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Information on SUBCLASS 4.4.1
Subclass Accession number: 654
Subclass: 4.4.1 PSSM
Type: HA beta-beta hairpin
DB: ArchDB40

Image coordinates: Rasmol PDB Jmol PDB
Consensus coordinates: Rasmol PDB Jmol PDB

Conserved Annotation
SCOP : 48726 (>50 %)  48942 (>50 %)  
 Number of loops: 42

Average sequence ID (%) : 15.5 +/- 17.2
Average RMSD (Å) : 0.448 +/- 0.115

Consensus geometry
d (Å): 7 delta (°): 45-90 theta (°): 135-180 rho (°): 315-360
Consensus Sequence: XXXXpGph
(φψ)-conformation: bbpaagbb
Pattern: xx[adgknqrst]x[adegknqrst][gnqr]x[afiklmtv]x
Conservation:-0.505-0.789-0.276-0.6330.3602.480-0.3500.175-0.462
Loops included in this Subclass
LoopPDBChainStartEndSequenceSec StructRamachandran
1aa6_*_4531aa6   -455463FTAADRGFQEE-TTSEEEbbxaavxxb
1ais_A_1461ais   A149157LLFSSGKIVEE-TTSEEEbbbaavxbb
1ais_A_561ais   A5866LIFSSGKLVEE-TTSEEEbbbaavxbb
1cwv_A_8481cwv   A849857SVNDQGQVTEE-TT-EEEbbbaavxbb
1fs7_A_2191fs7   A225233WKDDKGVDKEE-TT--EEbbxaavxxb
1fwx_A_3231fwx   A327335AFDGRGNAYEE-TTSEEEbbxaavxbb
1fzr_A_561fzr   A5664FLLPNGIFVEE-TTSEEEbbxaavxxb
1g72_A_1171g72   A120128KKQANGHLLEE-TTSEEEbbbaavxbb
1g72_A_3141g72   A321329HIDRNGILYEE-TTSEEEbbxaavbxb
1g72_A_4771g72   A480488YATLDGYLKEE-TTSEEEbbbaagbbb
1g8k_A_5381g8k   A540548SMNGERRIREE-TT-EEEbbbaavxxb
1gwy_A_841gwy   A9098YYMSSGNTLEEETTSEEEbxxaavbbx
1h6l_A_1721h6l   A176184VTGKEGEFEEE-SSSEEEbbbaagxbb
1htp_*_81htp   -816KYAPSHEWVEE-TTSEEEbbbaavbbb
1i4u_A_1151i4u   A122130IDYNFGYHSEE-TTSEEEbxxaavbbb
1ih7_A_4551ih7   A455463SCSPNGMMYEE-TTSEEExbbaagxbb
1jmx_A_4351jmx   A436444KMQADGVFVEE-TTSEEEbxxaavbxb
1kaf_A_1491kaf   A153161EINNNGNMREE-TTSEEEbbbaavbbb
1kaf_A_1811kaf   A183191KIAKNGNVYEE-TTSEEEbbxaavxbb
1kb0_A_1301kb0   A133141VGAWDGRLIEE-TTSEEEbxxaavxxb
1kb0_A_4901kb0   A493501QGTADGRLVEE-TTSEEEbxbaavbbb
1kcm_A_401kcm   A4856YEKDDGEKGEE-TTS-EEbbxaavxbe
1kll_A_981kll   A104112WNAVWGQRYEE-TTSEEEbxxaavbxb
1kqf_A_6241kqf   A626634IANSGRWLQEE-TT-EEEbxxaavxxb
1kv9_A_1191kv9   A122130VGTLDGRLIEE-TTSEEEbbbaavxbb
1kv9_A_4711kv9   A474482QGTAAGQMHEE-TTSEEEbbbaavbbb
1lfw_A_1051lfw   A105113EIDEEGRIYEE-TT-EEEbbxaavxbx
1lur_A_11291lur   A11371145TVNDRNQLIEE-TTSEEEbbbaalbbb
1nbw_B_621nbw   B6573GLSASGEIAEE-TTSEEEbbxaavxbb
1ng4_A_2451ng4   A248256VPRKSGRLVEE-TTSEEEbxxaavxbx
1nh2_A_1101nh2   A114122LIFASGKMVEE-TTSEEEbbbaavxbb
1nh2_A_2021nh2   A205213LIFVSGKIVEE-TTSEEEbbbaavxbb
1ofz_A_1771ofz   A182190YQATDNKIREEBTTSEEEbbxaavxxb
1ofz_A_221ofz   A2735FQDLNGKIREEBTTSEEEbbxaavxxb
1olz_A_3991olz   A407415TQALDGTVYEE-TTS-EEbbxaavxxb
1pgu_A_4091pgu   A413421SANNDGFTAEE-SSSEEEbbbaavbbb
1q1u_A_111q1u   A1523LFSQQGYFLEEETTTEEEbxxaavbxx
1q7f_A_9171q7f   A921929VVNDKQEIFEE-SSSEEEbbbaalbbb
1rqp_A_2631rqp   A266274YLNSRGYLSEE-TTSEEEbbxaavbpb
1v04_A_541v04   A5664EILPNGLAFEE-TTSEEEbbxaavxbb
2bbk_H_2262bbk   H229237WPTYTGKIHEEBTTSEEEbxbaavxbx
2nap_A_4692nap   A471479YGCGERRYSEE-TTSEEEbbxaavxbb
PDB ligands within a cut-off distance of 6 Å in this subclass
LoopPDBChainLigandsResidue
1ais_A_561ais   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE T - 68
1ais_A_1461ais   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE S - 146
1ais_A_1461ais   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE V - 147
1ais_A_1461ais   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE S - 159
1ais_A_1461ais   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE G - 160
1fs7_A_2191fs7   A     CACALCIUM ION Y - 219
1fs7_A_2191fs7   A     HEMPROTOPORPHYRIN IX CONTAINING FE F - 220
1fs7_A_2191fs7   A     CACALCIUM ION F - 220
1fs7_A_2191fs7   A     HEMPROTOPORPHYRIN IX CONTAINING FE V - 238
1fs7_A_2191fs7   A     CACALCIUM ION V - 238
1g72_A_3141g72   A     CACALCIUM ION R - 324
1g72_A_3141g72   A     PQQPYRROLOQUINOLINE QUINONE R - 324
1g8k_A_5381g8k   A     EDO1,2-ETHANEDIOL N - 542
1g8k_A_5381g8k   A     EDO1,2-ETHANEDIOL E - 544
1g8k_A_5381g8k   A     EDO1,2-ETHANEDIOL R - 546
1h6l_A_1721h6l   A     PO4PHOSPHATE ION K - 179
1htp_*_81htp   *     OSS6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID P - 11
1htp_*_81htp   *     OSS6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID S - 12
1htp_*_81htp   *     OSS6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID H - 13
1htp_*_81htp   *     OSS6-(HYDROXYETHYLDITHIO)-8-(AMINOMETHYLTHIO)OCTANOIC ACID E - 14
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL L - 118
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL S - 120
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL I - 122
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL F - 132
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL F - 134
1i4u_A_1151i4u   A     MPD2-METHYL-2,4-PENTANEDIOL F - 136
1kb0_A_4901kb0   A     TRO2-HYDROXY-TRYPTOPHAN F - 492
1kb0_A_4901kb0   A     GOLGLYCEROL T - 495
1kb0_A_4901kb0   A     GOLGLYCEROL D - 497
1kb0_A_4901kb0   A     GOLGLYCEROL R - 499
1kb0_A_4901kb0   A     TRO2-HYDROXY-TRYPTOPHAN L - 500
1kb0_A_4901kb0   A     TRO2-HYDROXY-TRYPTOPHAN V - 501
1kb0_A_4901kb0   A     CACALCIUM ION V - 501
1kb0_A_4901kb0   A     GOLGLYCEROL V - 501
1kb0_A_4901kb0   A     TRO2-HYDROXY-TRYPTOPHAN A - 502
1kb0_A_4901kb0   A     CACALCIUM ION A - 502
1kb0_A_4901kb0   A     TRO2-HYDROXY-TRYPTOPHAN Y - 503
1kb0_A_4901kb0   A     GOLGLYCEROL Y - 503
1kll_A_981kll   A     MSESELENOMETHIONINE V - 115
1ng4_A_2451ng4   A     FADFLAVIN-ADENINE DINUCLEOTIDE Y - 246
1ng4_A_2451ng4   A     PEOHYDROGEN PEROXIDE Y - 246
1ng4_A_2451ng4   A     PO4PHOSPHATE ION S - 252
1ng4_A_2451ng4   A     PO4PHOSPHATE ION R - 254
1nh2_A_2021nh2   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE V - 203
1nh2_A_2021nh2   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE L - 205
1nh2_A_2021nh2   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE V - 213
1nh2_A_2021nh2   A     5IU5-IODO-2'-DEOXYURIDINE-5'-MONOPHOSPHATE T - 215
1ofz_A_221ofz   A     FULBETA-L-FUCOSE Q - 22
1ofz_A_221ofz   A     FULBETA-L-FUCOSE R - 24
1ofz_A_221ofz   A     FULBETA-L-FUCOSE Y - 26
1ofz_A_221ofz   A     FULBETA-L-FUCOSE E - 36
1ofz_A_221ofz   A     FULBETA-L-FUCOSE Q - 38
1ofz_A_1771ofz   A     FULBETA-L-FUCOSE R - 177
1ofz_A_1771ofz   A     AFLALPHA-L-FUCOSE R - 177
1ofz_A_1771ofz   A     FULBETA-L-FUCOSE L - 178
1ofz_A_1771ofz   A     AFLALPHA-L-FUCOSE R - 179
1ofz_A_1771ofz   A     AFLALPHA-L-FUCOSE Y - 181
1ofz_A_1771ofz   A     AFLALPHA-L-FUCOSE E - 191
1ofz_A_1771ofz   A     AFLALPHA-L-FUCOSE C - 193
1ofz_A_1771ofz   A     FULBETA-L-FUCOSE W - 194
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE Y - 266
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE N - 268
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE S - 269
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE R - 270
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE A - 276
1rqp_A_2631rqp   A     SAMS-ADENOSYLMETHIONINE R - 277
1v04_A_541v04   A     CACALCIUM ION D - 54
1v04_A_541v04   A     CACALCIUM ION L - 55
1v04_A_541v04   A     CACALCIUM ION E - 56
PDB Site Annotated loops in this subclass
LoopPDBChainSiteResidue
1h6l_A_1721h6l   A AC9PRODUCT PO4 502 BINDING SITE FOR CHAIN AK - 179
1ofz_A_221ofz   A AC1FUL BINDING SITE FOR CHAIN AR - 24
1ofz_A_221ofz   A AC1FUL BINDING SITE FOR CHAIN AE - 36
1ofz_A_1771ofz   A AC4AFL BINDING SITE FOR CHAIN AR - 179
1v04_A_541v04   A AC1CA BINDING SITE FOR CHAIN AD - 54

Clusters included in this Subclass
CLUSTER: HA.3.13
CLUSTER: HA.4.11
CLUSTER: HA.5.8