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Information on SUBCLASS 9.3.1
Subclass Accession number: 6548
Subclass: 9.3.1 PSSM
Type: HA beta-beta hairpin
DB: ArchDB95

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB
Number of loops: 10

Average sequence ID (%) : 80.5 +/- 14.0
Average RMSD (Å) : 0.190 +/- 0.032

Consensus geometry
d (Å): 5 delta (°): 90-135 theta (°): 135-180 rho (°): 0-45
Consensus Sequence: AhXPGPGhcGDhH
(φψ)-conformation: bbppepeaplpbb
Pattern: [a][h][a][fy]x[p][g][pqt][gn][ily]x[g][d][ait][h][f][d]
Conservation:-0.1301.402-0.1300.151-1.7511.0190.636-1.038-0.419-0.996-1.4500.6360.636-1.2401.4020.6360.636
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1cgl_A_1821cgl   A182198AHAFDPGPGIGGDAHFDEEE--SSSTTTT-EEEEbbbbxpexeaxvxbbbx
1fbl_*_1821fbl   -182198AHAFQPGPGIGGDAHFDEEE--S-STTTT-EEEEbbbbppeweapvxbbbx
1gkd_A_1891gkd   A189205AHAFPPGPGIQGDAHFDEEE--SSSTTTT-EEEEbbbbxpexeapvxbbbx
1hfc_*_1821hfc   -182198AHAFQPGPGIGGDAHFDEEE--SSSTTTT-EEEEbbbbxpexeapvxbbbx
1hy7_A_1651hy7   A165181AHAYAPGPGINGDAHFDEEE--SSSTTTT-EEEEbbbxxweweaxvxbbbx
1i76_A_1611i76   A161177AHAFQPGQGIGGDAHFDEEE--SSSTTTT-EEEEbbbbppexeapvxbbbx
1mmq_*_1821mmq   -182198AHAFAPGTGLGGDAHFDEEE--SSSTTTT-EEEEbbbbppexeapvxbbbx
1q3a_A_1811q3a   A181197AHAYPPGPGLYGDIHFDEEE--SSSTTTT-EEEEbbbxwwexeapvxbbbx
1rm8_A_2071rm8   A207223AHAYFPGPGIGGDTHFDEEE--S-STTTT-EEEEbbbbxpeweapvxbbbx
830c_A_186830c   A186202AHAFPPGPNYGGDAHFDEEE--SSSTTTT-EEEEbbbxxpeweapvxbbbx
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP A - 182
1cgl_A_1821cgl   A     ZNZINC ION H - 183
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP H - 183
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP A - 184
1cgl_A_1821cgl   A     ZNZINC ION F - 185
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP F - 185
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP D - 186
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP D - 194
1cgl_A_1821cgl   A     ZNZINC ION H - 196
1cgl_A_1821cgl   A     CBZCARBOBENZOXY GROUP H - 196
1cgl_A_1821cgl   A     CACALCIUM ION D - 198
1fbl_*_1821fbl   *     HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE A - 182
1fbl_*_1821fbl   *     ZNZINC ION A - 182
1fbl_*_1821fbl   *     HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE H - 183
1fbl_*_1821fbl   *     HTAN-[3-(N'-HYDROXYCARBOXAMIDO)-2-(2-METHYLPROPYL)-PROPANOYL]-O-TYROSINE-N-METHYLAMIDE A - 184
1fbl_*_1821fbl   *     CACALCIUM ION G - 188
1fbl_*_1821fbl   *     CACALCIUM ION P - 189
1fbl_*_1821fbl   *     CACALCIUM ION G - 190
1fbl_*_1821fbl   *     CACALCIUM ION I - 191
1fbl_*_1821fbl   *     CACALCIUM ION G - 192
1fbl_*_1821fbl   *     CACALCIUM ION G - 193
1fbl_*_1821fbl   *     CACALCIUM ION D - 194
1gkd_A_1891gkd   A     CACALCIUM ION A - 189
1gkd_A_1891gkd   A     STN2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID A - 189
1gkd_A_1891gkd   A     STN2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID H - 190
1gkd_A_1891gkd   A     ZNZINC ION H - 190
1gkd_A_1891gkd   A     STN2-{[FORMYL(HYDROXY)AMINO]METHYL}-4-METHYLPENTANOIC ACID A - 191
1gkd_A_1891gkd   A     ZNZINC ION F - 192
1gkd_A_1891gkd   A     CACALCIUM ION G - 195
1gkd_A_1891gkd   A     CACALCIUM ION P - 196
1gkd_A_1891gkd   A     CACALCIUM ION G - 197
1gkd_A_1891gkd   A     CACALCIUM ION I - 198
1gkd_A_1891gkd   A     ZNZINC ION I - 198
1gkd_A_1891gkd   A     CACALCIUM ION Q - 199
1gkd_A_1891gkd   A     CACALCIUM ION G - 200
1gkd_A_1891gkd   A     CACALCIUM ION D - 201
1gkd_A_1891gkd   A     ZNZINC ION H - 203
1gkd_A_1891gkd   A     CACALCIUM ION D - 205
1hfc_*_1821hfc   *     HAP(N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL) PHENYLALANYL)METHYL AMINE A - 182
1hfc_*_1821hfc   *     HAP(N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL) PHENYLALANYL)METHYL AMINE H - 183
1hfc_*_1821hfc   *     HAP(N-(2-HYDROXAMATEMETHYLENE-4-METHYL-PENTOYL) PHENYLALANYL)METHYL AMINE A - 184
1hfc_*_1821hfc   *     ZNZINC ION I - 191
1hy7_A_1651hy7   A     ZNZINC ION H - 166
1hy7_A_1651hy7   A     ZNZINC ION Y - 168
1hy7_A_1651hy7   A     CACALCIUM ION G - 171
1hy7_A_1651hy7   A     CACALCIUM ION P - 172
1hy7_A_1651hy7   A     CACALCIUM ION G - 173
1hy7_A_1651hy7   A     ZNZINC ION I - 174
1hy7_A_1651hy7   A     CACALCIUM ION I - 174
1hy7_A_1651hy7   A     CACALCIUM ION N - 175
1hy7_A_1651hy7   A     CACALCIUM ION G - 176
1hy7_A_1651hy7   A     CACALCIUM ION D - 177
1hy7_A_1651hy7   A     ZNZINC ION H - 179
1hy7_A_1651hy7   A     CACALCIUM ION D - 181
1i76_A_1611i76   A     BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID A - 161
1i76_A_1611i76   A     ZNZINC ION H - 162
1i76_A_1611i76   A     BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID H - 162
1i76_A_1611i76   A     BSI2-(BIPHENYL-4-SULFONYL)-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID A - 163
1i76_A_1611i76   A     ZNZINC ION F - 164
1i76_A_1611i76   A     CACALCIUM ION G - 167
1i76_A_1611i76   A     CACALCIUM ION Q - 168
1i76_A_1611i76   A     CACALCIUM ION G - 169
1i76_A_1611i76   A     CACALCIUM ION I - 170
1i76_A_1611i76   A     ZNZINC ION I - 170
1i76_A_1611i76   A     CACALCIUM ION G - 172
1i76_A_1611i76   A     CACALCIUM ION D - 173
1i76_A_1611i76   A     ZNZINC ION H - 175
1mmq_*_1821mmq   *     RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE A - 182
1mmq_*_1821mmq   *     RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE H - 183
1mmq_*_1821mmq   *     RRSN4-HYDROXY-2-ISOBUTYL-N1-(9-OXO-1,8-DIAZA-TRICYCLO[10.6.1.013,18]NONADECA-12(19),13,15,17-TETRAEN-10-YL)-SUCCINAMIDE A - 184
1mmq_*_1821mmq   *     CACALCIUM ION T - 189
1mmq_*_1821mmq   *     ZNZINC ION L - 191
1mmq_*_1821mmq   *     CACALCIUM ION L - 191
1q3a_A_1811q3a   A     ZNZINC ION A - 181
1q3a_A_1811q3a   A     NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID A - 181
1q3a_A_1811q3a   A     ZNZINC ION H - 182
1q3a_A_1811q3a   A     NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID H - 182
1q3a_A_1811q3a   A     NGHN-ISOBUTYL-N-[4-METHOXYPHENYLSULFONYL]GLYCYL HYDROXAMIC ACID A - 183
1q3a_A_1811q3a   A     ZNZINC ION Y - 184
1q3a_A_1811q3a   A     CACALCIUM ION G - 187
1q3a_A_1811q3a   A     CACALCIUM ION P - 188
1q3a_A_1811q3a   A     CACALCIUM ION G - 189
1q3a_A_1811q3a   A     ZNZINC ION L - 190
1q3a_A_1811q3a   A     CACALCIUM ION L - 190
1q3a_A_1811q3a   A     CACALCIUM ION Y - 191
1q3a_A_1811q3a   A     CACALCIUM ION D - 193
1q3a_A_1811q3a   A     ZNZINC ION H - 195
1q3a_A_1811q3a   A     CACALCIUM ION D - 197
1rm8_A_2071rm8   A     ZNZINC ION A - 207
1rm8_A_2071rm8   A     BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE A - 207
1rm8_A_2071rm8   A     ZNZINC ION H - 208
1rm8_A_2071rm8   A     BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE H - 208
1rm8_A_2071rm8   A     BAT4-(N-HYDROXYAMINO)-2R-ISOBUTYL-2S-(2-THIENYLTHIOMETHYL)SUCCINYL-L-PHENYLALANINE-N-METHYLAMIDE A - 209
1rm8_A_2071rm8   A     ZNZINC ION Y - 210
1rm8_A_2071rm8   A     CACALCIUM ION G - 213
1rm8_A_2071rm8   A     CACALCIUM ION P - 214
1rm8_A_2071rm8   A     CACALCIUM ION G - 215
1rm8_A_2071rm8   A     CACALCIUM ION I - 216
1rm8_A_2071rm8   A     CACALCIUM ION G - 217
1rm8_A_2071rm8   A     CACALCIUM ION G - 218
1rm8_A_2071rm8   A     CACALCIUM ION D - 219
1rm8_A_2071rm8   A     ZNZINC ION H - 221
1rm8_A_2071rm8   A     CACALCIUM ION D - 223
830c_A_186830c   A     ZNZINC ION A - 186
830c_A_186830c   A     RS14-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE A - 186
830c_A_186830c   A     ZNZINC ION H - 187
830c_A_186830c   A     RS14-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE H - 187
830c_A_186830c   A     ZNZINC ION A - 188
830c_A_186830c   A     RS14-[4-(4-CHLORO-PHENOXY)-BENZENESULFONYLMETHYL]-TETRAHYDRO-PYRAN-4-CARBOXYLIC ACID HYDROXYAMIDE A - 188
830c_A_186830c   A     ZNZINC ION F - 189
830c_A_186830c   A     ZNZINC ION H - 200
830c_A_186830c   A     CACALCIUM ION D - 202

Clusters included in this Subclass
CLUSTER: HA.9.6