Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MQKNDDLLRERRKDEHVALGVKQNEQLAPSS--LKDIQLIGTSIPRYNVKDIDLTTTIFGKNVPFPFYINAMTGGSRHTKKINAELAEIAREVAIPMAVGSQSAALKNSSLIDTYNIVREINPNGMILANVS-PEVAIQDGLQ----AIEMLEANALQIHINPAQELVMQEGDRSFS-HWLTRIEEYVKLSPVPIVVKEVGFGMTRETVKTLADIGVQTVDLAGKGGTNFAQIE--NDRRR-----DQAYDFLLDWGISTGQALIDMQHQDAPKIAYLASGGIRNPLDIIKALALGADSVGMAGQIIYSL--KKEGVTKTIEKLELWKEQLRGLFVLANAKNIAELKTTPLIVSGELAKWGTLREINLVKLANRK |
3B04 Chain:B ((7-358)) | -----------RKVEHVEIAAFENVDGLSSSTFLNDVILVHQGFPGISFSEINTKTKFFRKEISVPVMVTGMTGGRNELGRINKIIAEVAEKFGIPMGVGSQRVAIEKAEARESFAIVRKVAPTIPIIANLGMPQLVKGYGLKEFQDAIQMIEADAIAVHLNPAQEVFQPEGEPEYQIYALEKLRDISKELSVPIIVKESGNGISMETAKLLYSYGIKNFDTSGQGGTNWIAIEMIRDIRRGNWKAESAKNF-LDWGVPTAASIMEVRY-SVPDSFLVGSGGIRSGLDAAKAIALGADIAGMALPVLKSAIEGKESLEQFFRKIIF---ELKAAMMLTGSKDVDALKKTSIVILGKLKEWAEYRGINL------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 3B04.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -163778 for 2974 contacts (-55.1/contact) +
2D Compatibility (PS) -36169 + (NN) -10522 + (LL) 2096
1D Compatibility (HY) -27600 + (ID) 6300
Total energy: -242273.0 ( -81.46 by residue)
QMean score : 0.502
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