Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKGLFEKRCKYSIRKFSLGVASVMIGATFFGTSPVLADSVQSGSTANLPADLATALATAKENDGHDFEAPKVGEDQGSPEVTDGPKTEEELLALEKEKPAEEKPKEDKPAAAKPETPKTVTPEWQTVEKKEQQGTVTIREEKGVRYNQLSSTAQNDNAGKPALFEKKGLTVDANGNATVDLTFKDDSEKGKSRFGVFLKFKDTKNNVFVGYDKDGWFWEYKSPTTSTWYRGSRVAAPETGSTNRLSITLKSDGQLNASNNDVNLFDTVTLPAAVNDHLKNEKKILLKAGSYDDERTVVSVKTDNQEGVKTEDTPAEKETGPEVDDSKVTYDTIQSKVLKAVIDQAFPRVKEYSL-NGHTLPGQVQQFNQVFINNHRIT---PEVTYKKINETTAEYLMKLRDDAHLINAEMTVRLQVVDNQLHFDVTKIVNHNQVTPGQKIDDERKLLSSISFLGNALVSVSSDQTGAKFDGATMSNNTHVSGDDHIDVTNPMKDLAKGYMYGFVSTDKLAAGVWSNS------QNSYGGGSNDWTRLTAYKETVGNANYVGIHSSEWQWEKAY---KGIVFPEYTKELPSAKVVITEDANADKKVDWQDGAIAYRSIMNNPQGWKKVKDITAYRIAMNFGSQAQNPFLMTLDGIKKINLHTDGLGQGVLLKGYGSEGHDSGHLNYADIGKRIGGVEDFKTLIEKAKKYGAHLGIHVNASETYPESKYFNEKILRKNPDGSYSYGWNWLDQGINIDAAYDLAHGRL-ARWEDLKKKLGDGLDFIYVDVWG-NGQSGDNGAWATHVLAKEINKQGWRFAIEWGHGGEYDSTFHHWAADLTYGGYTNKGINSAITRFIRNHQKDAWVGDYRSYGGAANYPLLGGYSMKDFEGWQGRSDYNGYVTNLFAHDVMTKYFQHFTVSKWENGTPVTMTDN-----GSTYKWTPEMRVELVDADNNKVVVTRKSNDVNSPQYRERTVTLNGRVIQDGS------------AYLTPWNWD-ANGKKLSTDKEKMYYFNTQAGATTWTLPSDWA-KSKVYLYKLTDQGKTEEQELTVKDGKITLDLLANQPYVLYRSKQTNPEMSWSEGMHIYDQGFNSGT---LKHWTISGDASKAEIVKSQGANDMLRIQGNKEKVSLTQKLTGLKPNTKYAVYVGVDNRSNAKASITVNTG-EKEVTTYTNKSLALNYVKAYAHNTRRNNATVDDTSYFQNMYAFFTTGSDVSNVTLTLSREAGD-EATYFDEIRTFENNSSMYGDKHDTGKGTFKQDFENVAQGIFPFVVGGVEGVEDNRTHLSEKHDPYTQRGWNGKKVDDVIEGNWSLKTNGLVSRRNLVYQTIPQNFRFEAGKTYRVTFEYEAGSDNTYAFVVGKGEFQSGRRGTQASNLEMHELPNTWTDSKKAKKATFLVTGAETGDTWVGIYSTGNASNTRGDSGGNANFRGYNDFMMDNLQIEEITLTGKMLTENALKNYLPTVAMTNYTKESMDALKEAVFNLSQ--ADDDISVEEARAEIAKIEALKNALVQKKTALVADDFASLTAPAQAQEGLANAFDGNLSSLWHTSWGGGDVGKPATMVLKEATEITGLRYVPRGSGSNGNLRDVKLVVTDESGKEHTFTATDWPDNNKPKDIDFGKTIKAKKIVLTGTKTYGDGGDKYQSAAELIFTRPQVAETPLDLSGYEAALAKAQKLTDKDNQEEVASVQASMKYATDNHLLTERMVEYFADYLNQLKDSATKPDAPTVEKPEFKLSSVASDQGKTPDYKQEIARPETPEQILPATGESQFDTALFLASVSLALSALFVVKTKKD 2ZXQ Chain:A ((23-1206)) -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------ASETLKTKKMEVQIKKNFPSVLQYTMTDGKVMYGQSKDVRTVEINGTNIELGDDDVTFKKVSDTEATYTLKVKDEAKKIDAVITVQITVKANQLHLNVTKIKNNLSEGIPEGNGVEENAIQTLSFPNQSLVSVRSSQENAQFTGARMSSNTQKPGDTNFAVTEDTNVTDSDYTYGFISGAGLSAGLWSNSEHDGTYVAAPVRGGSQNTRVYATTQQTGDATSLGLASAPWYYHRTVTDSKGKKYTVAETALPQMAVAIAGDENEDGAVNWQDGAIAYRDIMNNPYKSEEVPELVAWRIAMNFGSQAQNPFLTTLDNVKKVALNTDGLGQSVLLKGYGNEGHDSGHPDYGDIGQRLGGADDMNTMMEEGSKYGARFGVHVNASEMYPEAKAFSEDMVRRNSAGGLSYGWNWLDQGVGIDGIYDLASGSRVSRFADLSKEVGDNMDFIYLDVWGNLTSSGSEDSWETRKMSKMINDNGWRMTTEWGSGNEYDSTFQHWAADLTYGGYTSKGENSEVMRFLRNHQKDSWVGDYPQYGGAANAPLLGGYNMKDFEGWQGRNDYAAYIKNLYTHDVSTKFIQHFKVTRWVNNPLLTADNGNAAAVSDPNTNNGNEQITLKDSNGNVVVVSRGSNDTSSAAYRQRTITFNGVKVASGVVSAGDGSATGDESYLLPWMWDSFTGKLVKDSEQKLYHWNTKGGTTTWTLPDSWKNLSSVKVYQLTDQGKTNEQTVAVSGGKVTLTADAETPYVVYKGEAKQIQVNWSEGMHVVDAGFNGGSNTLTDNWTVSGSG---KAEVEGDNNAMLRLTG---KVDVSQRLTDLKAGQKYALYVGVDNRSTGDASVTVTSGGKVLATNSTGKSIAKNYIKAYGHNT--NSNTENGSSYFQNMYVFFTAPEN-GDATVTLSHKSTDGAHTYFDDVRIVENQYSGITYEKDGTLKSLTNGFENNAQGIWPFVVSGSEGVEDNRIHLSELHAPFTRAGWDVKKMDDVLDGTWSVKVNGLTQKGTLVYQTIPQNVKFEAGAKYKVSFDYQSGSDDIYAIAVGQGEYSAGSVKLTNLK----------KALGETGKAEFELTGGVNGDSWFGIYSTATAPDLQGSTGNAQDFGGYKDFVLDNLKIERIESQTR--TKAEAQDKVKEIRGKYDSKRAWQQYQDTLVKARVLINKNGATAEDFTKAYDILVALDEYMKTAP----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 2ZXQ.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 : 7658 529956 69.20 466.10 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.74 3D Compatibility (PKB) : 69.20 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.465

(partial model without unconserved sides chains): PDB file : Tito_2ZXQ.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ZXQ-query.scw PDB file : Tito_Scwrl_2ZXQ.pdb: