Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MDLRIQSKEVSHNLKELSKTLISYPFEKHVEALGEQCSNFVSIPINNDDYSNICTFVSDFINLIASYNLLESFLDFYKDKLKLSELVTEYANVTNNLLFKKLIKHLSGNNQLVKNFYQCIREIIKYNAPNKEYKPNQFFIIGKGKQKQLAKIYSHLKELSASEIKPQDMEDILKKLEELDKIFKTTDFTKFTPKTEIKDIIKEIDEKYPINENFKRQFNEFESNIEKHDEIKKDFERNKESLIREIENHCKNECNSEEEPEYKINDLLKNIQQICKNYIESHAVNDVSKDIKSMMCQFYLKQIDLLVNSEIVRYRYSNLFEPIQRSLWESIKILDNESGIYLFPKNIGEIKDKFEANKEKFKQSKNVSEFAEYCRECNPYTAFNFHLNINNGLSHQFEKFVPIMKEYKEPKITDNDLEAISTKETGLASQLSGHWFFQLSLFNKTNFNPNKIWIPLEFNKRSKIKFDKDLEIYFDSHESFNISKKYLQEIDQESLKKIKQSKDFFSIQKIESKHDN-----NDILQLEFFENDTSFLFAKGSFAEILEYNMQLKIDSLITKEFNKLLAIVQDSPQDSYQLKIRVRHNNKLPREKYT-----------EHEIKLEVYDCRKSHDHNEPIILSQQSTGFQWAFNFMFGFLYNVGSHFSFNHNIIYVMDEPATHLSVPARKEFRKFLKEYAHKNHVTFVLATHDPFLVDTDHLDEIRIVEKETEGSVIKNHFNYPLNNASKDSDALDKIKRSLGVGQHVFHNPQKHRIIFVEGITDYCYLSAFKLYLRYKEYKDNPIPFTFLPISGLKNDSNDMKETIEKLCELDNHPIVLTDDDRKCVFNQQATSERFKRANEEMHDPITILQLSDCDRHFKQIEDCFSANDRNKYAKNKQMELSMAFKTRLLYGGEDAIEKQTKRNFLKLFKWIAWATNLIKN |
2IT1 Chain:A ((28-214)) | -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------DGEFMALLGPSGSGKSTLLYTIAGIY--KPTSGKIYFD--EKDVTELP--PKDRNVGLVFQNW--ALYPHMTVYKNIAFPLELRKAPREEIDKKVREVAKMLHIDKLLN-------RYPWQLSGGQQQRVAIARALVK---------EPEVLLLDEPLSNLDALLRLEVRAELKRLQKELGITTVYVTHDQAEAL-AMADRIAVIRE---GEILQVGTPDEVYYKPKYKFVGGFLGNPPMNFVEAKVEDGKLVITEKSKLPIPKQYVEIVKETGITEVIIGFRPHDAEIVKGEGEGIVGEVYSFEPLGREQIVTVSVNDSIVKVFAPEGEHFSFGEKVTIKVKEELLVLFDKKTEKALEFSKL---------------------------------------------------------- |
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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) -55891 for 1244 contacts (-44.9/contact) +
2D Compatibility (PS) -17828 + (NN) -3594 + (LL) 39828
1D Compatibility (HY) -4400 + (ID) 1550
Total energy: -43435.0 ( -34.92 by residue)
QMean score : 0.240
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