Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MAVRLIPDNLNIKFSKYRKLTALISIILVIFSLFIVVLRGVNLGIDFTGGILMEIKSSSED---HAVLNILKENGF-----TIQSSKAGNNLVMYFREEGNEGKIKKIKSVLEEKLGSSISYRKIDYIGPRISSTQILEGILSMFIAIVGIFFYVWFRFNWQCGFGGTIALIHDVILTVGFVSLTGIKFNISSVAALLTVIGYSINNSVVIYDRIREYQKSGKNRQMSDIVDASINVTLFRTVLTSGTTLLATIPLTLICTDTVRDFSLIIFFGILIGTCSAIFISAPILTCKVLISRIAV |
3AQP Chain:A ((440-726)) | ---------PRFNFMGPARYVTAATLLLAALAAGVVFAKGFNYSIDFTGGTAYTLRA-EPNVEVETLRRFLEEKGFPGKEAVITQV--YREFLVKLPPL-SDERRLELERLFASELKA--TVLASETVGPAIGEELRRNAVMAVLVGLGLILLYVAFRFDWTFGVASILAVAHDVAIVAGMYSLLGLEFSIPTIAALLTIVGYSINDSIVVSDRIRENQKLLRHLPYAELVNRSINQTLSRTVMTSLTTLLPILALLFLGGSVLRDFALAIFVGIFVGTYSSIYVVSALVVAWKNR----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3AQP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -207606 for 2141 contacts (-97.0/contact) +
2D Compatibility (PS) -27814 + (NN) -618 + (LL) 1524
1D Compatibility (HY) -25600 + (ID) 4250
Total energy: -264364.0 ( -123.48 by residue)
QMean score : 0.315
|
|
|