Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MASPSLPGSDCSQIIDHSHVPEFEVATWIKITLILVYLIIFVM-GLLGNSATIRVTQVLQKKGYLQKEVTDHMVSLACSDILVFLIGMPMEFYS-----IIWNPLTTSSYTLSCKLHTFLFEACSYATLLHVLTLSFERYIAICHP---FRYKAVSGPCQVKLLIGFVWVTSALVALPLLFAMGTEYPLVNVPSHRGLTCNRSSTRHHEQPETSNMSICTNLSSRWTVFQSSIFGAFVVYLVVLLSVAFMCWNMMQVLMKSQKGSLAGGTRPPQLRKSESEESRTARRQTIIFLRLIVVTLAVCWMPNQIRRIMAAAKPKHDWTRSYFRAYMILLP--FSETFFYLSSVINPLLYTVSSQQFRRVFVQVLCCRLSLQHANHEKRLRVHAHSTTDSARFVQRPLLFASRRQSSARRTEKIFLSTFQSEAEPQSKSQSLSLESLEPNSGAKPANSAAENGFQEHEV |
3CAP Chain:A ((27-323)) | --------------------PQYYLAEPWQFSMLAAYMFLLIMLGFPINFLTLYVT-VQHKK--LRTPLNYILLNLAVADLFMVFGGFTTTLYTSLHGYFVFGPT-------GCNLEGFFATLGGEIALWSLVVLAIERYVVVCKPMSNFRF----GENHAIMGVAFTWVMALACAAPPLVGWSRYIP-------EGMQCSCGIDYYTPHEETNN--------------ESFVIYMFVVHFIIPLIVIFFCY-----------GQLVFTVKEAAAQQQESATTQKAEKEVTRMVIIMVIAFLICWLPYAGVAFYIFTHQGSD-----FGPIFMTIPAFFAKT----SAVYNPVIYIMMNKQFRNCMVTTLCCGKN----------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3CAP.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -185106 for 2194 contacts (-84.4/contact) +
2D Compatibility (PS) -29131 + (NN) -2755 + (LL) 10868
1D Compatibility (HY) -33200 + (ID) 3900
Total energy: -243224.0 ( -110.86 by residue)
QMean score : 0.294
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