Complet list of 1qjk hssp file
Complete list of 1qjk.hssp file
HSSP HOMOLOGY DERIVED SECONDARY STRUCTURE OF PROTEINS , VERSION 2.0 2011
PDBID 1QJK
THRESHOLD according to: t(L)=(290.15 * L ** -0.562) + 5
REFERENCE Sander C., Schneider R. : Database of homology-derived protein structures. Proteins, 9:56-68 (1991).
CONTACT Maintained at http://www.cmbi.ru.nl/ by Maarten L. Hekkelman
DATE file generated on 2014-05-07
HEADER METALLOTHIONEIN 24-JUN-99 1QJK
COMPND MOL_ID: 1; MOLECULE: METALLOTHIONEIN; CHAIN: A; FRAGMENT: ALPHA DOMAIN
SOURCE MOL_ID: 1; ORGANISM_SCIENTIFIC: STRONGYLOCENTROTUS PURPURATUS; ORGANIS
AUTHOR R.RIEK,B.PRECHEUR,Y.WANG,E.A.MACKAY,G.WIDER,P.GUNTERT,A.LIU, J.H.R.KAE
DBREF 1QJK A 2 37 UNP P04734 MTA_STRPU 2 37
SEQLENGTH 36
NCHAIN 1 chain(s) in 1QJK data set
NALIGN 16
NOTATION : ID: EMBL/SWISSPROT identifier of the aligned (homologous) protein
NOTATION : STRID: if the 3-D structure of the aligned protein is known, then STRID is the Protein Data Bank identifier as taken
NOTATION : from the database reference or DR-line of the EMBL/SWISSPROT entry
NOTATION : %IDE: percentage of residue identity of the alignment
NOTATION : %SIM (%WSIM): (weighted) similarity of the alignment
NOTATION : IFIR/ILAS: first and last residue of the alignment in the test sequence
NOTATION : JFIR/JLAS: first and last residue of the alignment in the alignend protein
NOTATION : LALI: length of the alignment excluding insertions and deletions
NOTATION : NGAP: number of insertions and deletions in the alignment
NOTATION : LGAP: total length of all insertions and deletions
NOTATION : LSEQ2: length of the entire sequence of the aligned protein
NOTATION : ACCNUM: SwissProt accession number
NOTATION : PROTEIN: one-line description of aligned protein
NOTATION : SeqNo,PDBNo,AA,STRUCTURE,BP1,BP2,ACC: sequential and PDB residue numbers, amino acid (lower case = Cys), secondary
NOTATION : structure, bridge partners, solvent exposure as in DSSP (Kabsch and Sander, Biopolymers 22, 2577-2637(1983)
NOTATION : VAR: sequence variability on a scale of 0-100 as derived from the NALIGN alignments
NOTATION : pair of lower case characters (AvaK) in the alignend sequence bracket a point of insertion in this sequence
NOTATION : dots (....) in the alignend sequence indicate points of deletion in this sequence
NOTATION : SEQUENCE PROFILE: relative frequency of an amino acid type at each position. Asx and Glx are in their
NOTATION : acid/amide form in proportion to their database frequencies
NOTATION : NOCC: number of aligned sequences spanning this position (including the test sequence)
NOTATION : NDEL: number of sequences with a deletion in the test protein at this position
NOTATION : NINS: number of sequences with an insertion in the test protein at this position
NOTATION : ENTROPY: entropy measure of sequence variability at this position
NOTATION : RELENT: relative entropy, i.e. entropy normalized to the range 0-100
NOTATION : WEIGHT: conservation weight
## PROTEINS : identifier and alignment statistics
NR. ID STRID %IDE %WSIM IFIR ILAS JFIR JLAS LALI NGAP LGAP LSEQ2 ACCNUM PROTEIN
1 : MTA_STRPU 1QJK 0.94 0.94 1 36 2 37 36 0 0 64 P04734 Metallothionein-A OS=Strongylocentrotus purpuratus GN=MTA PE=1 SV=2
2 : W4YQB1_STRPU 0.94 1.00 1 36 2 37 36 0 0 64 W4YQB1 Uncharacterized protein OS=Strongylocentrotus purpuratus GN=Sp-Mt1 PE=4 SV=1
3 : MT_STENE 0.86 0.91 1 35 2 36 35 0 0 64 P55953 Metallothionein OS=Sterechinus neumayeri PE=3 SV=1
4 : W4XEQ2_STRPU 0.86 0.86 1 35 2 36 35 0 0 65 W4XEQ2 Uncharacterized protein OS=Strongylocentrotus purpuratus PE=4 SV=1
5 : W4YMV7_STRPU 0.85 0.91 1 34 2 35 34 0 0 66 W4YMV7 Uncharacterized protein OS=Strongylocentrotus purpuratus PE=4 SV=1
6 : MTB_STRPU 0.83 0.86 1 35 2 36 35 0 0 65 Q27287 Metallothionein-B OS=Strongylocentrotus purpuratus GN=MTB1 PE=2 SV=1
7 : MT_LYTPI 0.70 0.81 1 35 4 40 37 1 2 68 O02033 Metallothionein OS=Lytechinus pictus GN=MT1 PE=3 SV=1
8 : MTA_SPHGR 0.68 0.81 1 35 3 39 37 1 2 67 Q26497 Metallothionein-A (Fragment) OS=Sphaerechinus granularis PE=3 SV=1
9 : MT_PARLI 0.68 0.81 1 35 1 37 37 1 2 65 P80367 Metallothionein OS=Paracentrotus lividus PE=1 SV=2
10 : Q966Z5_PARLI 0.68 0.81 1 35 2 38 37 1 2 66 Q966Z5 Metallothionein OS=Paracentrotus lividus GN=mt1 PE=4 SV=1
11 : MTB_SPHGR 0.65 0.78 1 35 3 39 37 1 2 67 Q26496 Metallothionein-B (Fragment) OS=Sphaerechinus granularis PE=3 SV=1
12 : A7S1U0_NEMVE 0.52 0.65 7 35 122 152 31 2 2 170 A7S1U0 Predicted protein (Fragment) OS=Nematostella vectensis GN=v1g26128 PE=4 SV=1
13 : U4LKK4_PYROM 0.48 0.58 2 34 100 130 33 2 2 346 U4LKK4 Uncharacterized protein OS=Pyronema omphalodes (strain CBS 100304) GN=PCON_07687 PE=4 SV=1
14 : G8Y9Q1_PICSO 0.47 0.58 1 35 226 259 36 2 3 499 G8Y9Q1 Piso0_003857 protein OS=Pichia sorbitophila (strain ATCC MYA-4447 / BCRC 22081 / CBS 7064 / NBRC 10061 / NRRL Y-12695) GN=Piso0_003857 PE=4 SV=1
15 : M7ZRN7_TRIUA 0.47 0.55 1 35 307 344 38 3 3 392 M7ZRN7 Cysteine protease 1 OS=Triticum urartu GN=TRIUR3_35023 PE=3 SV=1
16 : M8CV26_AEGTA 0.47 0.55 1 35 176 213 38 3 3 271 M8CV26 Cysteine protease 1 OS=Aegilops tauschii GN=F775_12542 PE=3 SV=1
## ALIGNMENTS 1 - 16
SeqNo PDBNo AA STRUCTURE BP1 BP2 ACC NOCC VAR ....:....1....:....2....:....3....:....4....:....5....:....6....:....7
1 2 A P 0 0 160 15 0 PPPPPPPPPPP PPP
2 3 A D + 0 0 153 16 39 DDDDDDDDDDD ADAA
