Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MPLRKMKIPFLLLFFLWEAESHAASRPNIILVMADDLGIGDPGCYGNKTIRTPNIDRLASGGVKLTQHLAASPLCTPSRAAFMTGRYPVRSGMASWSRTGVFLFTASSGGLPTDEITFAKLLKDQGYSTALIGKWHLGMSCHSKTDFCHHPLHHGFNYFYGISLTNLRDCKPGEGSVFTTGFKRLVFLPLQIVGVTLLTLAALNCLGLLHVPLGVFFSLLFLAALILTLFLGFLHYFRPLNCFMMRNYEIIQQPMSYDNLTQRLTVEAAQFIQRNTETPFLLVLSYLHVHTALFSSKDF---------------------------------------------------AGKSQHGVYGDAVEEMDWSVGQILNLLDELRLANDTLIYFTSDQGAHVEEVSSKGEIHGGSNGIYKGGKANNWEGGIRVPGILRWPRVIQAGQKIDEPT--SNMDIFPTVAKLAGAPLPEDRIIDGRDLMPLLEGKSQRSDHEFLFHYCNA-------YLNAVRWHPQNSTSIWKAFFFTPNFNPVGSNGCFATHVCFCFGSYVTHHDPPLLFDISKDPRERNPLTPAS--EPRFYEILKVMQEAADRHTQTLPEVPDQFSWNNFLWKPWLQLCCPSTGLSCQCDREKQDKRLSR 5G2U Chain:A ((22-450)) ------------------------EKPNFLIIQCDHLTQRVVGAYGQTQGCTLPIDEVASRGVIFSNAYVGCPLSQPSRAALWSGMMPHQTNVRSNSSEP------VNTRLPENVPTLGSLFSESGYEAVHFGKTHDMGS------------LRGFKHKEPVAKP-F----T-----------DP-------------------------------------------EFPV----------------------NNDSFLDVGTCEDAVAYLSNP--EPFICIADFQNPHNICGFIGENAGVHTDRPISGPLPELPDNFDVEDWSNIPTPVQYICCSHRRMTQAAHWNEENYRHYIAAFQHYTKMVSKQVDSVLKALYSTPAGRNTIVVIMADHGDGMASHRMV------------TKHISFYDEMTNVPFIFAGPGIKQQKKPVDHLLTQPTLDLLPTLCDLAGIAVPA--EKAGISLAPTLRGEKQKKSHPYVVSEWHSEYEYVTTPGRMV------RGPRYKYTHYL-------------------------EGNGEELYDMKKDPGERKNLAKDPKYSKILAEHRALLDDYIT------------------------------------------------

General information: TITO was launched using: RESULT: Template: 5G2U.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 : 2286 -33390 -14.61 -91.48 target 2D structure prediction score : 0.64 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -14.61 2D Compatibility (Sec. Struct. Predict.) : 0.64 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.461

(partial model without unconserved sides chains): PDB file : Tito_5G2U.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5G2U-query.scw PDB file : Tito_Scwrl_5G2U.pdb: