Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence ---MCINF------LVCASLSMFRTS-VSGARVPIGAW----PDRGG---EVRDAVLSVFRRNEYMREIDTGARVA-SPGTGCDGLVGTCPVDKPVDSVAVGVLARFLAQLTLVRKEALPALPAEWSRNERDSRAYLDTLVRHAKRRMLDP--------NWTAIGGLFAVLGVPGDRLVRFAEQVPAMSRRPYGLLLTNLARDNVTILEGPKLAEAGLDWTS-----ASYGDPLHGLAGHVVRMRYPQDQVNEVVQAWACEMRRIRPPA-----VSGLDRDLPYYLDFERIHAA----YDDVIRAARSLGDSIENL-------ALLAAASDIGTALKRAA-------------GLLGMSEVPPEKEIADALFRWQAARLV------RAAERVPDSLFRWRCDDRVPERDDFPSDLVRRALAVEGVAPADRVFRGTAHLNTVVQLENYPDPVVVRRETAAAPRREQGLLPEHAVLQVIERSGVQVRAPRILALGYDDRRRHVAIHTYEGPGGRSPQHPVDGLLPAEADELVDELAALAEVDHSSLPSNEPEGGFYRWLAERLADFVAALPDAT-LRAADQRGLPDGDLLRQILGRYKVSDRAPVLLHGD-----LNPWNLVRAGRQ-GGLTIIDWEMGMIGDPL---YDLVRHLHLTPTRTEMRVRMFDRWS------KKLPAECVVGWEEDWRVYRYIEQIRSAYVDLDRMTTGAALSTPNVRRAVDAYEMTLSAATGSLGLRRRVVPKVPASLKVS-- 1KWG Chain:A ((1-644)) MLGVCYYPEHWPKERWKEDARRMREAGLSHVRIGEFAWALLEPEPGRLEWGWLDEAIATLA--------AEGLKVVLGTPTA------TPP------KWLVDRYPEILPVDREGRRRRFGGRRHYCFSSPVYREEARRIVTLLAERYGGLEAVAGFQTDNEYGCHDTVRCYC--PRCQEAFRGWLEARYGT-----IEALNEAWGTAFWSQRYR----SFAEVELPHLTVAEPNPSHLLDYYR--FASDQVRAFNRLQVEILRAHAPGKFVTHNFMGFFTDLDAFALAQDLDFASWDSYPLGFTDLMPLPPEEKLRYARTGHPDVAAFHHDLYRGVGRGRFWVMEQQPGPVNWAPHNPSPAPGMVRLWTWEALAHGAEVVSYFRWRQAPFAQEQMHAGLHRPDSAPDQGFFEAKRVAEELAALALPPVAQA--------PVALVFDYEAAWIYEVQPQG--AEWSYLGLVYLFYSALRRLGLDVDVVPP-----GASLRGYAFAVV---------PSLPIVREEALEAFRE--------AEGPVLFGPRSGSKTETFQIPKELPPGPLQALLPLKVVRVESLP---------------PGLLEVAEGALGRFPLGLWREWVEAPLKPLLTFQD------GKGALYREGRYLYLAAWPSPELAGRLLSALAAEAGLKVLSLPEGLRLRRRGTWVFAFNYGP--------------------------EAVEAPASEGARFLLGSRRVGPY---DLAVWEE

General information: TITO was launched using: RESULT: Template: 1KWG.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 : 3145 50027 15.91 89.33 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.60 3D Compatibility (PKB) : 15.91 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.60 QMean score : 0.162

(partial model without unconserved sides chains): PDB file : Tito_1KWG.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1kwg-query.scw PDB file : Tito_Scwrl_1KWG.pdb: