Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILQLDNVSLKRNGKWILKDIHWKVEEKENWVLYGLNGAGKTALLNMLCSYYFPTSGEMQVLGHEF--GKTELGEKLRRKIGLVSAALQQKLYPADSAFEIALSGAYASIGLYETPSKETREKAIGLLEDLGAIEYADRRYETLSQGEKQRALIARALMADPELLILDEPVTGLDFIAREKLLDTITYIANKENAPSILYVTHHAEEILPVFDKALLLKQGEVFGSGEIKEMLTDQILSAFFDTPIHVLWNQDRPFLTRAEPITNA 4YMT Chain:J ((16-224)) ----------------VLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKINNGKVNIN-KVRQKVGMVFQHFN--LFPHLTAIE---NITLAPVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANE--GMTMVVVTHEMGFAREVGDRVIFMDDGVIVEEGTPEEIF---------------------------------

General information: TITO was launched using: RESULT: Template: 4YMT.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain J - contact count / total energy / energy per contact / energy per residue : 1026 -130903 -127.59 -632.38 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain J : 0.74 3D Compatibility (PKB) : -127.59 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.74 QMean score : 0.512

(partial model without unconserved sides chains): PDB file : Tito_4YMT.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4YMT-query.scw PDB file : Tito_Scwrl_4YMT.pdb: