Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MNRLHGQQVKIGYGDNTIINKLDVEIPDGKVTSIIGPNGCGKSTLLKALSRLLAVKEGEVFLDGENIHTQSTKEIAKKIAILPQSPEVADGLTVGELVSYGRFPHQKGFGRLTAEDKKEIDWAMEVTGTDTFRHRSINDLSGGQRQRVWIAMALAQ------RTDIIFLDEPTTYLDICHQLEILELVQKLNQEQGCTIVMVLHDINQAIRFSDHLIAMKEGDIIATGSTEDVLTQEILEKVFNIDVVLSKDPKTGKPLLVTYDLCRRAYS
4G1U Chain:D ((23-260))
--------------QQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAP----YG--GSQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQADLGVSRHPESALP-------------
General information:
TITO was launched using:
RESULT:
Template:
4G1U.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -139164 for 1769 contacts (-78.7/contact) +
2D Compatibility (PS) -25685 + (NN) -14803 + (LL) 2308
1D Compatibility (HY) -19600 + (ID) 4100
Total energy: -201044.0 ( -113.65 by residue)
QMean score : 0.517
(partial model without unconserved sides chains):
PDB file :
Tito_4G1U.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4G1U-query.scw
PDB file :
Tito_Scwrl_4G1U.pdb
: