Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MKF-NPNQRYTRWSIRRLSVGVASVVVASGFFVLVGQPSSVRADVVNPTPGQVLPEETSGTKEGDLSEKPGDTVLTQAKPEGVTGNTNSL-----------PTPTERTEVSEETNSSSLDTLFEKDEEAQKNPE------------LTDVLKETVDTADVDGTQASPAETTPEQVKGGVKENTKDSIDVPAAYLEKAEGKGPFTAGVNQVIPYELFAGDGMLTRLLLKASDNAPWSDNGTAKNPALPPLEGLTKGKYFYEVDLNGNTVGKQ--GQALIDQLRANGTQTYKATVKVYGNKDGKADLTNLVATKNVDININGLVAKETVEKAVA----------DNVKDSIDVPAAYLEKAKGEGPFTAGVNHVIPYELFAGDGMLTRLLLKASDKAPWSDNGDAKNPALSPLGENVKTK--GQYFYQVALDGNVAGKEK---QALIDQFRANGTQTYSATVNVYGNKDGKPDLDNIVATKKVTININGLISKETVQKAVADNVKDSIDVPAAYLEKAKGEGPFTAGVNHVIPYELFAGDGMLTRLLLKASDKAPWSDNGDAKNPALSPLGENVKTKGQYFYQVALDGNVAGKEKQ------ALIDQFRANGTQTYSATVNVYGN-KDGKPDLDNIVATKKVTININGLI--SKETVQKAVADNVKDSIDVPAAYLEKAKGEGPFTAGVNHVIP-YELFAGDGMLTRLLLKASDKAPWSDNGDAKNPALSPLGENVKTKGQYFYQVALDGNVAGKEKQALIDQFRANGTQTYSATVNVYGNKDGKPDLDNIVATKKVTININGLISKETVQKAVADNVKDSIDVPAAYLEKAKGEGPFTAGVNHVIPYELFAGGGMLTRLLLKASDKAPWSDNGDAKNPALSPLGENVKTKGQYFYQLALDGN---VAGKEKQALI-DQFRANGTQTYSATVNVYGNKDGKPDLDNIVATKKVTININGLISKETVEKAVADNVKDSIDVPAAYLEKAKGEGPFTAGVNHVIPYELFAGDGMLTRLLLKASDKAPWSDNGDAKNPALSPLGENVKTKGQYFYQLALDGNVAGKEKQALIDQFRANGTQTYSATVNVYGNKDGKPDLDNIVATKKVTIKINVKETSDTANGSLSPSNSGSGVTPMNHNHATGTTDSMPADTMTSSTNTMAGENMAASANKMSDTMMSEDKAMLPNTGETQTSMASIGFLGLALAGLLGGLGLKNKKEEN 5MQN Chain:A ((30-1102)) LLREQFQNPSDEAKPWTFWYWMFGAVSKEGITADLEAM-KRAGLGGTYLMPIKGIKEGPQYNG-KAQQLTPEWWEMVRFSMEEADRLGLKLGMHICDGFALAGGPWMTPKESMQKIVWSDTIVDGGKIKGLHLPQPEAYEGFYEDISLFALPVKEEAADVMPAQITCANIATGNHIDIKKTVNMDDAGVIRSSYPCYIQYEYEQPFTCRNIEII---LSGNNYQAHRLKVMASDDGV---------------------NYRLVKQLVPARQGWQNTDENSTHAIPATTARYFRFYWTPEGSEPGSEDMDAAKWKPNLKIKELRLHREARLDQWEGKAGLVWRVASSTKKEEIGEQDCYALSQ----IINLTDPFTLTATLPKGKWKLLRMGHTATGHTN-ATAGGGKGLECDKFNPKAVRKQFDNWFAQAFVKTNPDVARRVLKYMHVDSWEC-GSQNWSDTFAAEFRKRRGYDLMPYLPLLAGIPMESAERSEKILRDVRTTIGELVVDVFYQVLADCAKEYDCQFSAECVAPTMVSDGLLHYQKVDLPMGEFWLNSPTHDKPNDMLDAIS-GAHIYGKNIIQAEGFTEVRGTWNEHPGILKALLDRNYALGINRLFFHVYVHNPWLDRKPGM---------TLDGIGLFFQRDQTWWNKGAKAFCEYITRCQSLLQ-----------YGHPVADIAVFTGEEMPRRSILPERLVPSL-------------------------------PGIFGAERVESERIRLANEGQPLRVRPV------GVTHSANMSDPEKWVNPLRGY-------------AYDSFN-KDALLRLAKAENG-----------RMTLPGGASYKVLVLPLPR-PMNPDPAALSPEVKQKINELKEAGILIPSLPYKEDDFSSYGLERDLIVPENIAWTHRQGEQGDIYFIANQLEET------RTFTASMRIDGR------KPECWNPVTGEINADIPYEQKSH---------RTEITLTLAPNESVFIVYP----------------ATGLEATEYTVTFTANGKTIQRQELFDWSKEEDEQIRYY--SGTAVYKTTFRWKSKVKEDQ-----------QVYLNLGKVCDLATVRVNGIDCGTIWTAPYRADITAA--------LKKGVNELEIEVT----NTWANALKGADEGKAPFDGIWTNAKYRRAENTLLPAGLLGPLNFDVAN---

General information: TITO was launched using: RESULT: Template: 5MQN.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 : 5989 271013 45.25 276.54 target 2D structure prediction score : 0.46 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 45.25 2D Compatibility (Sec. Struct. Predict.) : 0.46 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.116

(partial model without unconserved sides chains): PDB file : Tito_5MQN.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5MQN-query.scw PDB file : Tito_Scwrl_5MQN.pdb: