| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: GLY_B_2(1YFT) / Model_4(1YFT/A) = [3.1]
| Download | 8367.86 | 23.97 | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |
| Complex: SER_B_2(1YGB) / Model_5(1YGB/A) = [3.4]
| Download | 5129.27 | 27.40 | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |
| Complex: ALA_D_4(1YFS) / Model_21(1YFS/B) = [3.8]
| Download | 8236.86 | 23.04 | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |
| Complex: ATP_B_10(1YFR) / Model_22(1YFR/B) = [5.3]
| Download | 1468.34 | -6.08 | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |
| Complex: G5A_B_7(3HY0) / Model_24(3HY0/B) = [5.7]
| Download | 575.34 | -2.04 | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |
Consensus
[pKd Mean = 4.26] | - | 4755
(s=3273) | 13
(s=14) | MKQLSSAEVRQLFLDFFKEKGHTIEPSAPLVPNNDPTILWINSGVATMKKYFDGSVIPDNPRMANAQKSIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEGAIVFAWEFLTSPKWIGFDPDKLYVTVYPEDEEAKTLWREKIGLSDDHIVEIEDNFWDIGIGPSGPDSEIFYDRGPAFGDDASDPELYPGGENERYLEIWNLVFSQFNHNPDGTYTPLPKQNIDTGMGLERMVSIIQDAPTNFETDLFMPIIREVEQIAGVKYGHSQENDVAFKVIADHIRTVAFAIGDGALPSNEGRGYILRRLLRRAVRYAKVLTINEPFMYKLVPVVGKIMNSFYPEVENQTDFIQKVIRTEEERFHETLNEGLAILETILKTAKETNEQVIKGADIFKLYDTFGFPVELTEEYAEDHGLKVDHAGFEAEMKEQRARARAARADVKSMQVQGELLANLTEKSAFVGYNSTEHVSEILYLIQNDTLVDEVAAGNEAQVIFKETPFYAESGGQVADKGTIESETGLAYVEDVQKAPNKQNLHRISVKEGVLKTGDTVKLAVDKVKRRETIKNHTATHLLHRALKDTLGEHVNQAGSLVSPDRLRFDFSHFGQITEEELTKMEEIVNEKIWEQINVVIEEMPIAEAKELGAMALFGEKYGDIVRVVQVGKYSIELCGGVHVRNTADIGLFKIVSETGIGAGTRRIEAVTGKEAYRFVTEQENTLKQAASLLKTTTKETPQKVELLQADLREVKRENESLLSKLASAASADIFESPEEIGGVKVIAKQVNAKDMNQLRQFVDNWKDKKIGGILVLGAVQGDKVNLISAVSEEAIKAGYHAGKLLKEVATRCGGNGGGRPDMAQAGGKNPAELGTALDYVSTWVKEQQA |