Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MSVVGTPKSAEQIQQEWDTNPRWKDVTRTYSAEDVVALQGSVVEEHTLARRGAEVLWEQLHDLEWVNALGALTGNMAVQQVRAGLKAIYLSGWQVAGDANLSGHTYPDQSLYPANSVPQVVRRINNALQRADQIAKIEGD----TSVENWLAPIVADGEAGFGGALNVYELQKALIAAGVAGSHWEDQLASEKKCGHLGGKVLIPTQQHIRTLTSARLAADVADVPTVVIARTDAEAATLITSDVDERDQPFITGERTREGFYRTKNGIEPCIARAKAYAPFADLIWMETGTPDLEAARQFSEAVKAEYPDQMLAYNCSPSFNWKKHLDDATIAKFQKELAAMGFKFQFITLAGFHALNYSMFDLAYGYAQNQMSAYVELQEREFAAEERGYTATKHQREVGAGYFDRIATTVDPNSSTTALTGSTEEGQFH |
| 3I4E Chain:A ((2-412)) | ----SRQQQAQELQKQWETDPRWKGIKRAFTAEDVVRLRGSIQQEHTLAKRGAEKLWTLINNEPFVNALGALTGNQAMQQVKAGLKAIYLSGWQVAGDANVAGEMYPDQSLYPANSVPLVVKRINNTLTRADQIQWSEGKNPGDEGYVDFFAPIVADAEAGFGGVLNAFELMKAMIEAGASGVHFEDQLASVKKCGHMGGKVLVPTREAVAKLTAARLAADVMGTPTVLVARTDAEAADLITSDIDDNDKPYLTGERTVEGFFRTKPGLEQAISRGLAYAPYADLIWCETGKPDLEYAKKFAEAIHKQFPGKLLSYNCSPSFNWKKNLDDATIAKFQKELGAMGYKFQFITLAGFHALNYSMFNLAHGYARTQMSAFVELQQAEFAAADKGFTAVKHQREVGTGYFDAVTQTVER----------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3I4E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -104481 for 3353 contacts (-31.2/contact) +
2D Compatibility (PS) -44548 + (NN) -15301 + (LL) 1088
1D Compatibility (HY) -41200 + (ID) 13600
Total energy: -218042.0 ( -65.03 by residue)
QMean score : 0.631
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