Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MSKKLISIVDVKDYVGQEVTIGAWVANKSGKGK-IAFVQLRDGSAFFQGVAFKPNFIEKYGEESGLEKFDVIKRLNQETSVYVTGIVKEDERSK---FGYELDITDLEVIGESHEYPI---TPKEHGTDFLMDNRHLWLRSRKQMAVMQIRNAIIYSTYEFFDQNGFIKFDSPILSENAAEDSTELFETDYFGKPAFLSQSGQLYLEAGAMALGRVFDFGPVFRAEKSKTRRHLTEFWMMDAEYSFLSHEESLDLQEAYVKALIQGVL--DRAPQALDILERDVEALKRYIAEPFKRVSYDDAITLLQEHEADEDTDYEHLEHGDDFGSPHETWISNYFGVPTFVVNYPASFKAFYMKPVPGNPERVLCADLLAPEGYGEIIGGSMREDDYDALVAKMDELGMDKSEYDFYLDLRKYGSVPHGGFGIGIERMVTFVAGTKHIREAIPFPRMLHRIKP |
2XTI Chain:A ((3-437)) | -----VKIRDLVKHRNERVCIKGWIHRMRRQGKSLMFFILRDGTGFLQVLLM----------DKLCQTYDALT-VNTECTVEIYGAIKEV----EAPNGHELIADFWKIIGNAPPGGIDNVLNEEASVDKMLDNRHLVIRGENAAALLRLRAAATRAMREHFYNAGYVEVAPPTLVQTQVEGGSTLFNLDYFGEQSFLTQSSQLYLETCIPTLGDVFCIAQSYRAEKSRTRRHLAEYAHVEAECPFITLDDLMEKIEELVCDTVDRLLADEEAKKLLEHINPKFQPPER----PFLRMEYKDAIKWLQEHNVENEFG-NTFTYGEDIAEAAERFMTDTINKPILLNRFPSEIKAFYMQRDAKDNTLTESVDLLMP-GVGEIVGGSMRIWKFDELSKAFKNVEIDPKPYYWYLDQRLYGTCPHGGYGLGLERFICWLTNTNHIRDVCLYPRFVGRCVP |
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General information:
TITO was launched using:
| RESULT:
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Template: 2XTI.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -187664 for 3329 contacts (-56.4/contact) +
2D Compatibility (PS) -44844 + (NN) -13213 + (LL) 1936
1D Compatibility (HY) -32800 + (ID) 7150
Total energy: -283735.0 ( -85.23 by residue)
QMean score : 0.441
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