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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Distribution of Cavity similarities measured by Shaper
You can zoom onto the graph by using the mouse to make a selection

Cavities are compared using Shaper.
For more information, please see the following publication: Desaphy J. et al. Comparison and Druggability Prediction of protein-Ligand Binding sites from pharmacophore-annotated cavity shapes J. Chem. Inf. Model., 2012, 52(8), pp2287-2299

Reference Protein Data Bank Entry :
PDB ID HET Uniprot Name EC Number
1a940Q4Gag-Pol polyprotein3.4.23.16

Complex with similar cavities

PDB ID HET Uniprot Name EC Number Cavity
Similarity
Align
1a940Q4Gag-Pol polyprotein3.4.23.161.000
3ggxGGXGag-Pol polyprotein/0.579
3kfn3TLGag-Pol polyprotein/0.556
2a4fAAUV-1 protease/0.554
3oxxDR7Gag-Pol polyprotein3.4.23.160.546
1hxwRITGag-Pol polyprotein/0.544
2bpy3INGag-Pol polyprotein3.4.23.160.542
1ebzBECGag-Pol polyprotein3.4.23.160.541
1ec2BEJGag-Pol polyprotein3.4.23.160.541
3s54017Protease/0.539
4dqc017Gag-Pol polyprotein/0.539
1ec3MS3Gag-Pol polyprotein3.4.23.160.538
1b6mPI6Gag-Pol polyprotein3.4.23.160.537
1izhQ50Protease/0.537
2qi5MZ7Gag-Pol polyprotein/0.535
1k1u0Q4Gag-Pol polyprotein3.4.23.160.533
3ndtROCGag-Pol polyprotein3.4.23.160.533
2qhcAB1Protease/0.532
1hshMK1Gag-Pol polyprotein/0.531
3k4vROCGag-Pol polyprotein3.4.23.160.531
3bxsDRSGag-Pol polyprotein3.4.23.160.530
3ggaGGWGag-Pol polyprotein/0.530
3qbfJHGGag-Pol polyprotein3.4.23.160.530
1hihC20Gag-Pol polyprotein/0.529
1zsr0ZTGag-Pol polyprotein3.4.23.160.529
2bqvA1AProtease/0.529
3kfs3TLGag-Pol polyprotein/0.529
2hs2017Protease/0.528
2wkz5AHGag-Pol polyprotein/0.528
3zptM8YGag-Pol polyprotein3.4.23.160.527
1z1hHBBGag-Pol polyprotein3.4.23.160.526
2qnnQN1Gag-Pol polyprotein3.4.23.160.526
3ekqROCGag-Pol polyprotein3.4.23.160.526
1wbk568Pol protein/0.525
2uy0HV1Gag-Pol polyprotein3.4.23.160.525
1w5vBE3Gag-Pol polyprotein3.4.23.160.524
2pk6O33V-1 protease/0.524
3kf03TLGag-Pol polyprotein/0.524
2avm2NCGag-Pol polyprotein3.4.23.160.523
3sa9A68Protease/0.523
1w5xBE5Gag-Pol polyprotein3.4.23.160.522
2nmyROCProtease/0.522
2xyeCXGGag-Pol polyprotein/0.522
3tl9ROCGag-Pol polyprotein3.4.23.160.522
1sbgIM1Gag-Pol polyprotein/0.521
1zsf0ZSGag-Pol polyprotein3.4.23.160.521
2aoe0Q4Gag-Pol polyprotein3.4.23.160.521
3d1yROCGag-Pol polyprotein3.4.23.160.521
3kfr3TLGag-Pol polyprotein/0.521
3ndxRITGag-Pol polyprotein3.4.23.160.521
3nyg2NCGag-Pol polyprotein3.4.23.160.521
2aquDR7Gag-Pol polyprotein3.4.23.160.520
3ndwRITGag-Pol polyprotein3.4.23.160.520
3vf5031Gag-Pol polyprotein3.4.23.160.520
1b6pPI7Gag-Pol polyprotein3.4.23.160.519
2qd8065Gag-Pol polyprotein3.4.23.160.519
2r5q1UNGag-Pol polyprotein/0.519
1b6kPI5Gag-Pol polyprotein3.4.23.160.518
1d4yTPVGag-Pol polyprotein3.4.23.160.518
2p3b3TLV-1 PROTEASE protein/0.518
2p3b3TLV-1 protease/0.518
3el51UNGag-Pol polyprotein/0.518
3i2l2NCProtease/0.518
1ec0BEDGag-Pol polyprotein3.4.23.160.517
1hxbROCGag-Pol polyprotein3.4.23.160.517
3nuj478Gag-Pol polyprotein3.4.23.160.517
3qn8NI7Gag-Pol polyprotein3.4.23.160.517
3s85LK0Gag-Pol polyprotein/0.517
1bdrIM1Gag-Pol polyprotein3.4.23.160.516
1ivp1ZKGag-Pol polyprotein/0.516
1w5yBE6Gag-Pol polyprotein3.4.23.160.516
2bpz3INGag-Pol polyprotein3.4.23.160.516
3nu9478Gag-Pol polyprotein3.4.23.160.516
1xl5190Gag-Pol polyprotein3.4.23.160.515
2pk5075Protease/0.515
2z4o065Gag-Pol polyprotein3.4.23.160.515
3ekv478Gag-Pol polyprotein3.4.23.160.515
1d4kPI8Gag-Pol polyprotein3.4.23.160.514
3el1DR7Gag-Pol polyprotein3.4.23.160.514
3ttp017Gag-Pol polyprotein3.4.23.160.514
1ebwBEIGag-Pol polyprotein3.4.23.160.513
1hvlA76Gag-Pol polyprotein/0.513
1z1rHBHGag-Pol polyprotein3.4.23.160.513
3d1xROCGag-Pol polyprotein3.4.23.160.513
4ye3G04Gag-Pol polyprotein3.4.23.160.513
1a8g2Z4Gag-Pol polyprotein3.4.23.160.512
1sdtMK1Gag-Pol polyprotein3.4.23.160.512
1tcxIM1Gag-Pol polyprotein3.4.23.160.512
2ieo017Protease/0.512
2r5pMK1Gag-Pol polyprotein/0.512
3ekx1UNGag-Pol polyprotein3.4.23.160.512
1d4lPI9Gag-Pol polyprotein3.4.23.160.511
1k2b0Q4Gag-Pol polyprotein3.4.23.160.511
1mtrPI6Gag-Pol polyprotein3.4.23.160.511
1wbmBLLPol protein/0.511
3nduROCGag-Pol polyprotein3.4.23.160.511
3nu5478Gag-Pol polyprotein3.4.23.160.511
3oxcROCProtease/0.511
1difA85Gag-Pol polyprotein/0.510
1ec1BEEGag-Pol polyprotein3.4.23.160.510
1hvsA77Gag-Pol polyprotein/0.510
2b7zMK1Gag-Pol polyprotein/0.510
2bpv1INGag-Pol polyprotein3.4.23.160.510
2pqzG0GGag-Pol polyprotein3.4.23.160.510
2xyfG40Gag-Pol polyprotein/0.510
1daz0Q4Gag-Pol polyprotein3.4.23.160.509
1dw60Q4Gag-Pol polyprotein3.4.23.160.509
1npa3NHGag-Pol polyprotein3.4.23.160.509
1npwLGZGag-Pol polyprotein3.4.23.160.509
1sduMK1Gag-Pol polyprotein3.4.23.160.509
3sa755AProtease/0.509
3tog079Gag-Pol polyprotein2.7.7.490.509
3zpsEQMGag-Pol polyprotein3.4.23.160.509
2avvMK1Gag-Pol polyprotein3.4.23.160.508
2q54MU1Protease/0.508
2qi3MZ5Gag-Pol polyprotein/0.508
3ok9G52Gag-Pol polyprotein3.4.23.160.508
1jld0PPGag-Pol polyprotein/0.507
2f80017Gag-Pol polyprotein3.4.23.160.507
2qak1UNGag-Pol polyprotein3.4.23.160.507
2qi0MZ3Gag-Pol polyprotein/0.507
3a2oKNJGag-Pol polyprotein3.4.23.160.507
3ekyDR7Gag-Pol polyprotein3.4.23.160.507
3kdcJZPGag-Pol polyprotein3.4.23.160.507
3qrmNK7Gag-Pol polyprotein3.4.23.160.507
3sa5A69Protease/0.507
1fg80Q4Gag-Pol polyprotein3.4.23.160.506
1iiq0ZRGag-Pol polyprotein3.4.23.160.506
1iziQ50Gag-Pol polyprotein3.4.23.160.506
1m0b0ZQGag-Pol polyprotein3.4.23.160.506
2qi4MZ6Gag-Pol polyprotein/0.506
3cyxROCGag-Pol polyprotein3.4.23.160.506
3mws017Pol protein/0.506
3s43478Protease/0.506
3zpuM8BGag-Pol polyprotein3.4.23.160.506
1ohr1UNV-1 PROTEASE protein/0.505
1a8k0Q4Gag-Pol polyprotein3.4.23.160.504
1ebyBEBGag-Pol polyprotein3.4.23.160.504
1hsgMK1Gag-Pol polyprotein/0.504
2avsMK1Gag-Pol polyprotein3.4.23.160.504
2wl05AHGag-Pol polyprotein/0.504
3nu4478Gag-Pol polyprotein3.4.23.160.504
4qgiROCGag-Pol polyprotein3.4.23.160.504
2bpxMK1Gag-Pol polyprotein3.4.23.160.503
2i4wKGQProtease/0.503
2q641UNGag-Pol polyprotein3.4.23.160.503
2qd6065Gag-Pol polyprotein3.4.23.160.503
1sdvMK1Gag-Pol polyprotein3.4.23.160.502
2bb9AKCGag-Pol polyprotein3.4.23.160.502
2f8g017Gag-Pol polyprotein3.4.23.160.502
3aidARQGag-Pol polyprotein3.4.23.160.502
3vf7031Gag-Pol polyprotein3.4.23.160.502
3vfb031Gag-Pol polyprotein3.4.23.160.502
1hvjA78Gag-Pol polyprotein/0.501
1hvkA79Gag-Pol polyprotein/0.501
1rl8RITGag-Pol polyprotein3.4.23.160.501
2cen4AHProtease/0.501
2nnkROCProtease/0.501
4kb9G79Protease/0.500
2fdd385Pol protein/0.499
2hb3GRLProtease/0.499
3dk1G05Gag-Pol polyprotein3.4.23.160.499
3jw2017Gag-Pol polyprotein3.4.23.160.499
3nls016Gag-Pol polyprotein3.4.23.160.499
3sabF78Protease/0.499
4dqf017Gag-Pol polyprotein/0.499
4hdfG52Gag-Pol polyprotein3.4.23.160.499
1ajxAH1Gag-Pol polyprotein3.4.23.160.498
1hiv1ZKGag-Pol polyprotein/0.498
2qhyMZ1Gag-Pol polyprotein/0.498
2rkfAB1Pol protein/0.498
2z54AB1Gag-Pol polyprotein3.4.23.160.498
3el4ROCGag-Pol polyprotein3.4.23.160.498
3o99K13Pol polyprotein/0.498
1d4sTPVGag-Pol polyprotein3.4.23.160.497
2cej1AHPol protein/0.497
2o4pTPVProtease/0.497
2pym1UNGag-Pol polyprotein3.4.23.160.497
2qci065Gag-Pol polyprotein3.4.23.160.497
2qi6MZ8Gag-Pol polyprotein/0.497
2qnpQN2Gag-Pol polyprotein3.4.23.160.497
1fgc2NCGag-Pol polyprotein3.4.23.160.496
1hviA77Protease/0.496
2q5kAB1Protease/0.496
2r43G3GGag-Pol polyprotein3.4.23.160.496
3kddJZQGag-Pol polyprotein3.4.23.160.496
3qaaG04Gag-Pol polyprotein3.4.23.160.496
4hla017Gag-Pol polyprotein3.4.23.160.496
1d4iBEGGag-Pol polyprotein3.4.23.160.495
1hpxKNIGag-Pol polyprotein/0.495
1ida0POGag-Pol polyprotein3.4.23.470.495
2pyn1UNGag-Pol polyprotein3.4.23.160.495
3sacAF8Protease/0.495
1c70L75Protease/0.494
1ffi2NCGag-Pol polyprotein3.4.23.160.494
1odw0E8Gag-Pol polyprotein3.4.23.160.494
2bpw1INGag-Pol polyprotein3.4.23.160.494
3d1z017Gag-Pol polyprotein3.4.23.160.494
3nxe2NCProtease/0.494
3s56ROCProtease/0.494
4dqh017Gag-Pol polyprotein/0.494
4hdpG52Gag-Pol polyprotein3.4.23.160.494
2fxeDR7Gag-Pol polyprotein3.4.23.160.493
3pwrROCGag-Pol polyprotein3.4.23.160.493
3st5G89Gag-Pol polyprotein3.4.23.160.493
3tof076Gag-Pol polyprotein2.7.7.490.493
1ajvNMBGag-Pol polyprotein3.4.23.160.492
1fej2NCGag-Pol polyprotein3.4.23.160.492
1ff02NCGag-Pol polyprotein3.4.23.160.492
2qi1MZ4Gag-Pol polyprotein/0.492
3mxdK53Gag-Pol polyprotein3.4.23.160.492
4q1y017Gag-Pol polyprotein3.4.23.160.492
1a9mU0EGag-Pol polyprotein/0.491
1meuDMPGag-Pol polyprotein3.4.23.160.491
1muiAB1Protease/0.491
1vikBAYGag-Pol polyprotein/0.491
2psuMUUProtease/0.491
2uxzHI1Gag-Pol polyprotein3.4.23.160.491
3ekwDR7Gag-Pol polyprotein3.4.23.160.491
3hzc2NCProtease/0.491
3i7eDJRGag-Pol polyprotein/0.491
4dqe017Gag-Pol polyprotein/0.491
4k4p3TLGag-Pol polyprotein/0.491
4njvRITProtease/0.491
1fg62NCGag-Pol polyprotein3.4.23.160.490
2fxdDR7Pol polyprotein/0.490
2qnqQN3Gag-Pol polyprotein3.4.23.160.490
3oxw017Gag-Pol polyprotein3.4.23.160.490
3sa323XProtease/0.490
1qbu846Gag-Pol polyprotein3.4.23.160.489
2cem2AHPol protein/0.489
2ien017Gag-Pol polyprotein3.4.23.160.489
2p3d3TLProtease/0.489
2psvMUVProtease/0.489
3el9DR7Gag-Pol polyprotein3.4.23.160.489
3o9aK14Pol polyprotein/0.489
3o9gF53Gag-Pol polyprotein/0.489
4gb20LQGag-Pol polyprotein2.7.7.490.489
1mrwK57Gag-Pol polyprotein3.4.23.160.488
2nnpROCProtease/0.488
3o9cK20Pol polyprotein/0.488
3o9dK19Pol polyprotein/0.488
1c6x3INProtease/0.487
1fff0Q4Gag-Pol polyprotein3.4.23.160.487
2i4dQFIProtease/0.487
3em3478Gag-Pol polyprotein3.4.23.160.487
3gi6D78Gag-Pol polyprotein/0.487
3mxeK54Gag-Pol polyprotein3.4.23.160.487
4djpM73Pol polyprotein/0.487
4rvj478Protease/0.487
1d4hBEHGag-Pol polyprotein3.4.23.160.486
2f3kRO1Protease/0.486
3cktYDPGag-Pol polyprotein3.4.23.160.486
3djkG55Gag-Pol polyprotein3.4.23.160.486
3gi4K60Gag-Pol polyprotein/0.486
3oxv478Gag-Pol polyprotein3.4.23.160.486
1bdqIM1Gag-Pol polyprotein3.4.23.160.485
1g35AHFGag-Pol polyprotein3.4.23.160.485
1mesDMPGag-Pol polyprotein3.4.23.160.485
1proA88Gag-Pol polyprotein/0.485
2bbbHH1Gag-Pol polyprotein3.4.23.160.485
2hc0AB2Protease/0.485
3bva2NCGag-Pol polyprotein3.4.23.160.485
3em4DR7Gag-Pol polyprotein3.4.23.160.485
4hdbG52Gag-Pol polyprotein3.4.23.160.485
4njuTPVProtease/0.485
1b6lPI4Gag-Pol polyprotein3.4.23.160.484
1d4jMSCGag-Pol polyprotein3.4.23.160.484
1hosPHPGag-Pol polyprotein/0.484
2qhzMZ2Gag-Pol polyprotein/0.484
3d20017Gag-Pol polyprotein3.4.23.160.484
3dcrKVSProtease/0.484
3em6017Gag-Pol polyprotein3.4.23.160.484
3o9eA60Pol polyprotein/0.484
3o9fK2DGag-Pol polyprotein/0.484
4djr0KJPol polyprotein/0.484
1hiiC20Gag-Pol polyprotein/0.483
1idb0DOGag-Pol polyprotein/0.483
1qbrXV6Gag-Pol polyprotein3.4.23.160.483
1qbt146Gag-Pol polyprotein3.4.23.160.483
2qi7MZ9Gag-Pol polyprotein/0.483
2r38G4GGag-Pol polyprotein3.4.23.160.483
3bxrDRRGag-Pol polyprotein3.4.23.160.483
4njsG08Protease/0.483
1g2kNM1Gag-Pol polyprotein3.4.23.160.482
1hwr216Gag-Pol polyprotein3.4.23.160.482
1k2c0Q4Gag-Pol polyprotein3.4.23.160.482
2fde385Gag-Pol polyprotein3.4.23.160.482
2r3wG3GGag-Pol polyprotein3.4.23.160.482
2upjU02Gag-Pol polyprotein3.4.23.160.482
3bheBZNGag-Pol polyprotein3.4.23.160.482
3lzv017Gag-Pol polyprotein3.4.23.160.482
3nu3478Gag-Pol polyprotein3.4.23.160.482
3oy4017Gag-Pol polyprotein3.4.23.160.482
3r4b74TGag-Pol polyprotein/0.482
3sa6F71Protease/0.482
3vfa031Gag-Pol polyprotein3.4.23.160.482
4q1w017Gag-Pol polyprotein3.4.23.160.482
1bwb146Gag-Pol polyprotein3.4.23.160.481
1hvrXK2Gag-Pol polyprotein/0.481
1qbsDMPGag-Pol polyprotein3.4.23.160.481
1vijBAYGag-Pol polyprotein/0.481
2f81017Gag-Pol polyprotein3.4.23.160.481
2hs1017Protease/0.481
3nuo478Gag-Pol polyprotein3.4.23.160.481
3nwq2NCGag-Pol polyprotein3.4.23.160.481
3o9iA61Gag-Pol polyprotein/0.481
3bgbLJGGag-Pol polyprotein3.4.23.160.480
3qrsNK8Gag-Pol polyprotein3.4.23.160.480
3toh079Gag-Pol polyprotein2.7.7.490.480
4njt017Protease/0.480
1sguMK1Gag-Pol polyprotein3.4.23.160.479
2q55MU0Protease/0.479
3fx5KNIGag-Pol polyprotein3.4.23.160.479
3sa4F72Protease/0.479
3sa8K83Protease/0.479
3saa77FProtease/0.479
4dqb017Gag-Pol polyprotein/0.479
3ggu017Gag-Pol polyprotein3.4.23.160.478
3qroNK9Gag-Pol polyprotein3.4.23.160.478
4dfg0JVGag-Pol polyprotein3.4.23.160.478
1hpv478Gag-Pol polyprotein/0.477
2i4vDJRV-1 protease/0.477
2i4xKGQProtease/0.477
2qd7065Gag-Pol polyprotein3.4.23.160.477
2r3tG4GGag-Pol polyprotein3.4.23.160.477
3jvwDMPGag-Pol polyprotein3.4.23.160.477
4a4qUX9Pol protein/0.477
4djqM86Pol polyprotein/0.477
2q631UNGag-Pol polyprotein3.4.23.160.476
3i6oGR6Gag-Pol polyprotein3.4.23.160.476
3nu6478Gag-Pol polyprotein3.4.23.160.476
3o9hK2EGag-Pol polyprotein/0.476
1c6zROCProtease/0.475
1t7i017Gag-Pol polyprotein3.4.23.160.475
2a1eIPFGag-Pol polyprotein3.4.23.160.475
3dckKVIProtease/0.475
3jvy017Gag-Pol polyprotein3.4.23.160.475
2idw017Protease/0.474
7upjINUGag-Pol polyprotein3.4.23.160.474
9hvp0E9Gag-Pol polyprotein/0.474
1bai0Q4Gag-Pro polyprotein/0.473
1bdlIM1Gag-Pol polyprotein3.4.23.160.473
1sivPSIGag-Pol polyprotein/0.473
3ekt017Gag-Pol polyprotein3.4.23.160.473
3uhl2NCGag-Pol polyprotein3.4.23.160.473
4djoMK5Pol polyprotein/0.473
1yt9OISGag-Pol polyprotein/0.472
3lzs017Gag-Pol polyprotein3.4.23.160.472
3o9bK2APol polyprotein/0.469
3pwm017Gag-Pol polyprotein3.4.23.160.469
3ufnROCGag-Pol polyprotein/0.469
2p3a3TLPol protein/0.468
1bwaXV6Gag-Pol polyprotein3.4.23.160.467
3bvb017Gag-Pol polyprotein3.4.23.160.467
3linE13Protease/0.467
4hegG52Gag-Pol polyprotein3.4.23.160.467
4i8zG08Gag-Pol polyprotein3.4.23.160.467
1t7kBH0Gag-Pol polyprotein3.4.23.160.466
2aidTHKGag-Pol polyprotein3.4.23.160.466
4j55031Gag-Pol polyprotein3.4.23.160.466
1bv9XV6Gag-Pol polyprotein3.4.23.160.465
2b60RITPol polyprotein/0.465
2i4uDJRProtease/0.465
1c6yMK1Protease/0.464
1k6vXN2Gag-Pol polyprotein3.4.23.160.464
1npvL27Gag-Pol polyprotein3.4.23.160.464
1odyLP1Gag-Pol polyprotein3.4.23.160.464
2pwcG3GGag-Pol polyprotein3.4.23.160.464
3ekp478Gag-Pol polyprotein3.4.23.160.464
3qp0NI8Gag-Pol polyprotein3.4.23.160.464
2p3c3TLProtease/0.463
3gi5K62Gag-Pol polyprotein/0.463
3qihNI7Gag-Pol polyprotein3.4.23.160.463
4q1x017Gag-Pol polyprotein3.4.23.160.463
1hbvGANGag-Pol polyprotein/0.461
1ivq0PXGag-Pol polyprotein/0.461
1kzkJE2Gag-Pol polyprotein3.4.23.160.461
2q3kMUWGag-Pol polyprotein/0.461
1sh9RITGag-Pol polyprotein3.4.23.160.460
2fleAIProtease/0.460
3bgcLJHGag-Pol polyprotein3.4.23.160.460
3qihFG7Gag-Pol polyprotein3.4.23.160.460
1merDMQGag-Pol polyprotein3.4.23.160.459
3el01UNGag-Pol polyprotein3.4.23.160.459
4j5j478Gag-Pol polyprotein3.4.23.160.459
6upjNIUGag-Pol polyprotein/0.459
2i0aMUIProtease/0.458
1n49RITGag-Pol polyprotein3.4.23.160.457
1t3r017Gag-Pol polyprotein3.4.23.160.457
3ec0GRLGag-Pol polyprotein3.4.23.470.457
3t3c017Gag-Pol polyprotein3.4.23.160.457
1hpoUNIGag-Pol polyprotein3.4.23.160.456
1tcwIM1Gag-Pol polyprotein/0.456
4a6bQG8Gag-Pol polyprotein3.4.23.160.456
3nwxKVSGag-Pol polyprotein3.4.23.160.454
1msmJE2Gag-Pol polyprotein3.4.23.160.453
1xl2189Gag-Pol polyprotein3.4.23.160.453
3qpjN4IGag-Pol polyprotein3.4.23.160.453
1bv7XV6Gag-Pol polyprotein3.4.23.160.451
1t7j478Gag-Pol polyprotein3.4.23.160.449
2i0dMUTProtease/0.449
3liqE14Protease/0.449
3upjU03Gag-Pol polyprotein/0.449
3lzu017Gag-Pol polyprotein3.4.23.160.448
3ucb017Gag-Pol polyprotein/0.448
4j54G52Gag-Pol polyprotein3.4.23.160.448
3livE16Protease/0.447
3ecg065Gag-Pol polyprotein3.4.23.470.445
3lixE17Protease/0.444
1dmpDMQGag-Pol polyprotein3.4.23.160.443
1ebk0Q4Gag-Pol polyprotein3.4.23.160.443
3cyw017Gag-Pol polyprotein3.4.23.160.443
2pwrG4GGag-Pol polyprotein3.4.23.160.442