| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C6_S1 |
| Complex: ATP_B_6(2ZHZ) / Model_26(2ZHZ/B) = [3.8]
| Download | 1839.30 | 16.37 | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |
| Complex: B12_A_4(3CI1) / Model_7(3CI1/A) = [3.9]
| Download | 2547.77 | 27.46 | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |
| Complex: CBY_A_5(3CI4) / Model_9(3CI4/A) = [3.9]
| Download | 2622.26 | 26.36 | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |
| Complex: ATP_A_4(3KE5) / Model_2(3KE5/A) = [4.1]
| Download | 1579.11 | 21.24 | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |
| Complex: ATP_A_7(2R6T) / Model_10(2R6T/A) = [4.3]
| Download | 1560.10 | 24.60 | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |
Consensus
[pKd Mean = 4.00] | - | 2029
(s=464) | 23
(s=4) | VSIYTKTGDKGTTALFDGNRVKKYDDRVETYGSFDELNAEISVAEKFVTSAENKSLLRNVERQLFYVCAELATEHEASLASKIIITENDINQLEKVIDDYTAKLPKVDSFVLPGSSTAGAFLHSARTVARRGERLLVRLSEQTDIRKELLKFVNRLSDFLYILAREEDFRQMLDKATKLIVAKYLEQTGQEKSVTSDLSFSFCEKLMHQVCIVSEEIGVPVTLAIVDAHGNARFNYRMEHALLVSAELATKKAYSAVAMKTSTEKLTEAVQPGAPLYQLETLTNGDIVTFGGGVPIYGKDGAIIGGMGISGGSVEEDIHIAKKALSMIEKG |