Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MAEVEQQPTSAPSSPKKRRILRSFLLTILIILLLLVASIIIMMSTDRGSRFLLDRVLQAQQVIKYEYEGGNLLRGIILKNIIAQLKEVDVTLDRADVRLGWRSLILEKEVHLSNADIR----NLVIINKAPPSDKPFEFKPIKLPFVLRVDVGDVDHLEIKNSGSVVNFHDVHLNDALWSETKLKFENSSMDMG-YLSVHNATGNMDFSGKYPLNATADLRIPSLKSLNIQNIKVAAWGSLDTLQAGVATTTPDLLTGWVVLHPVRHEVPMQGALLLKNYHLPLLVEQKLFAKNGVIKFQGDIKQLNLALETDLKGENLPEGQYNALMNTDLVHQLNITDFNGQVMKGAVNLKGLVNWKDHVTWDIKGRLDHVNPKDKAIPQVVQDFLPPSLDAAVSSTGSLEKGTEVFANVDFDRYESWKLKLNQAPEKNKKPQPMFMNVAW--ANIDRAMPYIGWLSSGSGQVDLTLRDGQQDIKVSTKVYQHEQTLLPAGQYLATLNVKDNILNVPSFSFAAQKGSLTGQAKALLPSEKRQLAWNALLNAKDFNPQSIHTAAPVNLLNGSIKASGFAKPSQQIIQLEKIDLKGRLAQAGQEMVALAGKSTAALLFNDVKAGGGFKGFAVNYDGSLKALNQANGLLKFSI-AGTPEFIRISQLQHDGVAGKIYATGALNLKDRIAWDINSSLVRFKPQYFASSVKGEISGNVKTQGIWSDKLKRIDIQQLNLAGYLNNKPVRGKGNLSILMDSNQKGFLPQQFEANNLFLVYA---QNQLQATGNAQNLKIKLNAPALY-ELYPGLSGRAYGDLSVQSQPRLKATANIAVDNFAFNTLVSIKKLRIQGELPTSETTPTQLTAKLDNLRSGSRQIQSAEVNLTGTRKAHLLKVQGNNNVSKFYVQLAGGFNAKNDWLGQIQKGSFDSRRIRLAQNQNAPVVFSSARSELYVGQHCWQSTNSQLCLDQPVRVSKAQGNISFVTQNLDLGDFAAFMPEGLAMTGQLNGYAKASWVNGGHPKLDARLVTRKGELGLAAEDPQDPPTTLAYDELSVIAKSISEGLLF--RVDVKTPDIGTGYANVIINPYQSSMPMHGEVAFNDVQLKVLK--PFIQ------DVRSMSGTLALAGKVNGTLTQPQFTGEMRLKNGAISMISLPVNLTNVQVYSSIRQDMATIDGAFNSGQGVGLLKGSFDWKNAPRLQLNLKGDN----LLVRQAPLITAIANPNLTLDMYPFDKRLSLKGSVDVPRARISMPETTAPVVNTSSDVRIVRQGQDPLAILRAAKPWDIRADISVNIGNQVIFQ---GFNSNIPLVGRLNLTQRGYETAMRAMGAIGVSQKVKIEAYGQSLDLNRAIARFNGPLANPTLDIDANKNVQGSMVGVRVTGTASSPNIQVYNDAGLSEQEALNALVTGRIN-EGASGLSNAEGFKSDVNNTIAAAGISMGLGGTRALTNQIG----RTFGLSGLALDAQGTGDDTQVSLT--GYITPDLFIRYGVGVFTPVNKLTLRY-----QMNRRLYLEASQSLERAIDLFYNWRF 5H41 Chain:A ((2-1114)) ---GILKTLSAP------------------IILENSNSTFTFLPGGDNFEWIHESIM----INAFQ---GNTLDGST-NNLYLRIYK--------DNSLAFYPLIGMN----SKSTIKSGTSTLIFEGTAED---------ISYTVTFRLTPYGIWFWDISLSGNCNKADIIYSQD-IGVGTKGSVNSNELYLAQYLGHSIFQGD--------------------YGYVICSRQNMAQGDL---------------------FP----YLQQGSLGIR-----------------SIAYSTDGTQF---FGLSYKKTNIPEALYGDLPSKNKQYEL----AHTALQTEAFSLSG----TKQFSFYGICKTNH--------PEVIRE---------IEYIQELEKAYA--------YHESGEILPVNVPTLQNIGAP-YASSRWDAKQVEHYFP----------KRLLEEKEEEALLSFFTP----------------------------------EKSHVVLQDKEL---TTERPHGHILMTNFDVTKVPQGVVSSTNYMYGAFNCQ----------------------------------------------------FVVGNTTYNKLLSNHRGLLNIQKDSGQRIFIKI---------GDCYRQLTLP----AAYEMNVA---------GSTWYYQLDEDVLIITSFA----------------MYNRP-------EIVLKVQSLGHKKYDFIVTHQLTVGPNEYENEIKLTREGNILQLSPTDPVVTNHFYPELSFRMR----------IPEDCTLSDDSIFFHNNTTI--------------NPSLLSIEILQKSSFDIVMQGFDTGNVIPFLDQYDYKEQLEAYRIYYDQLVCNFKLSAP--DKIPLSAEKLNAIIHWYAHDALIHFASPHGLEQSGGAAWGTRDV------------CQGPIEFFLTTGHFDLVRHILITLYSHQIE-GGFEWPQWFMFDH-------------YPIHQEDCHGDVVFWPLKAISDYIQATGDTSILNELVDYRTAK------DALPTNQPETILIHIKRAVTTIKNRYLSGTALISYAGGDWDDTLQPANSELKENLVSAWTQALAEQTLELLCSAIKGIDHDFSKELSHMANDIRTSFYQY---LIKD---GVIAGFLYRESEEHMKYMLHPDDTESSIHYRLLPLTRSII-------AQLADFKLATR-NLEIIDEHLACPD----------GVRLM---DHPASYSGGISKIFLRAEQAANVGREISLQYVHAHIRYIEALATMGLSKKAWDALMRI---------------------------------NPILLTDYVPNALTRQSNVYFSSSEGCF------DDRYEYAKNFDKLRTGDINVKGGWRLYSS-------GPGIYIRRIIADLLGIRFGHNVIHIDPVVTKELDGVTLQFTCFGKTVFFTYHVDDTMDKHICVKSN-NNILPGDNLNNIYRDGGIQIAKDVFLSAAMS-DNNFHIYVKN--

General information: TITO was launched using: RESULT: Template: 5H41.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 : 7015 89487 12.76 83.48 target 2D structure prediction score : 0.43 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 12.76 2D Compatibility (Sec. Struct. Predict.) : 0.43 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.187

(partial model without unconserved sides chains): PDB file : Tito_5H41.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5H41-query.scw PDB file : Tito_Scwrl_5H41.pdb: