Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTTLITTFQERFGDWTQSLIEHLQLSLLTLILATLIAIPLGIIISHYKKISHVVLQITGIFQTIPSLALLGLFIPFMGIGTVPAVVALIIYALFPILQNTVTVLMQIDANLIEAATAFGMTRWERLKKFELALSMPVIISGIRTASVMIIGTATLASLIGAGGLGSFILLGIDRNNPSLILIGAISSAVLAIIFSGLIGLLEKARLRTIAVSGILLLAGLGLSYAPKWMPGTNTATITVAGKLGTEPDILINMYKELIEDQTDIKVKLKPNFGKTTFLYQALKSGDIDLYPEFTGTITSSLLKNPPKVSNNPKQVYNLAKNGILKQDKLSLLSPMAYQNTYAVAVKKDYAEANQLKNISDLKKLDKLKAGFTL------EFKDREDGSIGLQKHYG--------LNLDISTLEPALRYQAINSKDVNIIDAYSTDSELIQYQLQILKDDKHLFPPYQGAPLLRQDTIKKYPQVKKALNKLAGHITEKEMQEMNYQVAVKHKSAATVAKQYLKAHHIIK |
4NE4 Chain:A ((6-286)) | ------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------AQVVVSSKIDTEGGVLGNIILAVL-NQNKIETTDRIQLGATPVVRKAITAGEIDIYPEYTGNAAFFFSKADDPLWKDAAKGYEEAKTLDYDANKIVWLAPSPANNTWAIALRKDVADKNNLKTLSDFGKY--VAGGGTVVLAASSEFVNSAAALPAFQTTYGFTMKPDQLITLSGGDTAATIAAAANQTNNANAAMVYGTDGGIAPSGLVVLEDDKHVQPVYQPAPIIREEVLKKHPNIEELLKPVFEKLDLATLQDLNARVQVGGEQAKTVAMDFLTKNGFAK |
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General information:
TITO was launched using:
| RESULT:
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Template: 4NE4.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -75570 for 2283 contacts (-33.1/contact) +
2D Compatibility (PS) -28608 + (NN) -7178 + (LL) 20844
1D Compatibility (HY) -14800 + (ID) 3950
Total energy: -109262.0 ( -47.86 by residue)
QMean score : 0.399
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