Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
Query sequence
FEKCGKRVDRLDQRRSKLRVVGG---HPGNSPWTVSLRNRQGQHFCGGSLVKEQWILTARQCFSSCHMPLTGYEVWLGTLFQNPQHGEPSLQRVPVAKMVCGPSGSQLVLLKLERSVTLNQRVALICLPPEWYVVPPGTKCEIAGWGETKGTGNDTVLNVALLNVISNQECNIKH--RGRVRESEMCTEGLLAPVGACEGDYGGPLACFTHNSWVLEGIIIPNRVCARSRWPAVFTRVSVFVDWIHKVMRLGHHHHHH
1BUI Chain:A ((6-248))
--DCGK--PQVEPKKCPG-VVGGCVAHPHSWPWQVSLRTRFGMHFCGGTLISPEWVLTAAHCLEKSPRP-SSYKVILGA--HQEVNLEPHVQEIEVSRLFLEPTRKDIALLKLSSPAVITDKVIPACLPSPNYVVADRTECFITGWGETQGTFGAGLLKEAQLPVIENKVCNRYEFLNGRVQSTELCAGHLAGGTDSCQGDSGGPLVCFEKDKYILQGVTSWGLGCARPNKPGVYVRVSRFVTWIEGVMR--------
General information:
TITO was launched using:
RESULT:
Template:
1BUI.pdb
Alignment :
align.pir
Tito was launched with SMD and SCWRL
Tito text output
3D Compatibility (PKB) -153157 for 2057 contacts (-74.5/contact) +
2D Compatibility (PS) -25473 + (NN) -12521 + (LL) 1380
1D Compatibility (HY) -19600 + (ID) 4950
Total energy: -214321.0 ( -104.19 by residue)
QMean score : 0.444
(partial model without unconserved sides chains):
PDB file :
Tito_1BUI.pdb
:
(Unconserved sides chains are recalculated) :
Sequence:
align-1BUI-query.scw
PDB file :
Tito_Scwrl_1BUI.pdb
: