Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDKIIVEGGQTRLQGQVVIEGAKNAVLPLLAATILPSQGKTLLTNVPILSDVFTMNNVVRGLDIQVDFNCDKKEILVDASGDILDVAPYEFVSQMRASIVVLGPILARNGHAKVSMPGGCTIGSRPIDLHLKGLEAMGATITQNGGDITAQAE-KLKGANIYMDFPSVGATQNLMMAATLASGTTTIENAAREPEIVDLAQLLNKMGAKVKGAGTETLTIIGVDALHGTEHDVVQDRIEAGTFMVAAAMTSGNVLVKDAIWEHNRPLISKLMEMGVEVSEEEDGIRVKADTKKLKPVTVKTLPHPGFPTDMQAQFTALMAVVNGESTMIETVFENRFQHLEEMRRMGLQTEILRDTAMIHGGRALQGAPVMSTDLRASAALILAGMVAQGQTVVGQLTHLDRGYYQFHEKLAALGANIKRVSEA |
4R7U Chain:C ((4-422)) | MEKFRVIGSTQPLQGEVTISGAKNAALPILFASILAEE-PVEVANVPHLRDIDTTMELLERLGAKVERN---GSVHVDAGPINQYCAPYDLVKTMRASIWALGPLVARFGQGQVSLPGGCAIGARPVDLHIHGLEQLGATITLEDGYVKAHVDGRLQGAHIVMDKVSVGATITIMCAATLAEGTTVLDNAAREPEIVDTAMFLNKLGAKISGAGTDSITIEGVERLGGGKHAVVPDRIETGTFLVAAAVSRGKIVCRNTHAHLLEAVLAKLEEAGAEIECGEDWISLDMTGRELKAVTVRTAPHPGFPTDMQAQFTLLNMMAKGGGVITETIFENRFMHVPELKRMGAKAEIEGNTVICGDVDRLSGAQVMATDLRASASLVIAGCIAKGETIVDRIYHIDRGYERIEDKLSALGANIERFRD- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4R7U.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -256913 for 3920 contacts (-65.5/contact) +
2D Compatibility (PS) -45436 + (NN) -15239 + (LL) 16
1D Compatibility (HY) -34800 + (ID) 10500
Total energy: -362872.0 ( -92.57 by residue)
QMean score : 0.466
|
|
|