Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MIYFDHAATTKMSEAALEVFMSASREFFANSESLHDAGTKSAALLEKCRGSFAEILHVPSRGIMFTSGGTESNQIAIQTLL---HSTKKKEVLVSPLEHASVWQQLEALEEAGACWLRLLPVDAFGRVDPAVLSDMISPDTGLVIIQHVNSEIGSIQPIRELAHIAKQAGVYFHTDIVQSFGKL--DLTLDDVTSFSISSHKIYGPKGAGLLFIKPDVPM---QVPLPNVH----HEFGFRPGTVNVPAIAAFTTAAYDIMGNREKEARRIAELKKAICEAL-TAKVKVEGGLN-TSPFILGITLPNMQGQEALLALNEADIQISTTSACSLRDPAPSRTLLATGKTIEEASRFIRLSFGRENELSDSLIFKKELDKLLRKR |
| 3VAX Chain:A ((22-376)) | -TYLDAAATTRVDQRVADIVLHWMTAEFGNAGSRHEYGIRAKRGVERAREYLASTVSAEPDELIFTSGATESNNIALLGLAPYGERTGRRHIITSAIEHKAVLEPLEHLAGRGFEVDFLTPGPS-GRISVEGVMERLRPDTLLVSLMHVNNETGVIQPVAELAQQLRATPTYLHVDAAQGYGKVPGDLT-TPIDMISISGHKIGAPKGVGALVTRRREEMDDERVPLEPIMFGGGQERKLRPGTLPVPLIMGLAEAAKIFEAEHAQWQVAAQDLRSRLLAGLASTSFQVNGDQDHVVPHILNLSFEDVDAEAFLVTLKDL-VAVATGSASTSASFTPSHVLRAMGLPEEAASKSLRFSW----------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3VAX.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -164940 for 2886 contacts (-57.2/contact) +
2D Compatibility (PS) -38038 + (NN) -22526 + (LL) 2064
1D Compatibility (HY) -15600 + (ID) 5500
Total energy: -244540.0 ( -84.73 by residue)
QMean score : 0.505
|
|
|