Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MNYIKAGKWLTVFLTFLGILLFIDLFPKEEHDQKTKSKQKPDYRAAYHFTTPDKWKNDPQKPIYFDGKYHYFYLYNRDYPKGNGTEWRHAVSEDLVHWTDEGVAIPKYT-NPDGDIWTGSVVVDKENTAGFGKNALVAIVTQPSAKDKKQEQYLWYSTDK----GKSFKFYSGNPVMPNP---GTDDFRDPKVIWDDQDNKWVMVMAEG----SKIGFYESDNLKDWHYTSGFFPE--QAGMVECPDLYMMRAS-D---------GTNKWVLGASANGKPWGKPNTYAYWTGSFDGK--EFKADQ-----TEAQWLDYGFDWYGGVTFEDSKSTDPLEKRYALAWMNNWDYANNTPTMKNGFNGTDSVIRELRLKEQDGTYSLVSQPIEALEQLTVSTDEIEDQDVN-G-SKTL-SITGDTYQLDTDLSWSE---------------LKNAGVRLRESEDQKRHIDVGIFAEGG----YAYVNRAATNQPDKSNTY-VESKAPYDVNKRKVHLKILVDKTTIEVFVGDGKTVFSNEVFPKPED---KGITLYSD-GGTASFKNITVKHFDSIHE 3UGF Chain:A ((12-541)) ------------------------------------NAQLSWQRTAFHFQPERSWMSDPDGPIFYKGWYHFFYQYNPDNPVWGNNTWGHTVSRDLIHWLYLPLALAADQWYDMQGVFSGSATCLPD-------GRIMMLYTGVTKE-MVEMLSLAYPADLSDPLLVEWVKYPGNPILSAPPGVSPTEFRDASTGWYVSNGTWRIAIGAKYNTTGIAMVYETKDFKSFKLLEELLHAVPDTGLWECVDLYPVSTTGEKGLETSVNGPKVKHVLKASIDEQ-----QRDYYAIGTYDLGTNKWTPDNPEEDVGIGLRYDWG-KYYASKTFYDPK----KQRRVVWAWTKELDSEVADRE--KGWANVQTIPRTVLLDQKTG-TNVLLWPVEEVESLRLSSKEFSKVKAGAGSVVPLDVGTATQLDIIAEFEIDKGYNCTTSGGAAERGVLGPFGLLVSATENLSEQTPVYFYIAK-NFKTFFCLDESRSSKASDVSKQVKGFTVPV-LDGEKFTMRLLVDHSIVESFAQGGRSCITSRVYPTEAIYGAAKLFLFNNATGASITASLKIWEMNSAFI

General information: TITO was launched using: RESULT: Template: 3UGF.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 : 2469 55672 22.55 121.82 target 2D structure prediction score : 0.61 Monomeric hydrophicity matching model chain A : 0.69 3D Compatibility (PKB) : 22.55 2D Compatibility (Sec. Struct. Predict.) : 0.61 1D Compatibility (Hydrophobicity) : 0.69 QMean score : 0.393

(partial model without unconserved sides chains): PDB file : Tito_3UGF.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3UGF-query.scw PDB file : Tito_Scwrl_3UGF.pdb: