Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MMTKINYQPWLQAVLTIAKHYRIEPSEERIRLQLDWNQNQNLDDVLQLMTRQIGLNLRKVPFSLDLLNPWRLPVMVEFNDGQVGVIDKADTQGNVSIQFSGDHGLSQNLSLDVLKTTIKNVYILRPETSIPDARIDEYIKPYEASWFWSIVLRDW-----KRYVDIMFASLIANVLALATIIFSMQVYDRVVPSQSIPTLWVLAGGVLIAALFEFTLRVSRVYLSDIIGKRADLRVSDRVFGHALRIKNKDRSKSTGSFISQIRELEGVRELVTSTTISAIADFPF---FFLFLIIFAIIGGKL-FWVMLLVVPLMLLPGILVQKKLAQLAQEGMRESSIRNAILVEAVQGIEDIKLLRAESRFQNQWNHMNEVSADIGMKQRKI--VGTLMAWTQKIQGLTYAIVVLVGCFAVMDGEITTGALVACSILSSRMLAPIAQITGVLGRLQQAKVAKQSLDELMQRPIDQADRSHLVHKAVLNGDYELKNVLFQYGEEDPKPSLAIRHLKIRAGEKIAILGRNGAGKSTLLQLLSGMQVPTQGAVHLDGLDLSLIDPSDVRRDMGLLNQNAHLFYGTIRENLTLGAPLATDEEILRALVVTGALPFVQEKKEGLDHLILEGGVGFSGGQKQALLLARLLIRQPNILLLDEPTAAIDDVAEKQLIDHLKGWLAHR-TLVVATHRRAVLELVDRIIVVNEGKIVMDGPRDQVLNQSTAQQKQVSQGGNS 5L22 Chain:B ((10-557)) ------------------------------------------------------------------------------------------------------------------------------------------------------VLRSYLAKYKKTLIIVGLFSLFINILFLLPSIYMLAVYDIVVPSTSVPTLLVITALAVVLYFALGLLQSVRAKVMQIISLKLDSELNKEVFTSSFEYAIRNPSKASAQPINDLYQL---KQFLTSPVLFAIFDLPWVPIYFGVLFVFHVYYGVMAILSMAVIVALAILNEYITKKKLKESNELLVRSTNFLNRALLNA----EVVEALGMRNNLYKKW--MNFYSKHLSAFEEATDRNNFLSNLTRIFRIMAQSLMLGLGGYLAIKHEITTGMIVAGSILLGRILGPIDTIVNGWRQIGNTKVAYTRLNEFLK--FL----------PEPKGEIELSNVVV-VPPEGKTPVLRNINMRILPGEFVAIIGPSGSGKSSLVRTILGIWLPVHGTVEIDGADLKQWDRDYFGKFVGYLPQDIELFEGTVAENIARFGELDS-EKIIEAAKLSGAHDVIIKLPDGYDTYIGPGGITLSGGQRQRIALARALYGNPRIVILDEPDSNLDEQGEQALYNALIELKKRKVTTIIVSHRIRLLNLVDKIAIMQDGTLKAFGKADIIIQK--------------

General information: TITO was launched using: RESULT: Template: 5L22.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2269 -39046 -17.21 -74.23 target 2D structure prediction score : 0.69 Monomeric hydrophicity matching model chain B : 0.72 3D Compatibility (PKB) : -17.21 2D Compatibility (Sec. Struct. Predict.) : 0.69 1D Compatibility (Hydrophobicity) : 0.72 QMean score : 0.413

(partial model without unconserved sides chains): PDB file : Tito_5L22.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5L22-query.scw PDB file : Tito_Scwrl_5L22.pdb: