Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTSPEERYSSLRRFATEIRLNTLETLNHLGFGHYGGSLSIVETLAILYGDIMDINPEKFKESDRNYMVLSKGHAGPALYSTLYLKGF-FDKTFLHSLNTNGTKLPSHPDRNLTPGIDVTTGSLGQGISIATGIAYAQKIEN----------SSYYTYTIVGDGELNEGQCWEAIQFAAHHQLHHLIVFVDDNKKQLDGLTADICNPGDFVAKFEAFGFDAVRV-KGD-DIEAIDKAIKT-FQ-DSNSVKPKCIVLDSIKGQGVKELEELASNHHLRPDLQQKTMLERAVISLRESLEVVE |
1GPU Chain:A ((4-269)) | ------FTDIDKLAVSTIRILAVDTVSKANSGHPGAPLGMAPAAHVLWS-QMRMNPTNPDWINRDRFVLSNGHAVALLYSMLHLTGYDLSIEDLKQFRQLGSRTPGHPEFE-LPGVEVTTGPLGQGISNAVGMAMAQANLAATYNKPGFTLSDNYTYVFLGDGCLQEGISSEASSLAGHLKLGNLIAIYDDNKITIDGATSISF-DEDVAKRYEAYGWEVLYVENGNEDLAGIAKAIAQAKLSK---DKPTLIKMTTTIGYGSLHA-GSHSVHGAPLKADDVKQLKSKFGFNPDKSFVVP |
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General information:
TITO was launched using:
| RESULT:
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Template: 1GPU.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -90789 for 2221 contacts (-40.9/contact) +
2D Compatibility (PS) -27550 + (NN) -15522 + (LL) 288
1D Compatibility (HY) -8000 + (ID) 4400
Total energy: -145973.0 ( -65.72 by residue)
QMean score : 0.523
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