Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSENLGQLAINQARENGGKLEVISKVKVEDKRDLSIAYTPGVASVSSAIAEDVELAYELTTKKNTVAVVSDGSAVLGLGDIGPEA-AMPVMEGKAALFKRFANVD---AVPIVL-----------------------KTNDTEEII-SIVKAISPTFGG---INLEDISAPRCFEIEQRLIEECDIPVFHDDQHGTAIVVLAALFNSLKLVKKDIEDIRVVVNGGGSAGLSITRKLLSA----------GAKHVTVVDRFGIINDKDRESLAPHHKAIAKLTNREFQSGSLEDALENAD--VFIGVSAPE-ALHAEWISKMAD---KPIVFAMANPIP--EIYPDQA--LKAGAYIVGTGRSDFPN-----------QINNVLAFPGIFRGALDARAKTITVEMQIAAARGIASLIPEEELSTTHIIPNAFQNDVADVVAKSVSNAVQK |
| 1O0S Chain:A ((175-526)) | -------------------------------------------------------------------VVTDGERILGLGDLGAYGIGIPV--GKLALYVALGGVQPKWCLPVLLDVGTNNMDLLNDPFYIGLRHKRVRGKDYDTLLDNFMKACTKKYGQKTLIQFEDFANPNAFRLLDKYQDK--YTMFNDDIQGTASVIVAGLLTCTRVTKKLVSQEKYLFFGAGAASTGIAEMIVHQMQNEGISKEEACNRIYLMDIDGLVT-KNRKEMNPRHVQFAKDMP---ETTSILEVIRAARPGALIGASTVRGAFNEEVIRAMAEINERPIIFALSNPTSKAECTAEEAYTFTNGAALYASG-SPFPNFELNGHTYKPGQGNNAYIFPGVALGTILFQIRHVDNDLFLLAAKKVASCVTEDSLKVGRVYPQLKEIREISIQIAVEMAKYCY |
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General information:
TITO was launched using:
| RESULT:
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Template: 1O0S.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -215209 for 2343 contacts (-91.9/contact) +
2D Compatibility (PS) -31265 + (NN) -9416 + (LL) 5628
1D Compatibility (HY) -25200 + (ID) 4500
Total energy: -279962.0 ( -119.49 by residue)
QMean score : 0.513
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