Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKISVLGSTGSIGKKTVDLLLKRKEEYQVEALSTCSNFALLACQAKLLNARYVAISNKRFYKDLKESLLGTGIKVEV--GTEGLMNVASLP-VDLSVVAVVGIAGLEPVMHVIESGTKVIALANKESIVCGGKLLLKKTEEKNVQIVPIDSEHNAIFQVL--------------QNGNKCVEKIILTASGGSFLNYSLEQLRNVTVGQALSHPTWNMGKKISVDSATMMNKALEIIEAHNLFNISPNRIEAIVHPESIIHGIVIYKDGFNFAVLAEADMAIPISYALSWPER-SALSYKLDLTK-QKLTFQEPDHKRFPALKLSMEVLNSSSPHTNSIVLNAANEVAVDKFLKSRIDFLEIIKVVKLTVENFDSYTDINSLSDIINIDLESRAIAKEIIKNKVLAYS |
3IIE Chain:A ((4-396)) | MKQLTILGSTGSIGNSTLSVVRANPELFKVTALVAGRNVREMAQQCLEFSPRYAAMSDEHSAKSLRLLLAEQGSDTEVYSGETAACELAALDDVDQVMAAIVGIAGLPSTLAAIRAGKQVL-LANKESLITCGKLFMDEVKRSRAQLLPIDSEHNAIFQSLPERIQRQLGYSSLNENG---VSRIILTGSGGPFRETPLSQFSDVTPDQA---------RKISVDSATMMNKGLEYIEARWLFNASAEQIEVVLHPQSVIHSMVRYHDGSILAQMGTPDMRTPIAHAMAYPMRVSSGVAPLDFCKVGALTFTTPDYQRYPCLKLAIDACNAG--QAATTALNAANEISVMAFLDSKIRFTDIEVINRTVVEGL-LLSEPTSVEEVLVIDRKARDVAAQVIAK------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3IIE.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -260982 for 3188 contacts (-81.9/contact) +
2D Compatibility (PS) -39131 + (NN) -11322 + (LL) 716
1D Compatibility (HY) -25600 + (ID) 7900
Total energy: -344219.0 ( -107.97 by residue)
QMean score : 0.522
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