Study : T0703 (models@predictioncenter.org)


Main Binding Site Prediction:


Binding Site Prediction

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Binding Site Number :C2_S1
Best Complexes choosen after comparative docking [Kd < -3] : 5 (5 maxi)

Complexes [Theoretical Kd]FileVolume (A3)
(FPocket)		Hydrophobicity
Score(FPocket)		Contacts Ligand/Receptor [<4A] in Site C2_S1
Complex: SMX_A_3(3NY4) / Model_49(2QPN/A) = [-4.1] Download--MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP
Complex: SMX_A_3(3NY4) / Model_54(1O7E/A) = [-3.5] Download--MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP
Complex: SMX_A_3(3NY4) / Model_47(2J9O/A) = [-3.5] Download--MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP
Complex: CB4_A_9(1M40) / Model_47(2J9O/A) = [-3.1] Download--MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP
Complex: CEF_A_5(1IYO) / Model_54(1O7E/A) = [-3.1] Download--MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP
Consensus
[Kd Mean = -3.46]		-0
(s=0)		0
(s=0)		MEKLIVGKSLEHQLDTVIKELAPAGNISYAVLQFDDEEEPTLIAARGENTVHSSASLIKVLIMEYVFHLARTEQLDINDTVPLSRTPRVEGGGALQELVGKHSFTYLELCRLMMVLSDNIATNLLITVLGMENINARAEKLGVDEMELNRMMMDFNALAEGRDNHITAMSLARLYKHIFECRDRDVYGREMWNILGRQQFRDILPFYWGEGIRFHHKTGSLDRVEHDGGVIETFRGHFCFILLMSDIDNDRGKELGAQVGRIMKEFVEEALP