSLGSKPYT-----------------GEQLIWLVPYSPGKIEARGIK-KGKIVATDCYQSAEAPHSVALASNKYSVKAGSDEVIRIEIDITDKNGIPCPYASNELSFHVSGPLRLLGVDNGNPTDMFPYQQP-----HCRCFRGKCVVLLQSDEEKGKGTLTVQGTKLVEKKLIIEV------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 3GM8.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 : 4586 116876 25.49 157.73 target 2D structure prediction score : 0.60 Monomeric hydrophicity matching model chain A : 0.62 3D Compatibility (PKB) : 25.49 2D Compatibility (Sec. Struct. Predict.) : 0.60 1D Compatibility (Hydrophobicity) : 0.62 QMean score : 0.411

(partial model without unconserved sides chains): PDB file : Tito_3GM8.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3GM8-query.scw PDB file : Tito_Scwrl_3GM8.pdb: