Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | -------------------------------------------------MRAGLLLSLAWADYRGEARLSLCAIFALAAVITPLLVLFGLKYGLVSTLTERLE--RAPSVREIIP-VGGARYRAEDIAALAARADVAFAVPRTRQ---------IAATADLSGGG----ETALSVEMIPSAAGDPLLAGLPQP-DRPTRVVLSHG--------AAEKLGA-QPGERIVARIG--RRMDGQAQSQRLELEVLAVLPQERF---ARDALFAPLALLEAAEDYRDGR-----AVAAYGWPGKAGETPRARIYPGFRLYARDLDAVEGLRRHFVAS-GVEVATQAEAIAQVRSLSRNLGLVFWIVAA--LAIGGAFAAIAASS---LAAV--------------ERKRRALAVLRLLGFPTAALVGFVMLLA-----------LFSAVFGLFLAGL---LYAATAGALNHLFDNQSGEFVCRL--LPSHYLTALLATLLCSVLAAASGG--------------WRAARIEAAEGLRDV--------------------------------------- |
4R12 Chain:A ((15-587)) | YTTLYSSYPCTKIMTSDGQFGCSSKHGGNSGILYLIDDDESYNNYFSYSQQKDIIVVLDTNYFNSTSVLNLHNKSKIEGIIVLTDTKKTYPYSPDSRYPNKIYGLYPNSNLEWNPNADGFTYFSFPFPIFAIDNQTSVAIRNVSKHNRDGQYPAWGAELDSFMQGAINSETCLRRGFCEPVGGQSIWSSFSSKIDKEKEIILVMLPFDTTAFFRDLSIGADQSSFATVTLLSVIKSLAAVDRSSWNKEVVFAFWNAERWGYVGSEYFINDLLNFQCKTYNSDKSKCIDPPRADLAFQTQINFTKISTIIELNQIGRAQLDKNLGKYSLYLHTAGTKTSSVTDILDQVASSYENSTITFKPTTQTELPPSSSMSFLKKTNKIPVVVITDHDYKYSNPYYGYEQDDNENVLGSTLNDIVYILSTFIDRIAGGNNNITIDKNFINILYPCFTSSITCFNILMKTYPLNEVPNFYSSVFGTSLTTTLSPYETKLIHRLLYSITQYNSTLTNCTSDNDCPSSLCYSGQCVSSNTHLHNALSLGFDFDTSKNVWKIVNSSYPIFTESNWDYTALKVFKI |
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General information:
TITO was launched using:
| RESULT:
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Template: 4R12.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -210953 for 2979 contacts (-70.8/contact) +
2D Compatibility (PS) -40355 + (NN) 6789 + (LL) 0
1D Compatibility (HY) -14000 + (ID) 3300
Total energy: -261819.0 ( -87.89 by residue)
QMean score : 0.110
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