Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKRKIIFFTKAPALNYGKSRLKNFLSAKDRYELSVFLIKDNLKVLEKSGYEFVVYFSGDIENLNFIDYEKIPQRGENLGDRMFNALKAELNSNDQVILLGSDLRGITLKLIESAFSGLNNSDCVIAPAEDGGYGLIGLRKPLDLFSNIVYSQSDVFEKTLQKATALDISIERLDTVRDIDEIIDLIKEELQTKDVEILGSGEYNLNYRFNKNFVCRINLGSQLHLGDEQITYEYNALKTLESSGV--TPKPHYLKKNS---TYIRKGFLVMDYLVGRPLNYD--TDMSIAAYLLSRVHNLEFKDTD-L-IR--VEQPFKAMFEECFEMYSVYKN---SKIYNNSIGKYIEHFFDYVKE------------LGIKDNISNPCIINTELNNRNFIING-NNSYIIDWEKPLIGEAEQDLAHFLVPTTTNWKTDKILSDSEIEKFIYKYEKYRKINRQKLKKYFAFNVLRGITWCSMAKVEYEASERILSNQDTYEKINKFLSED-----YLKMLHKRFYEV 4PDY Chain:A ((54-346)) -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------RYAAKRSSIA-----PAHCRIMVQCLRHAQEQGFTKFARFVTTSSNAPYVRHGDFTYYVTEWVSGQPANFGLPEHVAQTAYTLAQFHEATRSFRTDWK--DDVFGLFQARWRDLRQMWLGADRKREKDAFDQLLLSMRDELHRDAAESLALFEDRDVIAYLE-AERSSGGWCHLDVIPSNCLYTPQHQVVLIDFELARPAPRALDMAHLLRRSLE--RG--NWDGHLAYACFLHFDAVRNIPKSEYRAVEAILRFPYLPWRIAHARYHF-----AADPSQLDALQQYAVQAEKRQAFLASLRQQV---

General information: TITO was launched using: RESULT: Template: 4PDY.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 : 1164 -6564 -5.64 -25.64 target 2D structure prediction score : 0.65 Monomeric hydrophicity matching model chain A : 0.61 3D Compatibility (PKB) : -5.64 2D Compatibility (Sec. Struct. Predict.) : 0.65 1D Compatibility (Hydrophobicity) : 0.61 QMean score : 0.230

(partial model without unconserved sides chains): PDB file : Tito_4PDY.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4pdy-query.scw PDB file : Tito_Scwrl_4PDY.pdb: