Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKKLIIGIFSLIIIAILAWQGFSFLKHKEIKLQQAVVEKEIRIAEKTVEVVKRQKTERVLFLEPKGYDKSLSADILKWNQKSFEHKKFYDNQYIILRPQLADSNFANVKKLSIYQILYQKEKGSMFQKSSRLLRTYLLDQNKKPFELDELLAHNISGFKAILENIAPGTQLKEHDSNKEFLKTGRVTDGLDVKDGKLIINDLKLPLDKLYNVIDESYLKSSDLDLVSNLKAKA--PRVALTFDDGPNEKTTPKALEILKRYNAKATFFVMGQSAVGHTDILQRMHAEGHEIGNHTWDHPNLTKLPAEKIKEEIHKTNDLIMKATGQKPVYLRPPYGATNATVKTVTGLKEMLWSVDTEDWKNHNTQAMMTNIKKQLRPGGVILMHDIHQTSIDALPTIMDYLITQGYYFVTVGELYSTP------------ |
2C1I Chain:A ((14-431)) | ---------------------------FEQKIESLKKEKDDQLSEGNQKEHFRQGQAEVIAYYPLQGEKVISSVRELINQDVKDKLESKDN-LVFYYTEQEESGLKGVVNRNVTKQIYDIE-----ETEKTSLGKVHLTEDGQPFTLDQLFSDASKAKEQLIKELTSFDLSA---------------WNFDYKDSQIILYEIALPVSAFFDVIQSSYLLEKDAALYQSYFDKKHQKVVALTFNDGPNPATTPQVLETLAKYDIKATFFVLGKNVSGNEDLVKRIKSEGHVVGNHSWSHPILSQLSLDEAKKQITDTEDVLTKVLGSSSKLMRPPYGAITDDIRNSLDLSFIMWDVDSLDWKSKNEASILTEIQHQVANGSIVLMHDIHSPTVNALPRVIEYLKNQGYTFVTIPEMLNTRLKAHELYYSRDE |
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General information:
TITO was launched using:
| RESULT:
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Template: 2C1I.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -78549 for 2830 contacts (-27.8/contact) +
2D Compatibility (PS) -39643 + (NN) -11676 + (LL) 4188
1D Compatibility (HY) -24800 + (ID) 6000
Total energy: -156480.0 ( -55.29 by residue)
QMean score : 0.429
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