| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C3_S1 |
| Complex: NAD_B_5(1UWK) / Model_11(1UWK/B) = [12.5]
| Download | 967.34 | 19.98 | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |
| Complex: NAD_A_3(1UWK) / Model_40(1UWK/A) = [12.8]
| Download | 919.51 | 19.98 | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |
| Complex: NAD_A_3(1UWK) / Model_2(1UWK/A) = [12.8]
| Download | 963.42 | 19.98 | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |
| Complex: NAD_A_3(1UWK) / Model_19(1UWK/A) = [12.8]
| Download | 951.11 | 19.98 | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |
| Complex: NAD_B_4(1UWL) / Model_10(1UWL/B) = [13.8]
| Download | 996.63 | 22.07 | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |
Consensus
[pKd Mean = 12.94] | - | 959
(s=25) | 20
(s=0) | MTTPSKFRDIEIRAPRGTTLTAKSWLTEAPLRMLMNNLDPEVAENPRELVVYGGIGRAARNWECYDRIVETLKQLNDDETLLVQSGKPVGVFKTHANAPRVLIANSNLVPHWATWEHFNELDAKGLAMYGQMTAGSWIYIGSQGIVQGTYETFVEAGRQHYDGNLKGRWVLTAGLGGMGGAQPLAATLAGACSLNIECQQSRIDFRLRSRYVDEQAKDLDDALARIQRYTAEGKAISIALLGNAAEILPELVRRGVRPDMVTDQTSAHDPLNGYLPAGWSWEEYRDRAQTDPAAVVKAAKQSMAVHVRAMLAFQQQGVPTFDYGNNIRQMAKEEGVANAFDFPGFVPAYIRPLFCRGIGPFRWAALSGDPQDIYKTDAKVKQLIPDDAHLHRWLDMARERISFQGLPARICWVGLGLRAKLGLAFNEMVRTGELSAPIVIGRDHLDSGSVASPNRETEAMQDGSDAVSDWPLLNALLNTASGATWVSLHHGGGVGMGFSQHSGMVIVCDGSDEAAERIARVLTNDPGTGVMRHADAGYQVAIDCAKEQGLNLPMITAQR |