Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
MKYIDIANIGFKYESEPVLENISFQVSAGEFIILTGENGAAKSTLLRIILGILQPDKGSVTFAKKNADGGRLLTGYVPQQIASFNA--------GFPSTVLELVRSGRFPNGKWFKRLTTKDHAHVEKALKSVEMWDYRHKRIGELSGGQKQRICLARMFAT------DPDILILDEPQTAMDKQSKIRFYNLLKHEAQVHGKAILMVTHDSEEMEDFVDKHIRLIRKEDVSWKCFSMDLCKEPSKRP
4G1U Chain:C ((12-228))
---LEASHLHYHVQQQALINDVSLHIASGEMVAIIGPNGAGKSTLLRLLTGYLSPSHGECHLLGQN------LNSWQPKALARTRAVMRQYSELAFPFSVSEVIQMGRAPYGG------SQDRQALQQVMAQTDCLALAQRDYRVLSGGEQQRVQLARVLAQLWQPQPTPRWLFLDEPTSALDLYHQQHTLRLLRQLTRQEPLAVCCVLHDLNLAALYADRIMLLAQGKLVA----------------
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) -123599 for 1560 contacts (-79.2/contact) +
2D Compatibility (PS) -21767 + (NN) -6578 + (LL) 1812
1D Compatibility (HY) -15600 + (ID) 2900
Total energy: -168632.0 ( -108.10 by residue)
QMean score : 0.501
(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
: