Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------MSASSPAAWRGTLAGLIAFHIFIIIASNYLVQLPITLFGWHTTWGAFSFPFIFLATDLTVRLLGKGPARLVIARVMIPALIASYVVSVLFQEAAFRGFSALLEFNTFVARISLASFLAYVLGQILDIQVFDRLRRSRHWWTAPVASTILGNLLDTFTFFFVAFWRSDNPFMAQHWVEIATVDYGVKLSIS-----LLLFVPLYGMLLNGILKMLPGRPQSNA--------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- 4ASI Chain:C ((1618-2375)) DLLQSKRFQAQSLGTTYIYDIPEMFRQSLIKLWESMSTQAFLPSPPLPSDMLTYTELVLDDQGQLVHMNRLPGGNEIGMVAWKMTFKSPEYPEGRDIIVIGNDITYRIGSFGPQEDLLFLRASELARAEGIPRIYVSANSGARIGLAEEIRHMFHVAWVDPEDPYKGYRYLYLTPQDYKRVSALNSVHCEHVEDEGESRYKITDIIGKEEGIGPENLRGSGMIAGESSLAYNEIITISLVTCRAIGIGAYLVRLGQRTIQVENSHLILTGAGALNKVLGREVYTSNNQLGGIQIMHNNGVTHCTVCDDFEGVFTVLHWLSYMPKSVHSSVPLLNSKDPIDRIIEFVPTKTPYDPRWMLAGRPHPTQKGQWLS---GFFDYGSFSEIMQPWA---QTVVVG-RARLGGIPVGVVAVETRTVELSIPADPANLDSEAKIIQQAG-----QVWFPDSAFKTYQAIKDFNRE-----------------------------------------------GLPLMVFANWRGFSGGMKDMYDQVLKFGAYIVDGLRECCQPVLVYIPPQAELRGGSWVVIDSSINPRHMEMYADRESRGSVLEPEGTVEIKFRRKDLVKTMRRVDPVYIHLAERLGTPELSTAERKELENKLKEREEFLIPIYHQVAVQFADLHDTPGRMQEKGVISDILDWKTSRTFFYWRLRRLLLEDLVKKKIHNANPELTDGQIQAMLRRWFVEVEGTVKAYVWDNNKDLAEWLEKQLTGVHSVIEENIKCISRDYVLKQIRSLVQANPEVAMDSIIHMTQHISPTQRAEVIRIL

General information: TITO was launched using: RESULT: Template: 4ASI.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output 3D Compatibility (PKB) -155434 for 1102 contacts (-141.0/contact) + 2D Compatibility (PS) -16935 + (NN) -5031 + (LL) 5972 1D Compatibility (HY) -8000 + (ID) 1300 Total energy: -180728.0 ( -164.00 by residue) QMean score : 0.109

(partial model without unconserved sides chains): PDB file : Tito_4ASI.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4ASI-query.scw PDB file : Tito_Scwrl_4ASI.pdb: