Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MSKVHQSACPLNCWDSCGFLVTVDDGKVTKVDGDPNHPITEGKICGRGRMLETKTNSPDRLRYPMKKQN--GEFVRISWEQALDEIADKLREIKETSETTAVLHSHDYA--NNGLLKALDQRFFN-GYGGVTEIV--GSICWGSGIEAQSWDFGRSYG----HGPLDIYNSKHVVVWGRNVSRTNMHLYHHLQQVK--KKGATITVIDPIFNPTAKLADRYISVKPGMDGWLAAAVLKVLIEMGRTDETFISEHSV---------GFDDVKELLKTVSLEEFIVKTETSMEELEYLAGLYAD-GPVSTFMGLGMQRYKNGGGTIRWIDALVAASGNVGIKGGGANFGNVQ-I-GESFAKTKL---TLPELK--------------TTSRSFSM----MTQAEEVL--T-AADPAIEMIIVTCGNPLTQVPNTNKVRQAFEKV-PMTVAIDSIMTD-TAELCDYVLPTATVFEEEDIYYSSMYHHYVQYGKKLVEPQGEAKSDSWIWSELAKRLGFGE-LFE-YSTQEFLEMGLSSL-----EAEDVTLERLKEK-GH-LPLPVKQ-----V---PWD--------D---YQFLTPSGKFEFTSSLAEQKGFSGSLQLNVPEESVFHNEELAGKYPYTLLSIHPQRSNHSQ----HVPFIEKL-QHVQVDISPDIAAGQDLQDGDEVVIFNDRGSMKGKVKVMKQAHAKTINIDEGMWAAFGGSVNALTNDTNSDN-GMGSTLFDCLVGLKKA 2NAP Chain:A ((6-723)) -EKWVKGVCR-YCGTGCGVLVGVKDGKAVAIQGNPNN-HNAGLLCLKGSLLIPVLNSKERVTQPLVRRHKGGKLEPVSWDEALDLMASRFRSSIDMYGPNSVAWYGSGQCLTEESY--VANKIFKGGFG-TNNVDGNPRLCMASAVGGYVTSFG--KDEPMGTYAD-IDQATCFFIIGSNTSEAHPVLFRRIARRKQVEPGVKIIVADPRRTNTSRIADMHVAFRPGTDLAFMHSMAWVIINEELDNPRFWQRYVNFMDAEGKPSDFEGYKAFLENYRPEKVAEICRVPVEQIYGAARAFAESAATMSLWCMGINQRVQGVFANNLIHNLHLITGQICRPGATSFSLTGQPNACGGVRDGGALSHLLPAGRAIPNAKHRAEMEKLWGLPEGRIAPEPGYHTVALFEALGRGD--VKCMIICETNPAHTLPNLNKVHKAMSHPESFIVCIEAFPDAVTLEYADLVLPPAFWCERDGVYGCGE--RRYSLTEKAVDPPGQCRPTVNTLVEFARRAGVDPQLVNFRNAEDVWNEWRMVSKGTTYDFWGMTRERLRKESGLIWPCPSEDHPGTSLRYVRGQDPCVPADHPDRFFFYGKPDGRAVIWMRPAKGA--------------AEEP---DAEYPLYLTSMRVIDHWHTATMTGKVPELQKANPIAFVEINEEDAARTGIKHGDSVIVETRRDAMELPARVSDVCRPGLIAVPFFDPK---KLVNKLFLD-ATDPVSREPEYKICAARVRKA

General information: TITO was launched using: RESULT: Template: 2NAP.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 : 4127 33426 8.10 52.80 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.71 3D Compatibility (PKB) : 8.10 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.71 QMean score : 0.482

(partial model without unconserved sides chains): PDB file : Tito_2NAP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2NAP-query.scw PDB file : Tito_Scwrl_2NAP.pdb: