| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: CIT_A_5(2FUS) / Model_11(2FUS/A) = [3.5]
| Download | 596.42 | 25.29 | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |
| Complex: CIT_I_9(1KQ7) / Model_9(1KQ7/A) = [3.5]
| Download | 569.18 | 38.24 | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |
| Complex: CIT_B_11(1FUO) / Model_26(1FUO/B) = [3.6]
| Download | 671.64 | 30.20 | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |
| Complex: CIT_A_9(1FUO) / Model_7(1FUO/A) = [3.6]
| Download | 587.83 | 34.56 | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |
| Complex: CIT_A_4(1FUQ) / Model_6(1FUQ/A) = [3.6]
| Download | 509.79 | 34.56 | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |
Consensus
[pKd Mean = 3.56] | - | 586
(s=52) | 32
(s=4) | MDKKTRIESDSLGEVKVPSEHYWGAQTQRSLENFKIGMEKMPEPIIKALAMVKLAAARVNVKHGTIDEKVGNAICVAAKEIIDGKFNNEFPLVVWQTGSGTQTNMNINEVISNRAIEILGSNLGSKFPVHPNDHVNYGQSSNDTFPTAMHIAAAKQINHSLIPNLEVLHKALNDKVQEFKNIIKVGRTHLQDATPLTLGQEFSGYAVQIKKGIERIKSTLSNLYELAQGGTAVGTGLNTKEGFAEDFAKEVAEITNLPFTSADNKFEALAANDALVELSGTLNTVAVSLMKIASDIRLLGSGPRCGIGEITLPENEPGSSIMPGKVNPTQCEAVTMVCAQVMGNHVAVTVSGSNGHFELNVFKPVIIYNVLQSIRLLADASLNFTEKCVIGIKANEKRIKDLLNQSLMLVTILNTHIGYDNAAKIAKLAYKENITLKEAAVKLKLLTEQEFERIVKPEKFINH |