Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MTLDKGKVVYQIYPKSYKDTTENGIGDFRGIIEKIPYLAKLGVDMVWLNPFYPSPQRDNGYDISDYMAVDPLFGDMADFEEMVCVGKEHKIDFMLDMVLNHCSTEHEWFQKALA-GDKYYQDFFFIQD-----QPTDWQSKFGGSAWAPFGDTGKYYLHLFDETQADLNWRNPNVRKELFKVVNFWRDKGVKGFRFDVINLIGKDEVSVDCPENEGKPAYTDKPIVHNYLRMMNQATFGSDDSFMTVGEMSSTTMENCVLYSSPDRQELSMTFNFHHLKVDYKDG-QKWTLAPFDFEELKSLYHSWGKEMSDKDGWSALFWNNHDQPRALNRFVDIQNFRKEGATMLAASIHLSRGTPYIYMGEEIGMIDPDYDSMADYVDVESLNAYQMLLEEGKSQQEAFQIIQAKSRDNSRIPMQWDASENAGFSTGTPWLKAGKSYKYINVENEIQ--GPIFTFYQDLIRLRKEMPIISEGSYKPAFEDSKQVYAFERQFEDQKLLVLNNFYAKEVEIDLPAVYQNGQILISNYEDAEVSEKILLKPYQTLAIYVN 4AIE Chain:A ((4-540)) ASWWKNAVVYQVYPKSFQDSNGDGIGDLQGIISRLDYLEKLGIDAIWLSPVYQSPGVDNGYDISDYEAIDPQYGTMADMDELISKAKEHHIKIVMDLVVNHTSDQHKWFVEAKKGKDNQYRDYYIWRDPVDEHEPNDLKSAFSGSAWKYDERSGQYYLHFFADQQPDLNWQNTELRQKIYNMMNFWLDKGIGGFRMDVIELIGKDPDK---------NIRENGPMLHPYLQEMNKATFG-KRDVMTVGETWNATPKIAEEYSDPDRHELSMVFQFENQSLDQQPGKEKWDLKPLDLGELKKVLVKWQTKIDFDHAWNSLFWENHDIPRVISRWGNDQEYRVQCAKMFAIILHMMHGTPYIFNGEEIGMTNCPVKNIDEVEDIESINMYNERLAEGYDEEELIHAINVKGRDNARRPMQWNDEKNAGFSEVDPWLSVNPNYKDINVENALADPNSIFYTYQKLIKLRHENPIVVDGDFSLVSNTQDAVLAYYRILNDKKWLVVANLSNEEQNFVSND---QIETILSNYPERNNVQNITLKPYEAFISKVI

General information: TITO was launched using: RESULT: Template: 4AIE.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 : 3023 119845 39.64 226.98 target 2D structure prediction score : 0.63 Monomeric hydrophicity matching model chain A : 0.82 3D Compatibility (PKB) : 39.64 2D Compatibility (Sec. Struct. Predict.) : 0.63 1D Compatibility (Hydrophobicity) : 0.82 QMean score : 0.524

(partial model without unconserved sides chains): PDB file : Tito_4AIE.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4AIE-query.scw PDB file : Tito_Scwrl_4AIE.pdb: