| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C2_S1 |
| Complex: 1SM_B_10(1T9C) / Model_24(1T9C/B) = [3.6]
| Download | 1228.18 | 46.92 | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |
| Complex: CIE_A_7(1N0H) / Model_1(1N0H/A) = [3.8]
| Download | 1412.86 | 57.33 | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |
| Complex: 1TB_B_11(1T9A) / Model_26(1T9A/B) = [3.9]
| Download | 1483.99 | 40.28 | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |
| Complex: CIE_B_11(1N0H) / Model_27(1N0H/B) = [3.9]
| Download | 1266.93 | 54.29 | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |
| Complex: 1CS_A_7(1T9B) / Model_3(1T9B/A) = [4.0]
| Download | 1360.20 | 44.38 | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |
Consensus
[pKd Mean = 3.84] | - | 1350
(s=93) | 48
(s=6) | MSKTQHEVNQNIDPLKMAESLELEQLNEKTLNDMRSGSEVLVEALLKENVDYLFGYPGGAVLPLYDTFYDGKIKHILARHEQGAVHAAEGYARVSGKTGVVVVTSGPGATNVMTGITDAHCDSLPLVVFTGQVATPGIGKDAFQEADILSMTSPITKQNYQVKRVEDIPKIVHEAFHVANSGRKGPVVIDFPKDMGVLATNVDLCDEINIPGYEVVTEPENKDIDTFISLLKEAKKPVVLAGAGINQSKSNQLLTQFVNKHQIPTVTTLLGLGAVPYEDTLFLGMGGMHGSYASNMALTECDLLINLGSRFDDRLASKPDAFAPNAKIVHVDIDPSEINKVIHVDLGIIADCKRFLECLNDKNVETIEHSDWVKHCQNNKQKHPFKLGEEDQVFCKPQQTIEYIGKITNGEAIVTTDVGQHQMWAAQFYPFKNHGQWVTSGGLGTMGFGIPSSIGAKLANPDKTVVCFVGDGGFQMTNQEMALLPEYGLDVKIVLINNGTLGMVKQWQDKFFNQRFSHSVFNGQPDFMKMAEAYGVKGFLIDKPEQLEEQLDAAFAYQGPVLIEVRISPTEAVTPMVPSGKSNHEMEGL |