Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)



Input alignment information:
Query sequence---------------------------MNAEEKKGLQRAIEEITEIAKGFGLDFYPMRYEIC-PAEIIYTFGAYGMPTRFSHWSFGKQF----------HKMKLHYDLGLSKIYELVINSDPCY-----------------AFLLDSNS------LIQNKLIVAHVLA-----------HCDFFKN----------NCRFQNTK---RDMVESMAATAERIKHYEQVHGIKEVESFLDAI---LSIQEHIDPSLVRPKLQW---SVDDEEEEIEEAATP----------YDDLWSLDEKKPKKQ--VKKSKKPFPPRPEKDILLFIEEHSRELEPWQRDILTMMREEMLYFWPQLETKIM------------NEGWASYWHQRII----------------------------RELDLTS-DEAIEFAKLN---AGVVQ-----------------PSKTGINPYY--------LGLK--------IFEDIEKRYNNPTEEMKKMGV-------QPDSGREKMFEVREIES---------DISFIRNYLT-KELVMREDLYLFQKQGRDYKIIDKQWKSVRDQLVSMRVNGGFPYLTVNDGDYMKNNELYIKHWYEGI------------ELDLKYLEKV----LPYLFQLWGR--SVHIESVLEDKEVMFSYDGKGVHRRYL-
4S3Q Chain:A ((2-691))ESKRLDNAALAAGISPNYINAHGKPQSISAETKRRLLDAMHQTPVPNVMVYTSGKKMPMVVEGSGEYSWLLTTEEGTQYKGHVTGGKAFNLPTKLPEGYHTLTLTQD-DQRAHCRVIVAPKRCYEPQALLNKQKLWGACVQLYTLRSEKNWGIGDFGDLKAMLVDVAKRGGSFIGLNPIHALYPANPESASPYSPSSRRWLNVIYIDVNAVEDFHLSEEAQAWWQLPTTQQTLQQARDADWVDYSTVTALKMTALRMAWKGFAQRDDEQMAAFRQFVAEQGDSLFWQAAFDALHAQQVKEDEMRWGWPAWPEMYQNVDSPEVRQFCEEHRDDVD-FYLWLQWLAYSQFAACWEISQGYEMPIGLYRDLAVGVAEGGAETWCDRELYCLKASVGAPPDILGPLGQNWGLPPMDPHIITARAYEPFIELLRANMQNCGALRIDHVMSMLRLWWIPYGETADQGAYVHYPVDDLLSILALESKRHRCMVIGEDLGTVPVEIVGKLRSSGVYSYKVLYFENDHEKTFRAPKAYPEQSMAVAATHDLPTLRGYWECGDLTLGKTLGLYPDEVVLRGLYQDRELAKQGLLDALHKYGCLPKRAGHKASLMSMTPTLNRGLQRYIADSNSALLGLQPEDWLDMAEPVNIPGTSYQYKNWRRKLSATLESMFADDGVNKLLKDLDRRRRSAH


General information:
TITO was launched using:
RESULT:

Template: 4S3Q.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
Monomeric PKB - chain A - contact count / total energy / energy per contact / energy per residue : 1584 -103387 -65.27 -221.86
target 2D structure prediction score : 0.46
Monomeric hydrophicity matching model chain A : 0.61

3D Compatibility (PKB) : -65.27
2D Compatibility (Sec. Struct. Predict.) : 0.46
1D Compatibility (Hydrophobicity) : 0.61
QMean score : 0.162

(partial model without unconserved sides chains):
PDB file : Tito_4S3Q.pdb:





(Unconserved sides chains are recalculated) :
Sequence: align-4S3Q-query.scw
PDB file : Tito_Scwrl_4S3Q.pdb: