Study : T0749 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C3_S1
Best Complexes choosen after comparative docking [Kd < -3] : 2 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C3_S1
Complex: SUGAR_B_2(1KWF) / Model_11(1KWF/A) = [-4.2] Download--MFKIGIMKNIFLFFLFLGVCSCSVNAINPPSGVTEKQLSDDELMTLVQKQTFRYFWDFAHPESGLAHERSNGGAETATIGGSGFGVMAIIVGIERGFVTREQGAERMLKIVRFLSDKNTDSYHGMWAHWMNGKTGKTIPFSRKDDGADIVESAFMFEGLLAAHQYFTKDNPTENRIRGIINNLWRQAEWNFFTQGQDVMYWHWSPNNGWAMNHQIKGHNECHIVYILGASSPTYPIAESVYHKGWANANTFLNGREYYGIKLPLGNNHGKGGPLFFTHYSYMGLDPRGLKDRYADYEEQMKAHTLINRAYCIDNPKGYKGYGEKCWGLTASDGDKGYSAHSPGNDRGVITPTAALSSIPYAPEYSLEAMRYFYEELGDRLWGEYGFKDAFNLTENWFAPSYLAIDQGPIIVMIENYRTGLIWKLFMSHPDVQKGLRRLGFTSPYLNKVD
Complex: SUGAR_C_3(1KWF) / Model_11(1KWF/A) = [-3.5] Download--MFKIGIMKNIFLFFLFLGVCSCSVNAINPPSGVTEKQLSDDELMTLVQKQTFRYFWDFAHPESGLAHERSNGGAETATIGGSGFGVMAIIVGIERGFVTREQGAERMLKIVRFLSDKNTDSYHGMWAHWMNGKTGKTIPFSRKDDGADIVESAFMFEGLLAAHQYFTKDNPTENRIRGIINNLWRQAEWNFFTQGQDVMYWHWSPNNGWAMNHQIKGHNECHIVYILGASSPTYPIAESVYHKGWANANTFLNGREYYGIKLPLGNNHGKGGPLFFTHYSYMGLDPRGLKDRYADYEEQMKAHTLINRAYCIDNPKGYKGYGEKCWGLTASDGDKGYSAHSPGNDRGVITPTAALSSIPYAPEYSLEAMRYFYEELGDRLWGEYGFKDAFNLTENWFAPSYLAIDQGPIIVMIENYRTGLIWKLFMSHPDVQKGLRRLGFTSPYLNKVD
Consensus
[Kd Mean = -3.85]		-0
(s=0)		0
(s=0)		MFKIGIMKNIFLFFLFLGVCSCSVNAINPPSGVTEKQLSDDELMTLVQKQTFRYFWDFAHPESGLAHERSNGGAETATIGGSGFGVMAIIVGIERGFVTREQGAERMLKIVRFLSDKNTDSYHGMWAHWMNGKTGKTIPFSRKDDGADIVESAFMFEGLLAAHQYFTKDNPTENRIRGIINNLWRQAEWNFFTQGQDVMYWHWSPNNGWAMNHQIKGHNECHIVYILGASSPTYPIAESVYHKGWANANTFLNGREYYGIKLPLGNNHGKGGPLFFTHYSYMGLDPRGLKDRYADYEEQMKAHTLINRAYCIDNPKGYKGYGEKCWGLTASDGDKGYSAHSPGNDRGVITPTAALSSIPYAPEYSLEAMRYFYEELGDRLWGEYGFKDAFNLTENWFAPSYLAIDQGPIIVMIENYRTGLIWKLFMSHPDVQKGLRRLGFTSPYLNKVD