Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MDFWLYKQAQQNGHHIAITD--GQESYTYQNLYCEASLLAKRLKAYQQ---SRVGLYIDNSIQSIILIHACWLANIEIAMINTRLTPNEMTNQMRSIDVQLIFCTLPLELRGFQIVSLDDIE--FAGRDITTNGLLDNTMGIQYDTSNETVVPKESPSNILNTSFNLDDIASIMFTSGTTGPQKAVPQTFRNHYASAIGCKESLGFDRDTNWLSVLPIYHISGLSVLLRAVIEGFTVRIVDKFNAEQILTMIKNERITHISLVPQTLNWLMQQG---LHEPYNLQKILLGGAKLSATMIETALQYNLPIYNSFGMTETCSQFLTATPEMLHARPDTVGMPSANVDVKIKNPNK----EGHGELMIKGANVMNGYLYPTDLTG-TFENGYFNTGDIAEIDHEGYVMIYDRRKDLIISGGENIYPYQIETVAKQFPGISDAVCVGHPDDTWGQVPKLYFVSES-DISKAQLIAYLSKHLAKYKVPKHFEKVDTLPYTSTGKLQRNKLYRG |
| 3R44 Chain:A ((18-510)) | IGWMLRQRATVSPRLQAYVEPSTDVRMTYAQMNALANRCADVLTALGIAKGDRVALLMPNSVEFCCLFYGAAKLGAVAVPINTRLAAPEVSFILSDSGSKVVIYGAPSAPVIDAIRAQADPPGTVTD-WIGAD------------SLAERLRS--AAADEPAVECGGDDNLFIMYTS---GHPKGVVHTHESVHSAASSWASTIDVRYRDRLLLPLPMFHVAALTTVIFSAMRGVTLISMPQFDATKVWSLIVEERVCIGGAVPAILNFMRQVPEFAELDAPDFRYFITGGAPMPEALIKIYAAKNIEVVQGYALTESCGGGTLLLSEDALRKAGSAGRATMFTDVAVRGDDGVIREHGEGEVVIKSDILLKEYWNRPEATRDAFDNGWFRTGDIGEIDDEGYLYIKDRLKDMIISGGENVYPAEIESVIIGVPGVSEVAVIGLPDEKWGEIAAAIVVADQNEVSEQQIVEYCGTRLARYKLPKKVIFAEAIPRNPTGKILKTVLREQ |
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General information:
TITO was launched using:
| RESULT:
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Template: 3R44.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -314883 for 4178 contacts (-75.4/contact) +
2D Compatibility (PS) -50630 + (NN) -14589 + (LL) 652
1D Compatibility (HY) -26000 + (ID) 6350
Total energy: -411800.0 ( -98.56 by residue)
QMean score : 0.446
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