Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MILLQANQIARHFGAEVLFENIHLEISTGARVALVGRNGAGKSTLLKIIAGIEAPDEGKIAKNKTA--TLGYLAQDTGL-DSNETVWNEMLKAFEQVRQMEERMRELEIFISEGTPDTPAYSSYLKEYDRLQHDFSDRNGYGYENEIRSVLHGFKFDSSFYDQKIDTLSGGQRTRLALARMLLQHPDILILDEPTNHLDIETLSWLENYLQSY---TGALLIVSHDRYFLDKVVNEVYELSRRKMRHYKGNYSKYLDLKAEQLASEWKAYEKQQTEIHKLEDFVARNLVRASTTKRAQSRRKTLE-KMDRLDRPQGDEKQANFLFSIEKPSGNVVLQIEDAAIGYDNVTLSEPINLDIRRQEAIALVGPNGIGKSTLLKSIIHQIPFIRGKETLGTNVTIGYYDQGQADLHTNKTILAELWDEHP--TTPEKEIRSALGAFLFSGEDVEKPIPLLSGGEKARVALAKLAMNKENFLILDEPTNHLDIDNKEVLENALIDY----DGTLLFVSHDRYFINRIATKVVELSEN-GSKVYLGDYDYYLEKKQEEEEIAELLAQDEPESAPAPTNKSDYYQSKEQQKLIRSLQRKITQVEEEMARIDEWIDQLEQEMVAPENLEDHVKLNELNQDLEAARQDQETKLTEWEELSLELEEYEN 4CRM Chain:P ((99-561)) ------------------------TPRPGQVLGLVGTNGIGKSTALKILAGKQKPNLGRFDDPPEWQEIIKYFRGSELQNYFTKMLEDDIKAIIKP-Q-YVDNIPRA-------------IKGPVQKVGEL---L-KLRMEKSPEDVKRYIKILQLEN-VLKRDIEKLSGGELQRFAIGMSCVQEADVYMFDEPSSYLDVKQRLNAAQIIRSLLAPTKYVICVEHDLSVLDYLSDFVCIIYGVPSVYGVVTLPASVR--E-GI-----------------NIFLDGHI----PAENLRFRTEALQFRIAD-ATED---------LQ--NDSASRAFSYPSLKKTQ-GDFVLNVEEGEFSDSEILVMMGENGTGKTTLIKLLAGALKPDEGQDIPK--LNVSMKPQKIA-PKFPGTVRQLFFKKIRGQFLNPQFQTDVVKPLRIDD-IIDQEVQHLSGGELQRVAIVLALGIPADIYLIDEPSAYLDSEQRIICSKVIRRFILHNKKTAFIVEHDFIMATYLADKVIVFEGIPSKNAHARAPESLLTGC--------------------------------------------------------------------------------------------------------------

General information: TITO was launched using: RESULT: Template: 4CRM.pdb Alignment : align.pir Tito was launched with SMD and SCWRL Tito text output Monomeric PKB - chain P - contact count / total energy / energy per contact / energy per residue : 2278 48440 21.26 107.88 target 2D structure prediction score : 0.62 Monomeric hydrophicity matching model chain P : 0.68 3D Compatibility (PKB) : 21.26 2D Compatibility (Sec. Struct. Predict.) : 0.62 1D Compatibility (Hydrophobicity) : 0.68 QMean score : 0.373

(partial model without unconserved sides chains): PDB file : Tito_4CRM.pdb: (Unconserved sides chains are recalculated) : Sequence: align-4CRM-query.scw PDB file : Tito_Scwrl_4CRM.pdb: