Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MFSWMGRQAGGRERAGGADAVQTVTGGLRSLYLRKVLPLEEAYRFHEFHSPALEDADFENKPMILLVGQYSTGKTTFIRYLLEQDFPGMRIGPEPTTDSFIAVMYGETEGSTPGNALVVDPKKPFRKLSRFGNAFLNRFMCSQLPNQVLKSISVIDSPGILSGEKQRISRGYDFCQVLQWFAERVDRIILLFDAHKLDISDEFSEAIKAFRG-QDDKIRVVLNKADQVDTQQLMRVYGALMWSL-GKVINTPEVLRVYIGSFWAQPLQNTDNRRLFEAEAQDLFRDIQSLPQ--KAAVRKLNDLIKRARL--AKVHAYIIS---------YLKKEMPSVFGKENKKRELISRLPEIYIQLQREYQISAGDFPEVKAMQEQLENYDFTKFHSLKPKLIEAVDNMLSNKISPLMNLI-SQEETSTPTQLVQGGAFDGTTEGPFNQGYGEGAKEGADEEEWVVAKDKPVYDELFYTLSPINGKISGVNAKKEMVTSKLPNSVLGKIWKLADCDCDGMLDEEEFALAKHLI-KIKLDGYELPSSLPPHLVPPSHRKSLPKAD 1KK1 Chain:A ((6-410)) --------------------------------------------------------SRQAEVNIGMVGHVDHGKTTLTKALTGVWTDSEELRRGIT----IKIGFADAEIRRCPNCGRYSTSPVCPYCGH--------------ETEFVRRVSFIDAPG-----------HEALMTTMLAGASLMDGAILVIAANEPCPRPQTREHLMALQIIGQKNIIIAQNKIELVDKEKALENYRQIKEFIEGTVAENAPIIPIS-------ALHGANIDVLVKAIEDFIPTPKRDPNKPPKMLVLRSFDVNKPGKLVGGVLDGSIVQGKLKVGDEIEIRPGVPYEEHGRIKYEPITTEIVSLQAGGQFVEEAYPGGLVGVGT--------------KLDPYLTKG-DLMAGNVVGKPGKLPPVWDSLRLEVHLLERVVEQELKVEPIKRKE-----------------------VLLLNVGTARTMGLVTGLGKDEIEVKLQIPVCAE-------------PGDRVAISRQIGSRWRLIGYGIIKE------------------

General information: TITO was launched using: RESULT: Template: 1KK1.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 : 2176 16578 7.62 43.63 target 2D structure prediction score : 0.42 Monomeric hydrophicity matching model chain A : 0.64 3D Compatibility (PKB) : 7.62 2D Compatibility (Sec. Struct. Predict.) : 0.42 1D Compatibility (Hydrophobicity) : 0.64 QMean score : 0.118

(partial model without unconserved sides chains): PDB file : Tito_1KK1.pdb: (Unconserved sides chains are recalculated) : Sequence: align-1kk1-query.scw PDB file : Tito_Scwrl_1KK1.pdb: