Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNKRGLYSKLGISVVGISLLMGVPALIHANELNYGQLSISPIFQGGSYQLNNKSIDISPLLLDKLSGDSQTVVMKFKADKPNSLQALFGLSNSKAGFKNNYFSIFMRDSGEIGVEIRDAQKGINYLFSRPASLWGKHKGQAVENTLVFVSDSKDKTYTMYVNGIEVFSETVDTFLPISNINGIDKATLGAVNREGKEHYLAKGSIDEISLFNKAISDQEVSTIPLSNPFQLIFQSGDSTQANYFRIPTLYTLSSGRVLSSIDARY-GGTHDSKSKINIATSYSDDNGKTWSEPIFAMKFNDYEEQLVYWPRDNKLKNSQISGSASFIDSSIVEDKKSGKTILLADVMPAGIGNNNANKADSGFKEINGHYYLKLKKNGDNDFRYTVRENGVVYDETTNKPTNYTINDKYEVLEGGKSLTVEQYSVDFDSGSLRERHNGKQVPMNVFYKDSLFKVTPTNYIAMTTSQNRGESWEQ-----FKLLP---PFLGEKHNGTYLCPGQGLALKSSN---RLIFATYTSGEL-----TYLISDDSGQTW---KKSSASIPFENAT--------------AEAQMVELRDGVIRTFFRTTTGKIAYMTSRDSGETWSEVSYIDGIQQTSYGTQVSAIKYSQLIDGKEAVILSTPNSRSGRKGGQLVVGLVNKEDD--------SIDWKYHYDIDLPSYGYAYSAITELPNHHIGVLFEKYDSWSRNELHLSNVVQYIDLEINDLTK 5TSP Chain:A ((13-430)) ---------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------LFHPGFLNSSNY-RIPALFKTKEGTLIASIDARRQGGADAPNNDIDTAVRRSEDGGKTWDEGQIIMDYPD---------------------KSSVIDTTLIQDDETGRIFLLVTHFPSKYGFWNAGLG-SGFKNIDGKEYLCLYDSSGKEF--TVREN-VVYDKDGNK-TEYTTNALGDL---------------FRNGTKIDNINSSTAPL---------KAKGTSYINLVYSDDDGKTWSEPQNINFQVKKDWMKFLG-------IAPGRGIQIKNGEHKGRIVVPVYYTNEKGKQSSAVIYSDDSGKNWTIGESPNDNRKLENGKIINSKTLSDDAPQLTECQVVEMPNGQLKLFMRNLSGYLNIATSFDGGATWDETVEKDTNVLEPY-CQLSVINYSQKIDGKDAVIFSNPNARS-RSNGTVRIGLINQVGTYENGEPKYEFDWKYNKLVK-PGY-YAYSCLTELSNGNIGLLYE----------------------------

General information: TITO was launched using: RESULT: Template: 5TSP.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 : 2287 118065 51.62 314.00 target 2D structure prediction score : 0.68 Monomeric hydrophicity matching model chain A : 0.67 3D Compatibility (PKB) : 51.62 2D Compatibility (Sec. Struct. Predict.) : 0.68 1D Compatibility (Hydrophobicity) : 0.67 QMean score : 0.475

(partial model without unconserved sides chains): PDB file : Tito_5TSP.pdb: (Unconserved sides chains are recalculated) : Sequence: align-5TSP-query.scw PDB file : Tito_Scwrl_5TSP.pdb: