Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MIKPNLRPKLGSSALIAFLSLYSSLVLNYAFFAKVVELHPFNGTGADIFLYTMPVVLFFLSNFVFHVIALPFVHKVLIPLILVISAAVSYQEIFFNIYFNKSMLNNVLQTTAAESARLITPGYVLWIVCLGVLPALAYIAVKVKYRVWYKELLTRLVLAAVSFLCALGIAMLQYQDYASFFRNNKSVTHLIVPSNFIGAGVSKYKDWKRSNIPYTQLDMAVVQNRPAGSLRRFVVLVVGETTRAANWGLNGYSRQTTPLL---AARGDEIVNFPQVRSCG-TSTAHSLPCMFSTFDR-T-------DYDEIKA---------------EHQDNLLDIVQRAGVEV---TWLENDSGCKGVCGKVPNTDVTSLNLPEYCRNGECLDNILLTKFDEVLNKN--DKDAVLILHTIGSHGPTYYERYTEAERKFTPTCDTNEINKCTRATLVNTYDNTVLYVDQFIDKVIRKLENRDDL-ESVVHYVSDHGESLGENGMYLHAAPYAIAPSGQTHIPMVMWFSKAFRQHGGIDFQCLKQKAAENEYSHDHYFSTVLGLMDISNSQTYRKEMDILAACRRPR |
3NKQ Chain:A ((125-328)) | -----------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------------FVRPPL-IIFSVDGFRASYMKKGSK---VMPNIEKLRSCG---THAPYMRPVYPTKTFPNLYTLATGLYPESHGIVGNSMYDPVFDATFHLRGREKFNHRWWGGQPLWITATKQGVRAGTFFWS----------------------------VSIP-HERRILTILQWLSLPDNERPSVYAFYSEQPDFSG--HKY-------GPF--G------------PEMTNPLREIDKTVGQLMDGLKQLKLHRCVNVIFVGDHGMED--------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3NKQ.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -52779 for 1158 contacts (-45.6/contact) +
2D Compatibility (PS) -18576 + (NN) -6397 + (LL) 29080
1D Compatibility (HY) -4400 + (ID) 1350
Total energy: -54422.0 ( -47.00 by residue)
QMean score : 0.083
|
|
|