Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MRYITVSGLTFQYDSDPVLEGVNYHLDSGEFVTLTGENGAAKSTLIKATLGILTPKVGTVNISKENKEGKKLRIAYLPQQIASFNA--------GFPSSVYEFVKSGRYPRNGWFRRLTKHDEEHIRVSLEAVGMWDNRHKKIGSLSGGQKQRAVIARMFAS------DPDIFVLDEPTTGMDAGTTEKFYELMHHNAHKHGKSVLMITHDPDEVKGYADRNIHLVRNQSLPWRCFNVHTNEMEVESDAT
4G1U Chain:C ((12-223))
---LEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQNLN------SWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYGG------SQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVACGTPEEVLNAETLTQWYQ
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) -74996 for 1498 contacts (-50.1/contact) +
2D Compatibility (PS) -21227 + (NN) -8033 + (LL) 1552
1D Compatibility (HY) -14000 + (ID) 2950
Total energy: -119654.0 ( -79.88 by residue)
QMean score : 0.508
(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
: