Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MCNDTATPQLEELVTTVANQLMTVDAATSAEVSQRVLAYLVEQLGVDVSFLRHNDRDRRATRLVAEWPPRLNIPDPDPLRLIYFADADPVFALCEHAKEPLVFRPEPATEDYQRLIEEARGVPVTSAAAVPLVSGEITTGLLGFIKFGDRKWHEAELNALMTIATLFAQVQARVAAEARLRYLADHDDLTGLHNRRALLQHLDQRLAPGQPGPVAALFLDLDRLKAINDYLGHAAGDQFIHVFAQRIGDALVGESLIARLGGDEFVLIPASPMSADAAQPLAERLRDQLKDHVAIGGEVLTRTVSIGVASGTPGQHTPSDLLRRADQAALAAKHAGGDSVAIFTADMSVSGELRNDIELHLRRGIESDALRLVYLPEVDLRTGDIVGTEALVRWQHPTRGLLAPGCFIPVAESINLAGELDRWVLRRACNEFSEWQSAGLGHDALLRINVSAGQLVTGGFVDFVADTIGQHGLDASSVCLEITENVVVQDLHTARATLARLKEVGVHIAIDDFGTGYSAISLLQTLPIDTLKIDKTFVRQLGTNTSDLVIVRGIMTLAEGFQLDVVAEGVETEAAARILLDQRCYRAQGFLFSRPVPGEAMRHMLSARRLPPTCIPATDPALS |
3SY8 Chain:A ((143-392)) | --------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------SVADVVRGLDNGEFEAYYQPKVALDGGGLIGAEVLARWNHPHLGVLPPSHFLYVMETYNLVDKLFWQLFSQGLATRRKLAQLG--QPINLAFNVHPSQLGSRALAENISALLTEFHLPPSSVMFEITETGLISAPASSLENLVRLWIMGCGLAMDDFGAGYSSLDRLCEFPFSQIKLDRTFVQKMKTQPRSCAVISSVVALAQALGISLVVEGVESDEQRVRLIELGCSIAQGYLFARPMPEQHFLDYCSGS--------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3SY8.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -188665 for 1998 contacts (-94.4/contact) +
2D Compatibility (PS) -26981 + (NN) -9570 + (LL) 25820
1D Compatibility (HY) -22800 + (ID) 3750
Total energy: -225946.0 ( -113.09 by residue)
QMean score : 0.494
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