Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALKNDRFLRALLKQPVDVTPVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLYFETGEGPRFRKVVSSLADIEALPVPDPE---QDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMR---KIVDGLIREHDGRRVPVILFTKGGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHELSAQYHG |
2Q71 Chain:A ((4-351)) | ---LKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRA-AQDFFSTCRSPEACCELTLQPLRRFP-LDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLR--DPEVVASELGYVFQAITLTRQRLAGRVPLIGFAGAPWTLMTYMVERGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAPVPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGKTVTLQGNLDPCALYASEEEIGQLVKQMLDDFGPHR-YIANLGHGLYPDMDPEHVGAFVDAVHKHS----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2Q71.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -236521 for 2990 contacts (-79.1/contact) +
2D Compatibility (PS) -37615 + (NN) -22085 + (LL) 696
1D Compatibility (HY) -32800 + (ID) 8700
Total energy: -337025.0 ( -112.72 by residue)
QMean score : 0.560
|
|
|