Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MITLKSRREIDEMKAAGKILADTHKELKKIIKPGITSWDLEVFTEEFLRKNGATPEQKGFEGYEYAICASINDEICHGFPRKQKLNQGDIITVDMVVNYHGALADSAWTYAVGEVPDDVKHLMDVTHKALYLGIEQAQVGARVGDIGHAIQTYVESENLAVVREFIGHGVGPTLHEKPDIPHYGTAGKGPRLKEGMVITVEPMVNMGAWKAKMDD-NGWTARTVDGSLSAQYEHTFAITKDGPEILTYQGEND
3MR1 Chain:A ((5-251))
MIKIHTEKDFIKMRAAGKLAAETLDFITDHVKPNVTTNSLNDLCHNFITSHNAIPAPLNYKGFPKSICTSINHVVCHGIPNDKPLKNGDIVNIDVTVILDGWYGDTSRMYYVGDVAIKPKRLIQVTYDAMMKGIEVVRPGAKLGDIGYAIQSYAEKHNYSVVRDYTGHGIGRVFHDKPSILNYGRNGTGLTLKEGMFFTVEPMINAGNYDTILSKLDGWTVTTRDKSLSAQFEHTIGVTKDGFEIFT------
General information:
TITO was launched using:
RESULT:
Template:
3MR1.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -115077 for 2136 contacts (-53.9/contact) +
2D Compatibility (PS) -26466 + (NN) -10881 + (LL) -12
1D Compatibility (HY) -20800 + (ID) 5250
Total energy: -178486.0 ( -83.56 by residue)
QMean score : 0.606
(partial model without unconserved sides chains):
PDB file :
Tito_3MR1.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-3MR1-query.scw
PDB file :
Tito_Scwrl_3MR1.pdb
: