Complexes [Theoretical pKd] | File | Volume (A3) (FPocket) | Hydrophobicity Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C1_S1 |
Complex: THR_B_5(1EVK) / Model_38(1EVK/B) = [3.2]
| Download | 6238.73 | 25.00 | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |
Complex: 1B2_A_4(4HWT) / Model_14(4HWT/A) = [3.8]
| Download | 1106.43 | 20.23 | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |
Complex: 1B2_A_4(4HWT) / Model_65(4HWT/A) = [3.8]
| Download | 779.46 | 20.23 | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |
Complex: X16_A_4(4HWP) / Model_5(4HWP/A) = [4.6]
| Download | 960.11 | 21.57 | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |
Complex: TSB_A_3(3UH0) / Model_62(3UH0/A) = [4.6]
| Download | 767.95 | 16.32 | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |
Consensus [pKd Mean = 4.00] | - | 1970 (s=2137) | 20 (s=2) | MSDMVKITFPDGAVKEFAKGTTTEDIAASISPGLKKKSLAGKLNGKEIDLRTPINEDGTVEIITEGSEEGLQIMRHSAAHLLAQAIKRIYKDVKFGVGPVIENGFYYDVEMDEAITPEDLPKIEKEMKKIVNANLPIVRKEVSREEAKARFAEIGDDLKLELLDAIPEGETVSIYEQGEFFDLCRGVHVPSTGKIKEFKLLSLAGAYWRGDSKNQMLQRVYGTAFFKKADLEEHLRMLEEAKERDHRKLGKELKLFANSQKVGQGLPLWLPKGATIRRVIERYIVDKEISLGYEHVYTPVLGSKELYETSGHWDHYQEGMFPPMEMDNETLVLRPMNCPHHMMIYKQDIHSYRELPIRIAELGTMHRYEMSGALSGLQRVRGMTLNDAHIFVRPDQIKDEFIRTVRLIQDVYEDFGLSDYTFRLSYRDPEDTEKYFDDDEMWNKAQSMLKEAMDEIGHDYYEAEGEAAFYGPKLDVQVKTAIGKEETLSTVQLDFLLPERFDLTYIGEDGKQHRPVVIHRGVVSTMERFVAFLIEEHKGALPTWLAPVQFQVIPVSPAVHLDYAKKVQERLQCEGLRVEVDSRDEKIGYKIREAQMQKIPYMLVVGDQEAENGAVNVRKYGEQNSETISLDEFVKKAVAEAKK |