Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRHKLGLLSSLGLSFISTLTWGEETSTVLETIRIQAESTREDVSQNSSATKFTHDVLDVPFNRAYLSKQIMEQQDVQRIDDALTLVSGVFHQNSFGGGFWDNYSFRGFSTDPNLGAAMIRNGLSVNRG--ISAPKDVVNIESLEFLKGPMAALYGRGETGGLLNLNSKKPQWESESELNLRANTQEQYHISLEHTAPIN--DELAYRLAVAHEDNQSFRDHVSSERWFFSPQLTWKISDQTQLDFDSEFTEHKGTF-DRGVSTV-NH-QFVMDPKTFTGEPDDGDLKIKDYFYQLHLSHEFNPDWKLNSAVSYKDAKMVGFATEPRR-MQAD-GR-ALERQRRYRDYTSEDVLAQTELLGKIDTS-WARHEILLSTELGQLDYKQNQLRRNHSTSSTNTIDI--YQPE-YG-KYLPNL-TPFTDTKERQRYFALNVQDQIFFNDQWSVLLGNRFDQVEQDFKNHIKQTEDNQTLHQNSPRFGVNFKASDQWAFYTNYGRSFAMNSGMNRNGQTFAPEKGESYEVGTKYKI-NDQSVLSLALFKMKKQNVLTTDPIDK-----DFQTAAGEVSSKGVEFDLNSQITDRWFINANYSYTDAQIEKDQDLAKG-ARLSNVPKHQGSVSTNYEFLQDGARKAGVGANLTYVGERSGHNLDNGFNLPSYTLVNLNGYYAPSDRLRYQLNVNNLFDKTYYVSSYSD-LWVQPCEPLNASISAQWKF 1XKW Chain:A ((2-665)) -----------------------STSATQPPGVTTL-------------GKVPLKPRELPQSASVIDHERLEQQNLFSLDEAMQQATGVTVQPFQ--LLTTAYYVRGFKVD-----SFELDGVPALLGNTASSPQDMAIYERVEILRGSNGLLHGTGNPAATVNLVRKRPQREFAASTTLSAGRWDRYRAEVDVGGPLSASGNVRGRAVAAYEDRDYFYDVADQGTRLLYGVTEFDLSPDTLLTVGAQYQHIDSITNMAGVPMAKDGSNLGLSRDTYLDV-DWDRFKWDTYRAFGSLEQQLGGGWKGKVSAEYQEADSRLRYAGSFGAIDPQTGDGGQLMGA-AYKFKSIQRSLDANLNGPV-RLFGLTHELLGGVTYAQGETRQDTARFLNLP-N-TPVNVYRWDPHGVPRPQIGQYTSPG---TTTTTQKGLYALGRIKLAEPLTLVVGGRESWWDQDTPA-----TRFKPGRQFTPYGGLIWDFARDWSWYVSYAEVYQP---------PLSPVEGKTYETGIKGELADGRLNLSLAAFRIDLENNPQEDPDHPGPPNNPFYISGGKVRSQGFELEGTGYLTPYWSLSAGYTYTSTEYLKDSQNDSGTRYSTFTPRHLLRLWSNYDLPWQ-DRRWSVGGGLQAQSDYSVDYRGVSMRQGGYALVNMRLGYKIDEHWTAAVNVNNLFDRTYYQSLSNPNWNNRYGEPRSFNVSLRGAF

General information: TITO was launched using: RESULT: Template: 1XKW.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 : 3814 169968 44.56 269.79 target 2D structure prediction score : 0.44 Monomeric hydrophicity matching model chain A : 0.70 3D Compatibility (PKB) : 44.56 2D Compatibility (Sec. Struct. Predict.) : 0.44 1D Compatibility (Hydrophobicity) : 0.70 QMean score : 0.120

(partial model without unconserved sides chains): PDB file : Tito_1XKW.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1XKW-query.scw PDB file : Tito_Scwrl_1XKW.pdb: