Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MTSAIAIERICMEFGTPGQGLKALDDVSLDIHANEFFTLLGPSGCGKTTLLRLIAGFEQPSSGSIRLYGEHMEGLPPFRRPVNTVFQSYALFPHMSVADNIGFGLEMQGRPRSEIDATVSRMLDLVKLPEVGKRRADQLSGGQQQRIALARALASRPKVLLLDESLSALDLKLRKEMQIELKRLQHETGITFIFVTHDQEEALTMSDRIAVMSKGKVLQVGTPSDIYEAPLNRAVADFIGE--TNFLEGQADADGVRLADGQRL--------AATTPGSGAVTLAIRPERTELAADGQLEGVLENIVYVGTDTVYHLNVAGQPGFRVRQQNRDGARCPHSPGAKVRVRIPAAAIRVLAE |
| 2IT1 Chain:B ((4-297)) | ----IKLENIVKKFGN----FTALNNINLKIKDGEFMALLGPSGSGKSTLLYTIAGIYKPTSGKIYFDEKDVTELPPKDRNVGLVFQNWALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLNRYPWQLSGGQQQRVAIARALVKEPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEALAMADRIAVIREGEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVK-GEGEGIVGEVYSFEPLGREQIVTVSVNDSIVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKT |
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General information:
TITO was launched using:
| RESULT:
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Template: 2IT1.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -178175 for 2192 contacts (-81.3/contact) +
2D Compatibility (PS) -31305 + (NN) -17157 + (LL) -64
1D Compatibility (HY) -28800 + (ID) 6550
Total energy: -262051.0 ( -119.55 by residue)
QMean score : 0.469
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