Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKKQLPKISTTSKALAKSLLLAQGVLDQAKKYSTLPFTQTHIILPRIDEKYYSWTHYGIFFPLLPEPHRYLNIMILIGTPGALAFDHDDIITGNPRKTATFFSSTAALEQALLKAYIIPEDTKINKDGTLIELGQEISIQGK-FPHIHINGHYDGFDFDFDIDITSHVSWFIKT---P--------IYDHFSLLAKFKGFLNYQAKHIETQGLCTYEYARAVGPHSITNKLIPDAYKLPLDFFTYQIINLNEATQLLLTKAD-IAGQT-AAYTLHIRHLDQPAEIY--TDVSFDIISHQVDDFVSPS-GQKMRLPKYFSWIARNDAKQIILNIQAEIDCPFR-YG---HGRGYASSYIFTGHYFGNEVQGRGYIEYVDIENPQAFEDE 2ICH Chain:B ((102-329)) -----------------------------------------------------------------------------------------------------------------------------TGNTDVKLDDW-IFVRETDGRYRTRIEAEDFTLTFILTPSQPLMLQGENGFSRKGPGAPQASYYYSEPHLQVSGIINRQGEDIPVTGTAWLDREWSSEYL-----------DPNAAGWDWISANLDDGSALMAFQIRGKDDSKIWAYAALR-DASGHTRLFTPDQVSFHPIRTW----RSARTQ--AVYPV--ATRVLTGE--TEWQITPLMDDQELDSRASAGAVYWEGAVTFT--RDGQ-PAGRGYMELTGY---------

General information: TITO was launched using: RESULT: Template: 2ICH.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 : 897 -16988 -18.94 -82.07 target 2D structure prediction score : 0.56 Monomeric hydrophicity matching model chain B : 0.58 3D Compatibility (PKB) : -18.94 2D Compatibility (Sec. Struct. Predict.) : 0.56 1D Compatibility (Hydrophobicity) : 0.58 QMean score : 0.275

(partial model without unconserved sides chains): PDB file : Tito_2ICH.pdb: (Unconserved sides chains are recalculated) : Sequence: align-2ICH-query.scw PDB file : Tito_Scwrl_2ICH.pdb: