Modeling by threading (Tito software)
Unconserved sides chains calculation (Scwrl software)
Evaluation (QMean software)
Input alignment information:
| Query sequence | MNEEILREVADIFIGDDRDSIYDYKTGNELVRFFNHYFNKGDIYQAPFPSRWLYVVKHLQTLIQERKINQFFTLILSNHYIKYELKIDEVEAAKQAAKALKLFNKRLNHYGYYITGTNNARYFMDKDEDTESIGYGGYANIY--LQKSTGLAVKKLKEEYLTDSSIKSRFKREFDLTKSFDTNPLFINVFEF--NESDYSYTMELADETLKDYIESKTIS---ELEKVKII-MKILKAMSQAHSENKIHRDISSKNVLM-FRGKVKISDLGLGKNLDEIHSHQTFDTNGVGQYKYCAPEQMYSLKQADKQSDVFSLGRLINFIMTGNVVNNHHLFRGVSDKATNSSKEYRFEDANEMLKMLQRILEYHSSAKHVEKCQEKLKRGVFDDESEEFIMTRSDEQLCQMVLSSNNNEQACLIRYMQKNESSACDLIESINRKYQEFCGRFEDYDPFAKLAYMILCNNFSYRVNETAARVLNYVAWSVNRFSAQDLIKGLINRGVEPLIEEKLKDN |
| 2PK9 Chain:A ((11-215)) | ----------------------------------------------------------------------------------------------------------------------------------EKLGNGTYATVYKGLNKTTGVYVA-LKEVKLSEEGTPSTAIREISLMKELKHENI-VRLYDVIH--NKLTLVFEFMDNDLKKYMDSRT--RGLELNLVKYFQWQLLQGLAFCHENKILHRDLKPQNLLINKRGQLKLGDFGLARAFGI--PVNTFSSEVVTLW-YRAPDVLMGSRTYSTSIDIWSCGCILAEMITGKP-----LFPGTNDE-------------------------------------------------------------------------------------------------------------------------------------------------------------------------- |
|
General information:
TITO was launched using:
| RESULT:
|
Template: 2PK9.pdb
Alignment : align.pir
Tito was launched with SMD and SCWRL
Tito text output
|
3D Compatibility (PKB) -25281 for 1337 contacts (-18.9/contact) +
2D Compatibility (PS) -19611 + (NN) -3816 + (LL) 23548
1D Compatibility (HY) -18800 + (ID) 2950
Total energy: -46910.0 ( -35.09 by residue)
QMean score : 0.360
|
|
|