Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VDFVIEMLGIRKEFSGFVANDNITLQLKQGEIHALLGENGAGKSTLMNVLFGLYEPDGGEIRVRGTKENINSPNKANEL--GIGMVHQHFMLVDKFTVAENIILGKEPSKLGVIEKKKAIEEIKEISDRYGLRVDPNAIVRDISIGMQQRVEILKTLYRGADILIFDEPTAVLTPQEIKELIQIMRSLIKEGKSIILITHKLKEIMDVCDRVTVIRRGKGMGTVNVPETTPQDLANLMVGREVVFTTEKIDANPGKDVLEVKDLVVKESRGVESVRGLNLTVRAGEIVGIAGVDGNGQSELISAIAGLSKVTSGSILLNGEHIENKKPRKITEAGLGHIPEDRHKHGLVLEMSLGENIALQTYYKKPISSKGFLNHKAMYDFARELIEEYDVRASSEYVAAKSLSGGNQQKAIIAREIHRNPDFLIAAQPTRGLDVGAIEFIHRRLIEQRDNGKAVLLMSFELDEIMNVSDRIAVIYEGKIVAIVDPKETTEQELGLMMAGSSKQEAEMGEKEHV |
4YMS Chain:J ((7-223)) | ---------VYKNFGSLEVLKGVTLKVNKGEVVVIIGPSGSGKSTLLRCINLLEEPTKGEVFIDGVKIN-NGKVNINKVRQKVGMVFQHFNLFPHLTAIENITLA--PVKVKKMNKKEAEELAVDLLAKVGLLDKKDQYPIKLSGGQKQRLAIARALAMQPEVMLFDEPTSALDPEMVKEVLNVMKQLANEGMTMVVVTHEMGFAREVGDRVIFMDDG-----VIVEEGTPEEI----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 4YMS.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -114012 for 1700 contacts (-67.1/contact) +
2D Compatibility (PS) -23627 + (NN) -13001 + (LL) 21120
1D Compatibility (HY) -15600 + (ID) 3700
Total energy: -148820.0 ( -87.54 by residue)
QMean score : 0.428
|
|
|