Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDYKETLLMPKTDFPMRGGLPNKEPQIQEKWDAEDQYHKALEKNKGNETFILHDGPPYANGNLHMGHALNKILKDFIVRYKTMQGFYAPYVPGWDTHGLPIEQALTKKGVDRKKMSTAEFREKCKEFALEQIELQKKDFRRLGVRGDFNDPYITLKPEYEAAQIRIFGEMADKGLIYKGKKPVYWSPSSESSLA-----EAEIEYHD-----KRS-------ASIYVAFDVKDDKG--------------------------VVDADAKFIIWTTTPWTIPSNVAITVHPELKYGQYNVNGEKYIIAEALSDAVAEALDWDKASIKLEKEYTGKELEYVV----AQHPFLDRESLVINGDHVTTDAGTGCVHTAPGHGEDDYIVGQKYELPVISPIDDKGVFTEEGGQFEGMFYDKANKAVTDLLTEKGALLKLDFITHSYPHDWRTKKPVIFRATPQWFASISKVRQDILDAIENTNFKVNWGKTRIYNMVRDRGEWVISRQRVWGVPLPVFYAENGEIIMTKETVNHV--ADLFAEHGSNIWFEREAKDLLPEGFT----HP-------GSPNGTFTKETDIMDVWFDSG-------SSHRGVLETRPELS---FPADMYLEGSDQ------YRGWFNSSITTSVATRGVSPYKFLLSHGFVM--------DGEG-------------------------KKM--------------------SKSLGNVIVPDQVVKQKGADIARLWVSSTDYLADVRISDEILKQTS-----DVYRKIRNTLRFMLGNINDFNPDTDSIPESELLE-VDRYLLNRLREFTASTINNYENFDYLNIYQEVQNFINVELSNFYLDYGKDILYIEQRDSHIRRSMQTVLYQILVDMTKLLAPILVHTAEEVWSHTPHVKEESVHLADMPKVVEVDQALLDKWRTFMNLRDDVNRALETARNEKVIGKSLEAKVTIASNDKFNASEFLTSFDALHQLFIVSQVKVVDKLDDQATAYEHGDIVIEHADGEKCERCWNYSEDLGAVDELTHLCPRCQQVVKSLV |
| 1H3N Chain:A ((42-791)) | --------------------------------------------------------PYPSGDLHMGHLKNYTMGDVLARFRRMQGYEVLHPMGWDAFGLPAENAALKFGVHPKDWTYANIRQ------------AKESLRLMGILYDWDREVTTCEPEYYRWNQWIFLKMWEKGLAYRAKGLVNWCPKCQTVLANEQVVEGRCWRHEDTPVEKRELEQWYLRITAYAERLLKDLEGLNWPEKVKAMQRAWIGRSEGAEILFPVEGKEVRIPVFTTRPDTLFGATFLVLAPEHPLTLELAAPEK-------REEVLAYVEAAKRKTEIERQAEGREKTGVFLGAYALNPATGERIPIWTADYVLFGYGTGAIMAVPAHDQRDYEFARKFGLPIKKVIERPG--------------EPLPEPLERAYEEPGIMV------NSGPFD---------------GTESEEGKRKVIAWLEEKGL----GKGRVTYRLRD---WLISRQRYWGTPIPMVHCEACGVVPVPEEELPVLLPDL-----------KDVEDIRPKGKSPLEAHPEFYETTCPKCGGPAKRDTDTMDTFFDSSWYYLRYTDPHNDRLPFDPEKANAWMPVDQYIGGVEHAVLHLLYSRFFTKFLHDLGMVKVEEPFQGLFTQGMVLAWTDFGPVEVEGSVVRLPEPTRIRLEIPESALSLEDVRKMGAELRPHEDGTLHLWKPAVMSKSKGNGVMVGPFVKEQGADIARITILFAAPPENEMVWTEEGVQGAWRFLNRIYRRVAEDREALL--------ETSGVFQAEALEGKDRELYGKLHETLKKVTEDLEALRFNTAIAALMEFLNA-------------LYEYRKDRPVTPVYRTAIRYYL----QMLFPFAPHLAEELW----------------------------------------------------------------------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 1H3N.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -155245 for 4661 contacts (-33.3/contact) +
2D Compatibility (PS) -65471 + (NN) -24288 + (LL) 20964
1D Compatibility (HY) -21600 + (ID) 9350
Total energy: -254990.0 ( -54.71 by residue)
QMean score : 0.419
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