Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence --------------------------------------------------------------MAVRALKLLTTL--LAVVAAASQAEVESEAGWGMVTP--DLLFAEGTAAYARG------DWPGVVLSMERALRS------RAALRALR---LRCRTQCAADFPWELDPDWSPSPAQASGAAALRDLSFFGGLLRRAACLRRCLGPPAAHSLSEEME--------------LEFRKRSPYNYLQVAYFKINKLEKAV-------------AAAHTFFVGNPEHMEMQQNLDYYQTMSGV------------------KEADFKDLE---TQPHMQEF--RLGVRLYSEEQPQEAVPHLEAAL-----QEYFVAY----------------------EECRALCEGP---YDYDGYNYLEYNADLF-----QAITDHYIQVLNCK--QNCVTELASHPSR----------EKPFEDFLPSHYNYLQFAYYNIGNYTQAV---------------------ECAKTYLLFFPNDEVMNQNLAYYAAMLGE--------EHTRSIGPRESAKEY--RQRSLLEK----------------------ELLFFAYDVFGIPFVDPD---------SWTPEEVIPKR--LQEKQKSERETAVRISQEIGNLM-----KEIETLVEEKTKESLDV---SRLTREGGPLLYEGISLTMNS----KLLNGSQRVVMDGVISD---------HEC---------------QELQRLTN-VAATSGDGYRGQTSPHTPNEKFYGVTVFKALKLGQEGKVPLQSAHLYYNVTEKVRRIMESYFRLDTPLYFSYSHLVCRTAIEEVQAERKDDSHPVHVDNCILNAETL----------VCVKEPP----AYTFRDYSAILYLNGDFDGGNFYFTELDAKTVTAEVQPQCGRAVGFSSGTENPHGVKAVTRGQRCAIALWFTLDPRHSERDRVQADDLVKMLFSPEEMDLSQEQPLDAQQGPPEPAQESLSGSESKPKDEL---- 3W3W Chain:A ((3-1077)) ALPEEVNRTLLQIVQAFASDNQIRSVAEKALSEEWITENNIEYLLTFLAEQAAFSQDTTVAALSAVLFRKLALKAPITHIRKEVLAQIRSSLLKGFLSERADSIRHKLSDAIAECVQDDLPAWPELLQALIESLKSGNPNFRESSFRILTTVPYLITAVDINSILPIFQSGFTDASDNVKIAAVTAFVGYFKQLPKSEWSKLGILLPSLLNSLPRFLDDGKDDALASVFESLIELVELAPKLFKDMFDQIIQFTDMVIKNKDLEPPARTTALELLTVFSENAPQM-CKSNQNYGQTLVMVTLIMMTEVSIDDDDAAEWIESDDTDDEEEVTYDHARQALDRVALKLGGEYLAAPLFQYLQQMITSTEWRERFAAMMALSSAAEGCADVLIGEIPKILDMVIPLINDPHPRVQYGCCNVLGQISTDFSPFIQRTAHDRILPALISKLTSECTSRVQTHAAAALVNFSEFASKDILEPYLDSLLTNLLVLLQSNKLYVQEQALTTIAFIAEAAKNKFIKYYDTLMPLLLNVLKVNSVLKGKCMECATLIGFAVGKEKFHEHSQELISILVALQNSDALRSYLEQSWSRICRILGDDFVPLLPIVIPPLLITAKATQDVGLIEEEEAANFQQYPDWDVVQVQGKHIAIHTSVLDDKVSAMELLQSYATLLRGQFAVYVKEVMEEIALPSLDFYLHDGVRAAGATLIPILLSCLLAAEELVLLWHKASSKLIGGLMSEPMPEITQVYHNSLVNGIKVMGDNCLSEDQLAAFTKGVSANLTDTYERMQDRDEYNEDFTDEDLLDEINKSIAAVLKTTNGH-YLKNLENIWPMINTFLL--EPILVIFALVVIGDLIQYEQTASMKNAFIPKVTECLISPDARIRQAASYIIGVCAQYAPSTYADVCIPTLDTLVQIVDGSKLEENRSSTENASAAIAKILYAYNSNIP-DTYTANWFKTLPTITDKEAASFNYQFLSQVCAQSNISAVVDSVIQALNERSLTVISSVKKLLGFLPSSDAMAIFNRYPADIMEKVHKWF

General information: TITO was launched using: RESULT: Template: 3W3W.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 : 3535 65646 18.57 89.80 target 2D structure prediction score : 0.48 Monomeric hydrophicity matching model chain A : 0.63 3D Compatibility (PKB) : 18.57 2D Compatibility (Sec. Struct. Predict.) : 0.48 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.263

(partial model without unconserved sides chains): PDB file : Tito_3W3W.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3W3W-query.scw PDB file : Tito_Scwrl_3W3W.pdb: