Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSQSYINVIGAGLAGSEAAYQIAKR-GIPVKLYEMRGVKSTPQHKTDNFAELVCSNSFRGDSLTNAVGLLKEEMRRLDSIIMRNGEAHRVPAGGAMAVDREGYSEAVTEEIHKHPLIEVIRDEITDIPGDAITVIATGPLTSDSLAAKIHELNGGDGFYFYDAAAPIVDKNTIDMNKVYLKSRYDKGEAAYLNCPMTKEEFMAFHEALTTAEEAPLNSFEKEKYFEGCMPIEVMAKRGIKTMLYGPMKPVGLEYPEDYKGPRDGEFKTPYAVVQLRQDNAAGSLYNIVGFQTHLKWGEQKRVFQMIPGLENAEFVRYGVMHRNSYMDSPNLLDQTFATRKNPNLFFAGQMTGVEGYVESAASGLVAGINAARRFNGESEVVFPQTTAIGALPHYITHTDSKHFQPMNVNFGIIKELEGPRIRDKKERYEAIATRALKDLEKFLNY |
2DKH Chain:A ((31-68)) | -SQVDVLIVGCGPAGLTLAAQLAAFPDIRTCIVEQKEGPMELGQADGIACRTMEMFEAFEFADSILKEACWINDVTFWKPDPGQPGRIARHGRVQDTEDGLSEFPHVILNQARVHDHYLERMRNSPSRLEPHYARRVLDVKVDHGAADYPVTVTLERCDAAHAGQIETVQARYVVGCDGARSNVRRAIGRQLVGDSANQAWGVMDVLAVTDFPDVRYKVAIQSEQGNVLIIPREGGHLVRFYVEMDNITVEQLIATAQRVLHPYKLEVKNVPWWSVYEIGQRICAKYDDVVDAVATPDSPLPRVFIAGDACHTHSPKAGQGMNFSMQDSFNLGWKLAAVLRKQCAPELLHTYSSERQVVAQQLIDFDREWAKDPKEFQKYFEQHGRFTAGVGTHYAPSLLTGQAKHQALASGFTVGMRFHSAPVVRVCDAKPVQLGHCGKADGRW |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2DKH.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -9384 for 186 contacts (-50.5/contact) +
2D Compatibility (PS) -4094 + (NN) -496 + (LL) 208
1D Compatibility (HY) -400 + (ID) 550
Total energy: -14716.0 ( -79.12 by residue)
QMean score : 0.650
|
|
|