Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MTALKNDRFLRALLKQPVDVTPVWMMRQAGRYLPEYRATRAKAGDFMSLCMNPELACEVTLQPLDRYPQLDAAILFSDILTIPDAMGQGLYFETGEGPRFRKVVSSLADIEALPVPDPE---QDLGYVMDAVRTIRRELNGRVPLIGFSGSPWTLATYMVEGGSSKDFRKSKAMLYDNPKAMHALLDKLAQSVTSYLNGQIHAGAQAVQIFDSWGGSLSAAAYQEFSLAYMR---KIVDGLIREHDGRRVPVILFTKGGGLWLESMAEVGAEALGLDWTCDIGSARARVGERVALQGNMDPSVLYANPAAIRAEVARILAAYGKGTGHVFNLGHGITPEVDPAHAGAFFEAVHELSAQYHG |
3GW0 Chain:A ((14-361)) | ---LKNDTFLRAAWGEETDYTPVWCMRQAGRYLPEFRETRA-AQDFFSTCRSPEACCELTLQPLRRFP-LDAAIIFSDILVVPQALGMEVTMVPGKGPSFPEPLREEQDLERLR--DPEVVASELGYVFQAITLTRQRLAGRVPLIGFAGAPWTLMTYMVEGGGSSTMAQAKRWLYQRPQASHQLLRILTDALVPYLVGQVVAGAQALQLFESHAGHLGPQLFNKFALPYIRDVAKQVKARLREAGLAPVPMIIFAKDGHFALEELAQAGYEVVGLDWTVAPKKARECVGKTVTLQGNLDPCALYASEEEIRQLVKQMLDDFGPHR-YIANLGHGLYPDMDPEHVGAFVDAVHKHS----- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 3GW0.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -235582 for 3016 contacts (-78.1/contact) +
2D Compatibility (PS) -37444 + (NN) -19841 + (LL) 696
1D Compatibility (HY) -32800 + (ID) 8800
Total energy: -333771.0 ( -110.67 by residue)
QMean score : 0.553
|
|
|