Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MKEEIIERFTTYVKVDTQSDESVDTCPSTPGQLTLGNMLVDELKSIGMQDAAIDENGYVMATLPSNTEKDVPTIGFLAHVDTATDFTGKN-VNPQIIESYDGKDIVLNEQLQVTLSPDQFP---E--LS-GY-KGHTLITTDGTTLLGADNKAGIAEIMTAMDYLIKHPEIKHGTIRVAFTPDEEIGRGPHKFDVKRFNASFAYTVDGGPLGELEYESFNAAAAKITIKGNNVHPGTAKGKMINSAKIAMKLNSLLPADEAPEYTEGYEGFYHLLSIQGDVEETKLHYIIRDFDKENFQNRKETMKRAVEELQNEYGQDRILLDMNDQY-YNMREKIEPVIEIVNIAKQAMENLGIEPKISPIRGGTDGSQLSYMGLPTPNIFTGGENFHGKFEYISVDNMVKAVNVIVEIAKQFEAQA 3IFE Chain:A ((26-434)) -KEELIERFTRYVKIDTQSNEDSHTVPTTPGQIEFGKLLVEELKEVGLTEVTMDDNGYVMATLPANTDKDVPVIGFLAHLDTATDFT-GKNVKPQIHENFDGNAITLNEELNIVLTPEQFPELPSYKGHTIITTDGTTLLG-------ADDKAGLTEIMVAMNYLIHNPQIKHGKIRVAFTPDEEIGRGPAHFDVEAFGASFAYMMDGGPLGGLEYESFNAAGAKLTFNGTNTHPGTAKNKMRNATKLAMEFNGHLPVEEAPEYTEGYEGFYHLLSLNGDVEQSKAYYIIRDFDRKNFEARKNTIENIVKQMQEKYGQDAVVLEMNDQYYNMLEKI-EPVREIVDIAYEAMKSLNIEPNIHPIRGGTDGSQLSYMGLPTPNIFTGGENYHGKFEYVSVDVMEKAVQVIIEIARRFEEQA

General information: TITO was launched using: RESULT: Template: 3IFE.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 : 2271 58218 25.64 145.55 target 2D structure prediction score : 0.67 Monomeric hydrophicity matching model chain A : 0.90 3D Compatibility (PKB) : 25.64 2D Compatibility (Sec. Struct. Predict.) : 0.67 1D Compatibility (Hydrophobicity) : 0.90 QMean score : 0.634

(partial model without unconserved sides chains): PDB file : Tito_3IFE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3IFE-query.scw PDB file : Tito_Scwrl_3IFE.pdb: