Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
FEKCGKRVDRLDQRRSKLRVVGG---HPGNSPWTVSLRNRQGQHFCGGSLVKEQWILTARQCFSSCHMPLTGYEVWLGTLFQNPQHGEPSLQRVPVAKMVCGPSGSQLVLLKLERSVTLNQRVALICLPPEWYVVPPGTKCEIAGWGETKGTGNDTVLNVALLNVISNQECNIKH--RGRVRESEMCTEGLLAPVGACEGDYGGPLACFTHNSWVLEGIIIPNRVCARSRWPAVFTRVSVFVDWIHKVMRLGHHHHHH
4A5T Chain:S ((548-789))
---CGK--PQVEPKKCPGRVVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRP-SSYKVILGA--HQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMR--------
General information:
TITO was launched using:
RESULT:
Template:
4A5T.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -168032 for 2010 contacts (-83.6/contact) +
2D Compatibility (PS) -25859 + (NN) -14879 + (LL) 1344
1D Compatibility (HY) -19600 + (ID) 5000
Total energy: -232026.0 ( -115.44 by residue)
QMean score : 0.412
(partial model without unconserved sides chains):
PDB file :
Tito_4A5T.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-4A5T-query.scw
PDB file :
Tito_Scwrl_4A5T.pdb
: