| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
| Complex: GLY_B_2(1YFT) / Model_4(1YFT/A) = [3.1]
| Download | 11726.60 | 20.87 | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |
| Complex: SER_B_2(1YGB) / Model_5(1YGB/A) = [3.5]
| Download | 5534.12 | 21.99 | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |
| Complex: ATP_A_9(1YFR) / Model_2(1YFR/A) = [4.1]
| Download | 1233.03 | 1.07 | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |
| Complex: ATP_B_10(1YFR) / Model_22(1YFR/B) = [5.3]
| Download | 1238.66 | -0.60 | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |
| Complex: G5A_B_7(3HY0) / Model_24(3HY0/B) = [5.7]
| Download | 597.97 | 2.56 | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |
Consensus
[pKd Mean = 4.34] | - | 4066
(s=4216) | 9
(s=10) | MKHLTSAEVRQMFLDFFKEKGHAVEPSASLVPHEDPSLLWINSGVATLKKYFDGRVVPENPRIVNAQKAIRTNDIENVGKTARHHTFFEMLGNFSIGDYFKEEAITWAWEFLTSDKWIGFDKELLSVTVHPEDEEAYEFWAKKIGIPEERIIRLEGNFWDIGEGPSGPNTEIFYDRGEAYGNDPEDPELYPGGENDRYLEVWNLVFSEFNHNPDGTYTPLPKKNIDTGMGLERMVSVIQNVPTNFDTDLFVPIIKATESISGETYGKDNVKDTAFKVIADHIRTVAFAVSDGALPSNEGRGYVLRRLLRRAVRYAKTINIHRPFMFDLVPVVAEIMADFYPEVKEKADFIAKVIKTEEERFHETLNEGLAILSEMIKKEKDKGSSVISGADVFKLYDTYGFPVELTEEYAEDENMTVDHEGFEEEMNQQRERARNARQDVGSMQVQGGALRDVTVESTFVGYSQTKADANIIVLLQDGQLIEEAHEGESVQIILDETPFYAESGGQIGDKGYLRSEQAVVRIKDVQKAPNGQHVHEGVVESGTVQKGLHVTAEVEDHMRSGVIKNHTATHLLHQALKDVLGTHVNQAGSLVTENRLRFDFSHFGQVTKEELEQIERIVNEKIWASIPVSIDLKPIAEAKEMGAMALFGEKYGDIVRVVQVGDYSLELCGGCHVRNTAEIGLFKIVSESGIGAGTRRIEAVTGQGAYVEMNSQISVLKQTADELKTNIKEVPKRVAALQAELKDAQRENESLLAKLGNVEAGAILSKVKEVDGVNVLAAKVNAKDMNHLRTMVDELKAKLGSAVIVLGAVQNDKVNISAGVTKDLIEKGLHAGKLVKQAAEVCGGGGGGRPDMAQAGGKQPEKLEEALASVEDWVKSVL |