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Information on SUBCLASS 4.1.4
Subclass Accession number: 6239
Subclass: 4.1.4 PSSM
Type: HA beta-beta hairpin
DB: ArchDB95

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 53

Average sequence ID (%) : 9.8 +/- 12.7
Average RMSD (Å) : 0.345 +/- 0.167

Consensus geometry
d (Å): 5 delta (°): 45-90 theta (°): 135-180 rho (°): 270-315
Consensus Sequence: hpXXXcXX
(φψ)-conformation: bbaaalbb
Pattern: xx[fgilmpvwy][dehknrswy]xxx[adegknqrs]xxx
Conservation:-0.588-1.0190.5871.362-0.011-0.300-0.0341.9300.009-1.571-0.365
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
12as_A_23312as   A237247LVWNPVLEDAFEEEETTTTEEEbbxxaaalbxb
1avb_A_551avb   A5563..NDRTIDNLA..EEGGGTEEE..bbaaalbbx
1bsm_A_1251bsm   A129139LVWDPLGKRINEEEETTTTEEEbbbxaaalbbb
1bun_B_201bun   B2333FYYKPSAKRCVEEEEGGGTEEEbbxbaaNlbbb
1byf_A_961byf   A97107VQIWSKYNLLDEEEETTTTEEEbbxxaaavbxb
1cqx_A_1901cqx   A194204AIDVPALGLQQEEEETTTTEEEbbxbaaavbxb
1dlj_A_851dlj   A8592..YNSRINYF...EETTTTEE...xbaaalbx.
1dqz_A_81dqz   A1222QVPSASMGRDIEEEETTTTEEEbbwbaaalbxx
1dtx_*_201dtx   -2333FYYNQKKKQCEEEEETTTTEEEbbxxaaavbxb
1dyp_A_861dyp   A93103TFWDGCNQQQVEEEEGGGTEEExbxxaaalbxb
1g0u_J_971g0u   J102112GGYDKKKNKPEEEEETTTTEEEbbbxaaavbwb
1h32_A_961h32   A96105.KYVESAGKVR.EEETTTTEEE.bxbaaalbxb
1hyh_A_2691hyh   A274284SNRRDDMGMYLEEE-TTT-SEExbxxaaavbxb
1i7a_A_321i7a   A3646YFYDVTRNSYREEEETTTTEEEbbxxaaavbbb
1iyk_A_1491iyk   A159169TFKLNKSNKVIEEEETTTTEEEbbbbaaalbbb
1izn_A_861izn   A8696RFLDPRNKISFEEE-TTT-EEEbbbbaaavbbb
1jce_A_2231jce   A227237SGIDLSTGLPREEEETTTTEEEbbbxaaavbwb
1jjf_A_501jjf   A5565SYFSTATNSTREEEETTTTEEEbbxbaaalbxb
1k7k_A_1601k7k   A160168.FFVPSEGKT..EEEGGGTEE..bxbaaalbx.
1kth_A_181kth   A2131WYYDPNTKSCAEEEETTTTEEEbbxbaaalbxb
1l1l_A_4901l1l   A495505DDFDPETHEAIEEE-TTT--EExbbxaaavxxb
1m2r_A_511m2r   A5565EGINVNNNEKCEEEETTTTEEExbbxaaNvxxb
1mp2_A_561mp2   A6171YQYRHTYGRRLEEEETTTTEEEbbxbaaavbxb
1mxg_A_1161mxg   A117127LEWNPFVGDYTEEEETTTTEEExbxbaaavbxb
1n4q_B_3401n4q   B340347..VHPALNVS...EETTTTEE...xxaaavbx.
1n8j_A_1101n8j   A110117..MREDEGLA...EETTTTEE...xxaaavbx.
1na7_A_511na7   A5565EAINITNNEKVEEEETTTTEEExbbxaaalbxb
1nhp_*_2851nhp   -285294.IKYNPADTEV.EEEGGGTEEE.bxbaaalbbb
1nl0_L_841nl0   L8999AAWDDSLSEFLEEEETTTTEEEbbxbaaalbxb
1nxc_A_2211nxc   A221230.ELKPISKEGH.EEETTTTEEE.bbxaaalbxb
1o6y_A_231o6y   A2737LARDLRLHRDVEEEETTTTEEExbbxaaalbxb
1oi2_A_2601oi2   A265275RFWDYQQGSWQEEEETTTTEEExbxxaaavbxb
1oqe_N_81oqe   N818ECFDLLVRHCVEEEETTTTEEEbxxxaaavbxb
1oxw_A_1491oxw   A153163SSFDIKTNKPVEEEETTTTEEExbbxaaavbxb
1p7g_A_1401p7g   A144154LVYEPLEEQLLEEEETTTTEEEbbbxaaalbxb
1phk_*_311phk   -3545RCIHKPTCKEYEEEETTTTEEExbbxaaavxxb
1pl4_A_1221pl4   A126136LGFNKERGHLQEEEETTTTEEExbbxaaavbxb
1pmq_A_771pmq   A8090AAYDAVLDRNVEEEETTTTEEExbbxaaalbxb
1q3q_A_4771q3q   A477487IGIDVFEGKPAEEEETTTTEEExbxbaaalbwb
1q8y_A_1701q8y   A174184LAKDMVNNTHVEEEETTTTEEExbbxaaalbbb
1qmv_A_1181qmv   A118125..LKTDEGIA...EETTTTEE...xxaaavbx.
1qwd_A_721qwd   A7787KGYNPDRGMWQEEEETTTTEEEbbbxaaavbxb
1r3c_A_361r3c   A4050AAFDTKTGLRVEEEETTTTEEExbbxaaavxxb
1r88_A_371r88   A4050MVPSPSMGRDIEEEETTTTEEEbxpbaaavbxb
1rl2_A_751rl2   A8090IEYDPNRSANIEEEEGGGTEEEbbxbaaalbxb
1ug9_A_8561ug9   A856866TPGLPGTNINLEE-SGGG-EEEbpxpaaavbbb
1uir_A_2191uir   A224234KNHIPGFFLNFEEEEGGGTEEEbbxbaaalbxb
1utc_A_3031utc   A306316TAPHEATAGIIEEEETTTTEEEbbxxaaalxbb
1v3e_A_5411v3e   A549559EINHKSLNTLQEEEETTTTEEExbxbaaalbbb
1vhz_A_591vhz   A6474REYAVGTESYEEEEETTTTEEEbbxbaaalbxx
2ebn_*_412ebn   -4959INYDAANDKVFEEEETTTTEEEbbbbaaalbxb
2rhe_*_852rhe   -90100AAWNDSLDEPGEEEETTTTEEEbbxbaaavbxb
5pti_*_185pti   -2131YFYNAKAGLCQEEEETTTTEEEbbxxaaavbxb
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
12as_A_23312as   A     AMPADENOSINE MONOPHOSPHATE I - 236
12as_A_23312as   A     AMPADENOSINE MONOPHOSPHATE E - 248
12as_A_23312as   A     AMPADENOSINE MONOPHOSPHATE L - 249
12as_A_23312as   A     AMPADENOSINE MONOPHOSPHATE S - 250
12as_A_23312as   A     AMPADENOSINE MONOPHOSPHATE S - 251
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE N - 55
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE D - 56
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE R - 57
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE T - 58
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE S - 66
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE T - 67
1avb_A_551avb   A     NAGN-ACETYL-D-GLUCOSAMINE N - 68
1bsm_A_1251bsm   A     FEFE (III) ION W - 126
1byf_A_961byf   A     ZNZINC ION Q - 98
1byf_A_961byf   A     ACTACETATE ION Q - 98
1byf_A_961byf   A     GOLGLYCEROL Q - 98
1byf_A_961byf   A     CACALCIUM ION W - 100
1byf_A_961byf   A     ZNZINC ION W - 100
1byf_A_961byf   A     ACTACETATE ION W - 100
1byf_A_961byf   A     GOLGLYCEROL W - 100
1byf_A_961byf   A     ZNZINC ION S - 101
1byf_A_961byf   A     ACTACETATE ION S - 101
1byf_A_961byf   A     OC6CALCIUM ION, 6 WATERS COORDINATED L - 105
1byf_A_961byf   A     CACALCIUM ION D - 107
1byf_A_961byf   A     ACTACETATE ION D - 107
1byf_A_961byf   A     GOLGLYCEROL D - 107
1byf_A_961byf   A     CACALCIUM ION D - 108
1byf_A_961byf   A     GOLGLYCEROL D - 108
1byf_A_961byf   A     CACALCIUM ION V - 109
1byf_A_961byf   A     ACTACETATE ION V - 109
1byf_A_961byf   A     GOLGLYCEROL V - 109
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE Y - 190
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE Q - 204
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE R - 206
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE Q - 207
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE Y - 208
1cqx_A_1901cqx   A     FADFLAVIN-ADENINE DINUCLEOTIDE S - 209
1dyp_A_861dyp   A     CDCADMIUM ION K - 86
1dyp_A_861dyp   A     CDCADMIUM ION E - 88
1h32_A_961h32   A     HECHEME C K - 96
1h32_A_961h32   A     HECHEME C V - 98
1i7a_A_321i7a   A     PHEPHENYLALANINE T - 33
1i7a_A_321i7a   A     PHEPHENYLALANINE S - 35
1i7a_A_321i7a   A     PHEPHENYLALANINE F - 37
1i7a_A_321i7a   A     FLCCITRATE ANION D - 39
1i7a_A_321i7a   A     FLCCITRATE ANION R - 42
1i7a_A_321i7a   A     FLCCITRATE ANION R - 46
1i7a_A_321i7a   A     PHEPHENYLALANINE I - 48
1i7a_A_321i7a   A     PHEPHENYLALANINE S - 49
1i7a_A_321i7a   A     PHEPHENYLALANINE V - 50
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA I - 153
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA V - 172
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA I - 174
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA N - 175
1iyk_A_1491iyk   A     MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL] PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE N - 175
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA F - 176
1iyk_A_1491iyk   A     MIM[CYCLOHEXYLETHYL]-[[[[4-[2-METHYL-1-IMIDAZOLYL-BUTYL] PHENYL]ACETYL]-SERYL]-LYSINYL]-AMINE F - 176
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA L - 177
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA C - 178
1iyk_A_1491iyk   A     MYATETRADECANOYL-COA I - 179
1kth_A_181kth   A     PO4PHOSPHATE ION L - 19
1kth_A_181kth   A     PO4PHOSPHATE ION W - 21
1kth_A_181kth   A     PO4PHOSPHATE ION R - 32
1m2r_A_511m2r   A     MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE V - 53
1m2r_A_511m2r   A     MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE I - 66
1m2r_A_511m2r   A     MNY5,8-DI-AMINO-1,4-DIHYDROXY-ANTHRAQUINONE K - 68
1mxg_A_1161mxg   A     ACRACARBOSE E - 118
1mxg_A_1161mxg   A     ACRACARBOSE F - 122
1mxg_A_1161mxg   A     ACRACARBOSE T - 129
1mxg_A_1161mxg   A     ACRACARBOSE D - 130
1n4q_B_3401n4q   B     MGM2-[METHYL-(5-GERANYL-4-METHYL-PENT-3-ENYL)-AMINO]-ETHYL-DIPHOSPHATE N - 345
1o6y_A_231o6y   A     ACPPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER S - 23
1o6y_A_231o6y   A     MGMAGNESIUM ION S - 23
1o6y_A_231o6y   A     ACPPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER E - 24
1o6y_A_231o6y   A     ACPPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER V - 25
1o6y_A_231o6y   A     ACPPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER A - 38
1o6y_A_231o6y   A     ACPPHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER K - 40
1o6y_A_231o6y   A     MGMAGNESIUM ION K - 40
