Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKFEKLGQSGRARRGRLTLEHGVVETPIFMPVGTYGTVKGMLPRDIEDIQAQIILGNTFHLYLRPGLEVIKQHGGLHDFIKWNKPILTDSGGFQVFSLGAMRKIKEEGVTFRSPIDGSKVFLSPEISMEIQHVLNSDIVMIFDECTPYPATHEEAQKSLQLSLRWAKRCKAHHHDELKNKNALFGIIQGGMYEDLRDESLNGLLEIGFDGYAIGGLSVGEPKEEMIKVLDYLPNKMPHDKPRYLMGVGKPEDIVEAVRRGVDMFDCVMPTRNARNGHYFVTDGLVRIRNSKYRHDQGPLDPHCDCYTCKNFTRAYLFHLEKCGEMLASMLGTIHNLRYYQRLTEGMRDALDKGTFDEFVQDFYARRGLEVPPCPVDE 2ASH Chain:D ((13-375)) MEFEVKKTFGKARLGVMKLHHGAVETPVFMPVGTNASVKLLTPRDLEEAGAEIILSNTFHLMLKPGVEIIKLHRGLHNFMGWKRPILTDSGGFQVFSLPKIR-IDDEGVVFRSPIDGSKVFLNPEISMEVQIALGSDICMVFDHCPV--ADYEEVKEATERTYRWALRSKKAFK---TENQALFGIVQGGIYPDLRRESALQLTSIGFDGYAIGGLSIGEERSLTLEMTEVTVEFLPEDKPRYFMGGGSPELILELVDRGVDMFDSVFPTRIARHGTALTWNGKLNLKASYNKRSLEPVDERCGCYTCKNFTRSYIHHLFDRGEVLGQILLTIHNINFMISLMKEVRRSIESGTFKELKSKVVEVYS----------

General information: TITO was launched using: RESULT: Template: 2ASH.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain D - contact count / total energy / energy per contact / energy per residue : 2136 -210080 -98.35 -581.94 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain D : 0.84 3D Compatibility (PKB) : -98.35 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.84 QMean score : 0.590

(partial model without unconserved sides chains): PDB file : Tito_2ASH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ASH-query.scw PDB file : Tito_Scwrl_2ASH.pdb: