Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software) Input alignment information: Query sequence MRKFNSHSIPIRLNLLFSIVILLFMTIIGRLLYMQVLNKDFYEKKLASASQTKITSSSARGEIYDASGKPLVENTLKQVVSFTRSNKMTATDLKETAKKLLTYVSISSPNLTERQLADYYLADPEIYKKIVEALPSEKRLDSDGNRLSESELYNNAVDSVQTSQLNYTEDEKKEIYLFSQLNAVGNFATGTIATDPLNDSQVAVIASISKEMPGISISTSWDRKVLETSLSSIVGSVSSEKAGLPAEEAEAYLKKGYSLNDRVGTSYLEKQYEETLQGKRSVKEIHLDKYG-NMESVDTIEEGSKGNNIKLTIDLAFQDSVDALLKSYFNSELENGGAKYSEGVYAVALNPKTGAVLSMSGIK----HDLKTGELTPDSLGTVTNVFVPGSVVKAATISSGWENGVLSGNQTLTDQSIVFQGSAPINSWYTQ--AYGSFPITAVQALEYSSNTYMVQTALGLMGQTYQPNMFVGTSNLESAMEKLRSTFGEYGLGTATGIDLPDESTGFVP--KEYSFANYITNAFGQFDNYTPMQLAQYVATIANNGVRVAPRIVEGIYGNNDKGGLGDLIQQLQPTEMNKVNISDSDMSILHQGFYQVAHGTSGLTTGRAFSNGALVSISGKTGTAESYVADGQQATNTNAVAYAPSDNPQIAVAVVF--PHNTNLTNGVGPSIARDIINLYQKYHPMN 3OC2 Chain:A ((35-545)) -----------------------------------------------ARSVRHIAIPAHRGLITDRNGEPLAVSTPVTTLWA---NPKELMTAKERWPQLAAALGQDTKLFADRIEQ---------------------------------------------------NAEREFIYLVRGL------------------TPEQGEGVIALKVPGVYSIEEFRRF-------------------YPAGEVVAHAV-GFTDVDDRGREGIELAFDEWLAGVPGKRQVLKDRRGRVIKDVQVTKNAKPGKTLALSIDLRLQYLAHRELRNALLEN-------GAKAGSLVIMDVKTGEILAMTNQPTYNPNNRRNLQPAAMRNRAMIDVFEPGSTVKPFSMSAALASGRWKPSDIVD----VYPGTLQIGRYTIRDVSRNSRQLDLTGILIKSSNVGISKIAFDI------------------GAESIYSVMQQVGLGQDTGLGFPGERVGNLPNHRKWPKAETATLAYGYGLSVTAIQLAHAYAALANDGKSVPLSMT-----------------RVDRVPDGVQVISPEVASTVQGMLQQVVEAQG--GVFRAQVPG--YHAAGKSGTAR-------KAYRSLFAGFAPATDPRIAMVVVIDEPFGGLVSAPVFSKVMAGALRLMNVPPDNL

General information: TITO was launched using: RESULT: Template: 3OC2.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 : 3017 20257 6.71 41.85 target 2D structure prediction score : 0.59 Monomeric hydrophicity matching model chain A : 0.65 3D Compatibility (PKB) : 6.71 2D Compatibility (Sec. Struct. Predict.) : 0.59 1D Compatibility (Hydrophobicity) : 0.65 QMean score : 0.412

(partial model without unconserved sides chains): PDB file : Tito_3OC2.pdb: (Unconserved sides chains are recalculated) : Sequence: align-3OC2-query.scw PDB file : Tito_Scwrl_3OC2.pdb: