| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: GLY_B_2(1YFT) / Model_3(1YFT/A) = [3.1]
| Download | 7144.76 | 22.98 | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |
| Complex: SER_B_2(1YGB) / Model_4(1YGB/A) = [3.5]
| Download | 6655.84 | 21.87 | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |
| Complex: ATP_B_10(1YFR) / Model_22(1YFR/B) = [5.3]
| Download | 1251.59 | -0.60 | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |
| Complex: G5A_A_3(3HY0) / Model_32(3HY0/A) = [5.7]
| Download | 522.95 | 3.08 | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |
| Complex: G5A_B_7(3HY0) / Model_24(3HY0/B) = [5.7]
| Download | 645.27 | 2.56 | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |
Consensus
[pKd Mean = 4.66] | - | 3244
(s=2999) | 9
(s=10) | MKKLKASEIRQKYLDFFVEKGHMVEPSAPLVPIDDDTLLWINSGVATLKKYFDGRETPKKPRIVNSQKAIRTNDIENVGFTARHHTFFEMLGNFSIGDYFKQEAIEFAWEFLTSDKWMGMEPDKLYVTIHPEDMEAYNIWHKDIGLEESRIIRIEGNFWDIGEGPSGPNTEIFYDRGEAYGQDDPAEEMYPGGENERYLEVWNLVFSEFNHNKDHSYTPLPNKNIDTGMGLERMASVSQNVRTNYETDLFMPIMNEIEKVSGKQYLVNNEQDVAFKVIADHIRTIAFAISDGALPANEGRGYVLRRLLRRAVRFSQTLGINEPFMYKLVDIVADIMEPYYPNVKEKADFIKRVIKSEEERFHETLEDGLAILNELIKKAKATTNEINGKDAFKLYDTYGFPIELTEEIAVQAGLKVDMTTFESEMQQQRDRARQARQNSQSMQVQSEVLKNITSASTFVGYDTATAQTTLTHLIYNGEEVSQVEAGETVYFMLTETPFYAVSGGQVADTGIVYNDNFEIAVSEVTKAPNGQNLHKGVVQFGQVNVGATVSAEVNQNDRRDIQKNHSATHLLHAALKSVLGDHVNQAGSLVEADRLRFDFSHFGPMTNDEIDQVERLVNEEIWKGIDVNIQEMDIASAKEMGAMALFGEKYGDVVRVVNMAPFSIELCGGIHVRNTSEIGLFKIVSESGTGAGVRRIEALTGKAAFLYLEDIQEKFNTMKSQMKVKSDDQVVEKLTQLQDEEKALLKQLEQRDKEITSLKMGNIEDQVEEINGYKVLVTEVDVPNAKAIRSTMDDFKSKLQDTIIILASNVDDKVSMVATVPKSLTNNVKAGDLIKQMAPIVGGKGGGRPDMAQGGGTQPENISKSLSFIKDYIKNL |