Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTEIDFDIAIIGAGPAGMTAAVYASRANLKTVMIERGIPGG-----QMANTEEVENFPGFEM-ITGPDLSTKMFEHAKKFGAVYQYGDIKSVE-DKGEYKVINFGNKELTAKAVIIATGAEYKKIGVPGEQELGGRGVSYCAVCDGA--FFKNKRLFVIGGGDSAVEEGTFLTKFADKVTIVHRRDELRAQRILQDRAFKNDKIDFIWSHTLKSINEKDGKVGSVTLTSTKDGSEETHEADGVFIYIGMKPLTAPFKDLGITNDVGYIVTKDDMTTSVPGIFAAGDVRDKGLRQIVTATGDGSIAAQSAAEYIEHLNDQA |
4UP3 Chain:A ((6-312)) | ------DVVIIGSGPAAHTAAIYLGRSSLKPVMYEGFMAGGVAAGGQLTTTTIIENFPGFPNGIDGNELMMNMRTQSEKYGTTIITETIDHVDFSTQPFKLFTEEGKEVLTKSVIIATGATAKRMHVPGEDKYWQNGVSASAICDGAVPIFRNKVLMVVGGGDAAMEEALHLTKYGSKVIILHRRDAFRASKTMQERVLNHPKIEVIWNSELVELEGDGDLLNGAKIHNLVSGEYKVVPVAGLFYAIGHSPNSKFLGGQVKTADDGYILTEGP-KTSVDGVFACGDVQDRVYRQAIVAAGSGCMAALSCEKWLQ------ |
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General information:
TITO was launched using:
| RESULT:
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Template: 4UP3.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -148929 for 2555 contacts (-58.3/contact) +
2D Compatibility (PS) -31990 + (NN) -9570 + (LL) 1160
1D Compatibility (HY) -22000 + (ID) 6000
Total energy: -217329.0 ( -85.06 by residue)
QMean score : 0.502
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