Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSVHATDAKPPGPSPADQLLDGLNPQQRQAVVHEGSPLLIVAGAGSGKTAVLTRRIAYLMAARGVGVGQILAITFTNKAAAEMRERVVGLVGEKARYMWVSTFHSTCVRILRNQAALIEGLNSNFSIYDADDSRRLLQMVGRDLGLDIKRYSPRLLANAISNLKNELIDPHQALAGLTEDSDDLARAVASVYDEYQRRLRAANALDFDDLIGETVAVLQAFPQIAQYYRRRFRHVLVDEYQDTNHAQYVLVRELVGRDSNDGIPPGELCVVGDADQSIYAFRGATIRNIEDFERDYPDTRTILLEQNYRSTQNILSAANSVIARNAGRREKRLWTDAGAGELIVGYVADNEHDEARFVAEEIDALAEGSEITYNDVAVFYRTNNSSRSLEEVLIRAGIPYKVVGGVRFYERKEIRDIVAYLRVLDNPGDAVSLRRILNTPRRGIGDRAEACVAVYAENTGVGFGDALVAAAQGKVPMLNTRAEKAIAGFVEMFDELRGRLDD-DLGELVEAVLERTGYRRELEASTDPQELARLDNLNELVSVAHEFSTDRENAAALGPDDEDVPDTGVLADFLERVSLVADADEIPEHGAGVVTLMTLHTAKGLEFPVVFVTGWEDGMFPHMRALDNPTELSEERRLAYVGITRARQRLYVSRAIVRSSWGQPMLNPESRFLREIPQELIDWRRTAPKPSFSAPVSGAGRFGSARPSPTRSGASRRPLLVLQVGDRVTHDKYGLGRVEEVSGVGESAMSLIDFGSSGRVKLMHNHAPVTKL |
2IS2 Chain:A ((6-646)) | ------------------LLDSLNDKQREAVAAPRSNLLVLAGAGSGKTRVLVHRIAWLMSVENCSPYSIMAVTFTNKAAAEMRHRIGQLMGTSQGGMWVGTFHGLAHRLLRAHH-MDANLPQDFQILDSEDQLRLLKRLIKAMNLDEKQWPPRQAMWYINSQKDEGLRPHH----IQSYGNPVEQTWQKVYQAYQEACDRAGLVDFAELLLRAHELWLNKPHILQHYRERFTNILVDEFQDTNNIQYAWIRLLAG-------DTGKVMIVGDDDQSIYGWRGAQVENIQRFLNDFPGAETIRLEQNYRSTSNILSAANALIENNNGRLGKKLWTDGADGEPISLYCAFNELDEARFVVNRIKTWQDNGG-ALAECAILYRSNAQSRVLEEALLQASMPYRIYGGMRFFERQEIKDALSYLRLIVNRNDDAAFERVVNTPTRGIGDRTLDVVRQTSRDRQLTLWQACRELLQEKA--LAGRAASALQRFMELIDALAQETADMPLHVQTDRVIKDSGLRTMYEQEKGEKGQTRIENLEELVTATRQFSY-----------DEDLMP---LQAFLSHAALEAGEGQ-ADTWQDAVQLMTLHSAKGLEFPQVFIVGMEEGMFPSQMSLDEGGRLEEERRLAYVGVTRAMQKLTLTYAETRRLYGKEVYHRPSRFIGELPEECVEEVRL-------------------------------------------------------------------------------------- |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IS2.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -325403 for 5396 contacts (-60.3/contact) +
2D Compatibility (PS) -70401 + (NN) -42105 + (LL) 4632
1D Compatibility (HY) -52400 + (ID) 13700
Total energy: -499377.0 ( -92.55 by residue)
QMean score : 0.552
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