1oxw_A_1491oxw   A     MSESELENOMETHIONINE V - 150
1oxw_A_1491oxw   A     MSESELENOMETHIONINE I - 152
1p7g_A_1401p7g   A     ACTACETATE ION L - 149
1p7g_A_1401p7g   A     MSESELENOMETHIONINE L - 156
1p7g_A_1401p7g   A     MSESELENOMETHIONINE Q - 157
1p7g_A_1401p7g   A     MSESELENOMETHIONINE I - 158
1p7g_A_1401p7g   A     MSESELENOMETHIONINE E - 159
1phk_*_311phk   *     ATPADENOSINE-5'-TRIPHOSPHATE S - 31
1phk_*_311phk   *     ATPADENOSINE-5'-TRIPHOSPHATE V - 32
1phk_*_311phk   *     ATPADENOSINE-5'-TRIPHOSPHATE V - 33
1phk_*_311phk   *     ATPADENOSINE-5'-TRIPHOSPHATE A - 46
1phk_*_311phk   *     ATPADENOSINE-5'-TRIPHOSPHATE K - 48
1phk_*_311phk   *     MNMANGANESE (II) ION K - 48
1pl4_A_1221pl4   A     MNMANGANESE (II) ION W - 123
1pmq_A_771pmq   A     880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL -3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE V - 78
1pmq_A_771pmq   A     880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL -3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE A - 91
1pmq_A_771pmq   A     880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL -3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE I - 92
1pmq_A_771pmq   A     880CYCLOHEXYL-{4-[5-(3,4-DICHLOROPHENYL)-2-PIPERIDIN-4-YL -3-PROPYL-3H-IMIDAZOL-4-YL]-PYRIMIDIN-2-YL}AMINE K - 93
1q3q_A_4771q3q   A     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER I - 479
1q3q_A_4771q3q   A     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER D - 480
1q3q_A_4771q3q   A     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER V - 481
1q3q_A_4771q3q   A     ANPPHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER F - 482
1q8y_A_1701q8y   A     ADPADENOSINE-5'-DIPHOSPHATE S - 170
1q8y_A_1701q8y   A     ADPADENOSINE-5'-DIPHOSPHATE T - 171
1q8y_A_1701q8y   A     ADPADENOSINE-5'-DIPHOSPHATE V - 172
1q8y_A_1701q8y   A     ADPADENOSINE-5'-DIPHOSPHATE A - 185
1q8y_A_1701q8y   A     ADPADENOSINE-5'-DIPHOSPHATE K - 187
1qmv_A_1181qmv   A     NCBN-CARBAMOYL-ALANINE L - 118
1rl2_A_751rl2   A     MSESELENOMETHIONINE G - 75
1rl2_A_751rl2   A     MSESELENOMETHIONINE R - 76
1rl2_A_751rl2   A     MSESELENOMETHIONINE V - 77
1rl2_A_751rl2   A     MSESELENOMETHIONINE A - 78
1rl2_A_751rl2   A     MSESELENOMETHIONINE Y - 95
1ug9_A_8561ug9   A     CACALCIUM ION N - 863
1v3e_A_5411v3e   A     NAGN-ACETYL-D-GLUCOSAMINE S - 554
5pti_*_185pti   *     PO4PHOSPHATE ION I - 18
5pti_*_185pti   *     PO4PHOSPHATE ION R - 20
5pti_*_185pti   *     UNKUNKNOWN Y - 23
5pti_*_185pti   *     UNKUNKNOWN N - 24
5pti_*_185pti   *     UNKUNKNOWN G - 28
5pti_*_185pti   *     UNKUNKNOWN L - 29
5pti_*_185pti   *     UNKUNKNOWN C - 30
5pti_*_185pti   *     PO4PHOSPHATE ION Y - 35
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1byf_A_961byf   A CAACARBOHYDRATE BINDING CALCIUM SITED - 107
1byf_A_961byf   A CAACARBOHYDRATE BINDING CALCIUM SITED - 108
1o6y_A_231o6y   A MG2MG BINDING SITE FOR CHAIN AK - 40

Clusters included in this Subclass
CLUSTER: HA.3.26
CLUSTER: HA.4.19
CLUSTER: HA.5.15