Modeling by threading (Tito software) Unconserved sides chains calculation (Scwrl software) Evaluation (QMean software)
Input alignment information:
Query sequence | MKFEKRQVYYVVITFAICYAIQAYWGAVSNILTTLHKAIFPFLMGAGIAYIINIVMSVYERLYIKLFKGSRLLMAIKRSVSMILSYATFIGLIVWLFSIVIPD---LISSLSSLLVIDTGALAKLVNNLNENKQISEALNYMGTDKDLVSTLSGYSQQILKQVLSVLTNLLTSVSSIAATLLNVFVSFIFSIYVLANKEQLGRQFNLLIDTYLGSTGKTFHYVRHILHQRFHGFFVSQTLEAMILGSLTVIGMLIFQFPYALTVGVLVAFTALIPVVGAYIGVTIGFILIATESLTEAFLFVLFLILLQQFEGNVIYPKVVGGSIGLPSMWVLTAITIGGALWG-ILGMLLAVPVAATIYQIVKDHIIKRQTLRNRARTYR- |
3WPA Chain:A ((65-410)) | NVAQGNQTN-------VGDALTALDNAINTAATTSKSTV-----SNGQNIVVSKSKNADGSDNYEVSTAKDLTVDSVKAGDTVLNNA---GITIGNNAVVLNNTGLTISGGPSVTLAGIDAGNKTIQNVANAVNATDAVN-KGQLDSAINNVNNNVNELANNAVKYDDASKDKITLGGGATGTTITNVKDGTVAQGSKDAVNGGQLWNVQQQVDQNTTDISNIKNDINNGTVGLVQQAGKDAPVTVAKDTGGTTV---NVAGTDGNRVVTGVKEGAVNAT----------SKDAVNGSQLNTTNQAVVNYLGGGAGYDNI-TGSFTAPS------YTVGDSKYNNVGGAIDALNQADQALNSKIDNVSNKLDNAFRITNNRI |
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General information:
TITO was launched using:
| RESULT:
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Template: 3WPA.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
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3D Compatibility (PKB) -129057 for 1577 contacts (-81.8/contact) +
2D Compatibility (PS) -34873 + (NN) 7424 + (LL) 4524
1D Compatibility (HY) 13600 + (ID) 2300
Total energy: -140682.0 ( -89.21 by residue)
QMean score : -0.060
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