Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | VTFERLGTMNVNAEGHLEIGGVDTLKLADKYGTPLYVYDVALIRDRARGFKKTFEELGVKAQVAYASKAFSAVAIYQLMAEEGLSLDVVSGGELFTAIKANFPPERIHFHGNNKSAEEIHMALDYGIGCFVIDNYYEISLLEDILIERNEKASVLIRVTPGIEAHTHDYILTGQDDSKFGFGLTNGQAEKAIKQVLHASASFDLIGLHCHIGSQIFETTGFKLAARRIMDKLVEWHQTLGFDSKVLNLGGGFGVRYTAEDEPLEPSEYVRQIMDEVRDVAESNDIDIPEIWIEPGRSLVGEAGTTLYKVGSRKEVPGIRNYIAVDGGMSDNIRPALYDAHYDAVLAANPEKVAEETVA-IAGKCCESGDMLIWDLPLPKSNAGEVLAVFCTGAYGYAMASNYNRIPRPPVVFVENGVDKLIVARETYENLVQNDLSL |
2P3E Chain:A ((15-420)) | -------------DGELFIEGVSLKELAQTFGTPLYVYSSNFIKERFEAYRKAFPD----ALICYAVKANFNPHLVKLLGELGAGADIVSGGELYLAKKAGIPPERIVYAGVGKTEKELTDAVDSEILMFNVESRQELDVLNEIAGKLGKKARIAIRVNP----------------SKFGVDIREAQKEYEYASKLE---NLEIVGIHCHIGSQILDISPYREAVEKVVS-LYESLTQKGFDIKYLDIGGGLGIKYKPEDKEPAPQDLADLLKDLL--VK-------AKIILEPGRSIMGNAGILITQVQFLKD-KGSKHFIIVDAGMNDLIRPSIYNAYHHIIPVETKE-----VVADIVGPICETGDFLALDREIEEVQRGEYLAVLSAGAYGFAMSSHYNMRPRAAEVLVENGSVKLIRKRENYDYIVEPSLDI |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2P3E.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -257637 for 3304 contacts (-78.0/contact) +
2D Compatibility (PS) -41219 + (NN) -13384 + (LL) 3344
1D Compatibility (HY) -30400 + (ID) 7700
Total energy: -346996.0 ( -105.02 by residue)
QMean score : 0.539
|
|
|