Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -----MLKINDFPHDNNFWKVEWIGGVYNDIDGEPRIRIYLAQIKSNIERQKTLYNSSLEVRNQQNISSVHDVKIGLIQFIPIGSVWKNGILDQSFTAQYEQFNFNSDTPSEVCFQSQYGGIAETGLNNTTEWNNHLNDFHYRI--------VNSEARALGNYINVFYDYNGLSRIYIPSIVILQACYITSPK-------SARHIIFGQINKLL---DPETSGFIDKETFRIHLHRDYKDIEAPMIAN----LATNFNAKMGLRTLRQSLVKESNITSISTPKRLKISFPFSNDFSIKVKGKYIMENNKIYGFFV---TQIIEFSTKFDFTKLVIFRKNSNQKGKEKAENLQNAYEGCNAVR-PSHSESLDDKDESQPLIFTHDQ----VSNQNLPQSI--DFPLCSNISNLEVLKEDKDIQYYQNASYTNLNLRPSNTTSTGPAISSNNGVSELQIEPSLPVDLEY---FFDVLEILNKLGYQ-FKSIAVNNSRDHPRGIINQFNRFIKNLHKW--HLQDDDQTPRPFIVAEMIYKGAFYYLLDIAPRKGAALSAQLIRAYTGEQITPTAF----AILLNDVARTSPKGWSVLDHAKYSQKWQHFRIEHNRNNKPELVAKNIIKKLG--------- 1JMU Chain:B ((1-633)) PGGVPWIAIGDETSVTSPGALRRM----TSKDIDEPLVVVTEHAIANFTKAEMALEFNREFLDKLRVLSV---SPKYSDLLTYVDCYVGVSARQALNNFQKQVPVIT-----PTRQTMYVDSIQAALKALEKWEIDLRVAQTLLPTNVPIGEVSCPMQSVVKLLDDQLPDDSLIRRYPKEAAVALAKRNGGIQWMDVSEGTVMNEAVNAVAASALAPSASAPPLEEKSKLTEQAMDLVTAAEPEIIASLVPVPAPVFAIPPKPADYNVRTLKIDEATWLRM-----IPKTMGTLFQIQVTDN----TGTNWHFNLRGGTRVVNLD---QIAPMRFVLDLGGKSYKETSWDPNGKKVGFIVFQSKIPFELWTAASQIGQATVVNYVQLYAEDSSFTAQSIIATTSLAYNYEPEQLNKTDPEMNYYLLATFIDSAAITPTNMTQPDVWDA-----LLTMSPLSAGEVTVKGAVVSEVVPAELIGSYTPESLNASLPNDAARCMIDRASKIAEAIKIDDDAGPDEYSPNSVPIQGQLAISQLETGYGVRIFNPKGILSKIASRAMQAFIGDPSTIITQAAPVLSDKNNWIALAQGVKTSLRTKSLSAGVKTAVSKLSSSESIQNWTQGFLDKVSTHFPAP

General information: TITO was launched using: RESULT: Template: 1JMU.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain B - contact count / total energy / energy per contact / energy per residue : 2449 93500 38.18 169.38 target 2D structure prediction score : 0.53 Monomeric hydrophicity matching model chain B : 0.63 3D Compatibility (PKB) : 38.18 2D Compatibility (Sec. Struct. Predict.) : 0.53 1D Compatibility (Hydrophobicity) : 0.63 QMean score : 0.128

(partial model without unconserved sides chains): PDB file : Tito_1JMU.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1JMU-query.scw PDB file : Tito_Scwrl_1JMU.pdb: