| Complexes [Theoretical pKd] | File | Volume (A3)
(FPocket) | Hydrophobicity
Score(FPocket) | Contacts Ligand/Receptor [<4A] in Site C4_S1 |
| Complex: GOL_A_4(3BEC) / Model_6(3BEC/A) = [3.1]
| Download | 152.01 | 18.09 | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
| Complex: IM2_A_2(3MZF) / Model_9(3MZF/A) = [3.1]
| Download | 984.21 | 3.74 | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
| Complex: IM2_A_2(3MZF) / Model_31(3MZF/A) = [3.2]
| Download | 864.05 | 3.25 | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
| Complex: CIT_A_3(3MFD) / Model_18(3MFD/A) = [3.2]
| Download | 869.88 | 10.00 | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
| Complex: HJ2_A_3(3BEC) / Model_6(3BEC/A) = [3.6]
| Download | 540.02 | 8.06 | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |
Consensus
[pKd Mean = 3.24] | - | 682
(s=303) | 8
(s=5) | MNITTIAKRLSLLVLFIAPTAGWAAESMVPAPPQLAAKSYVLMDGESGQVLVENNGDQRLPPASLTKLMTAYIATKEIEAGRIGENDLVTVSEHAWRTGGSRMFIKVGSQVSVSDLLHGIIIQSGNDASVALAEHIAGSEDAFADMMNTTAQKLGLTNSHFMDATGLPNPDHYSSARDMAVLARAIIYGEPSHYAIYAQKEFLWNNIKQPNRNLLLWRDKTVDGLKTGHTDEAGYCLVASAVRDGQRMIAVVFGTNSEQARAAETQKLLTYGFRFFESRNFYKKGTELTKGLVWKGSEHEVKAGLAEDLTMTLPRGQMQKLQASMVLEPQLMAPIQQGQVIGKVEVKLDDKVIRSADLVALNAVEEGGFFRRLWDSIRLFFYGLFN |