Binding Site Prediction
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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [pKd > 3] : 4 (5 maxi)

Complexes [Theoretical pKd]	File	Volume (A3) (FPocket)	Hydrophobicity Score(FPocket)	Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: NAD_A_2(1GR0) / Model_49(1GR0/A) = [9.2]	Download	1336.26	19.97	MSEHQSLPAPEASTEVRVAIVGVGNCASSLVQGVEYYYNADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYADTIELSDAEPVDVVQALKEAKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSPPEQLPDDIARAQLEEFIIG
Complex: NAD_A_2(1GR0) / Model_1(1GR0/A) = [10.8]	Download	1098.01	26.98	MSEHQSLPAPEASTEVRVAIVGVGNCASSLVQGVEYYYNADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYADTIELSDAEPVDVVQALKEAKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSPPEQLPDDIARAQLEEFIIG
Complex: NAD_A_2(1GR0) / Model_28(1GR0/A) = [10.8]	Download	1087.14	26.98	MSEHQSLPAPEASTEVRVAIVGVGNCASSLVQGVEYYYNADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYADTIELSDAEPVDVVQALKEAKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSPPEQLPDDIARAQLEEFIIG
Complex: NAD_A_2(1GR0) / Model_48(1GR0/A) = [10.8]	Download	1134.25	26.98	MSEHQSLPAPEASTEVRVAIVGVGNCASSLVQGVEYYYNADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYADTIELSDAEPVDVVQALKEAKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSPPEQLPDDIARAQLEEFIIG
Consensus [pKd Mean = 10.40]	-	1163 (s=101)	25 (s=3)	MSEHQSLPAPEASTEVRVAIVGVGNCASSLVQGVEYYYNADDTSTVPGLMHVRFGPYHVRDVKFVAAFDVDAKKVGFDLSDAIFASENNTIKIADVAPTNVIVQRGPTLDGIGKYYADTIELSDAEPVDVVQALKEAKVDVLVSYLPVGSEEADKFYAQCAIDAGVAFVNALPVFIASDPVWAKKFTDARVPIVGDDIKSQVGATITHRVLAKLFEDRGVQLDRTMQLNVGGNMDFLNMLERERLESKKISKTQAVTSNLKREFKTKDVHIGPSDHVGWLDDRKWAYVRLEGRAFGDVPLNLEYKLEVWDSPNSAGVIIDAVRAAKIAKDRGIGGPVIPASAYLMKSPPEQLPDDIARAQLEEFIIG