Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSEKKILILCQYFYPEYVSSATLPTQLAEDLIANHINVDVMCGWPYEYSNHKQVSKTEMHRGIRIRRLKYSRFNNKSKVGRIINFFSLFSKFVINIPKMLKYDQILVYSNPPILPLIPDVLHRLLKKKYSFVVYDIAPDNAIKTGATRPGSMIDKLMRYINRHVYKNAENVIVLGTEMKNYLLNHQISKNADNIHVIPNWYDMRQLQDNRIYNDTFKAYR-EQYDKILLYSGNMGQLQDMETLISFL-KLNKDQPQTLTILCGHGKKFADVKTAIEDHRIEN-VKMFEFLTGTDYADVLKIADVCIASLIKEGVGLGVPSKNYGYLAAKKPLVLIMDKQSDIVQHVEQYDAGIQIDNGDAHAIYNFINT--HSSKELHEMGERAHQLFKDKYTREI--NTMKYYNLLK------------ |
3C48 Chain:A ((19-438)) | -SHMRVAMISMHTSPLQQGMNVYILSTATELAKQGIEVDIYTRAT----RPSQGEIVRVAENLRVINIAAGPYEGLS-KEELPTQLAAFTGGMLSFTRREKVTYDLIHSHYWLSGQVGWLLRDLWRIPLIHTA------HTLAAVKNSYDTPESEARRICEQQLVDNADVLAVNTQEEMQDLMHHY-DADPDRISVVSPGADVELYSPGT--ERSRRELGIPLHTKVVAFVGRLQPFKGPQVLIKAVAALFDRDPDRNLRVIICGGPSDTYRHMAEELGVEKRIRFLDPRPPSELVAVYRAADIVAVPSFNESFG----LVAMEAQASGTPVIAA--RVGGLPIAVAEGETGLLVDGHSPHAWADALATLLDDDETRIRMGEDAVEHARTFSWAATAAQLSSLYNDAIANENVDGETHHG |
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General information:
TITO was launched using:
| RESULT:
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Template: 3C48.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -228095 for 3222 contacts (-70.8/contact) +
2D Compatibility (PS) -40464 + (NN) -8526 + (LL) 1368
1D Compatibility (HY) -5200 + (ID) 2750
Total energy: -283667.0 ( -88.04 by residue)
QMean score : 0.461
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