3 4 A V - 0 0 47 16 67 VVVVVVVVTTV TEGG
4 5 A K S S+ 0 0 152 16 55 KKKKKKKKKKK TDSS
5 6 A C >> - 0 0 0 16 39 CCCCCCCCCCC SCTT
6 7 A V H 3> S+ 0 0 79 16 60 VVVDVVFVVVV VACC
7 8 A C H 3>>S+ 0 0 20 17 0 CCCCCCCCCCCCCCCC
8 9 A C H <45S+ 0 0 42 17 9 CCCCCCCCCCCCCSCC
9 10 A T H <5S+ 0 0 63 17 73 KTKKKKRQQQQSKDTT
10 11 A E H <5S- 0 0 119 17 44 EEEEEEDDDDDDGEHH
11 12 A G T <5 + 0 0 64 17 11 GGGGGGGGGGGGGEGG
12 13 A K < - 0 0 119 16 59 KKKKNNKKKKEKK.VV
13 14 A E - 0 0 173 16 60 EEEEEEEEQQEAQ.RR
14 15 A C - 0 0 30 17 46 CCCCCCCCCCCCCCKK
15 16 A A S S+ 0 0 62 17 66 AAAAAAAPPPPCLATT
16 17 A C S S+ 0 0 21 17 21 CCCCCCCCCCCSTCCC
17 18 A F + 0 0 155 17 100 FYKKKTGKAAKDGSFF
18 19 A G S S+ 0 0 63 16 41 GGGGGGGGGGGG.DVV
19 20 A Q S S- 0 0 100 17 76 QQKQQQGGQQGQQEWW
20 21 A D S > S+ 0 0 117 17 40 DDEDDDEEEEEADEGG
21 22 A C H > S+ 0 0 16 17 13 CCCCCCCCCCCCCACC
22 23 A C H 4 S+ 0 0 6 17 0 CCCCCCCCCCCCCCCC
23 24 A V H 4 S+ 0 0 80 17 84 KLTKTTIIIIITMcpp
24 25 A T H < S- 0 0 58 17 71 TTTTTITTTTTYNekk
25 26 A G >< + 0 0 4 17 0 GGGGGGGGGGGgGGgg
26 27 A E T 3 S+ 0 0 94 16 69 EEEEEKKSKKTa.Ett
27 28 A C T 3 S+ 0 0 20 17 0 CCCCCCCCCCCCCCCC
28 29 A C S < S+ 0 0 59 17 0 CCCCCCCCCCCCCCCC
29 30 A K S S+ 0 0 128 17 35 KKKKKKKKKKKTNDKK
30 31 A D S S- 0 0 148 17 26 DDDDGDEEDDEDADDD
31 32 A G S S- 0 0 73 17 0 GGGGGGggggggGGgg
32 33 A T - 0 0 116 17 62 TTTITTtlvvlaTEtt
33 34 A C S S+ 0 0 24 17 5 CCCCCCCCCCCCYCCC
34 35 A C + 0 0 56 17 0 CCCCCCCCCCCCCCCC
35 36 A G 0 0 71 15 47 GGGG GGGGGGS DPP
36 37 A I 0 0 204 3 0 II
## SEQUENCE PROFILE AND ENTROPY
SeqNo PDBNo V L I M F W Y G A P S T C H R K Q E N D NOCC NDEL NINS ENTROPY RELENT WEIGHT
1 2 A 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 15 0 0 0.000 0 1.00
2 3 A 0 0 0 0 0 0 0 0 19 0 0 0 0 0 0 0 0 0 0 81 16 0 0 0.483 16 0.61
3 4 A 63 0 0 0 0 0 0 13 0 0 0 19 0 0 0 0 0 6 0 0 16 0 0 1.041 34 0.32
4 5 A 0 0 0 0 0 0 0 0 0 0 13 6 0 0 0 75 0 0 0 6 16 0 0 0.822 27 0.44
5 6 A 0 0 0 0 0 0 0 0 0 0 6 13 81 0 0 0 0 0 0 0 16 0 0 0.602 20 0.61
6 7 A 69 0 0 0 6 0 0 0 6 0 0 0 13 0 0 0 0 0 0 6 16 0 0 1.037 34 0.39
7 8 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 17 0 0 0.000 0 1.00
8 9 A 0 0 0 0 0 0 0 0 0 0 6 0 94 0 0 0 0 0 0 0 17 0 0 0.224 7 0.91
9 10 A 0 0 0 0 0 0 0 0 0 0 6 24 0 0 6 35 24 0 0 6 17 0 0 1.548 51 0.27
10 11 A 0 0 0 0 0 0 0 6 0 0 0 0 0 12 0 0 0 47 0 35 17 0 0 1.141 38 0.55
11 12 A 0 0 0 0 0 0 0 94 0 0 0 0 0 0 0 0 0 6 0 0 17 1 0 0.224 7 0.89
12 13 A 13 0 0 0 0 0 0 0 0 0 0 0 0 0 0 69 0 6 13 0 16 0 0 0.951 31 0.41
13 14 A 0 0 0 0 0 0 0 0 6 0 0 0 0 0 13 0 19 63 0 0 16 0 0 1.041 34 0.40
14 15 A 0 0 0 0 0 0 0 0 0 0 0 0 88 0 0 12 0 0 0 0 17 0 0 0.362 12 0.54
15 16 A 0 6 0 0 0 0 0 0 53 24 0 12 6 0 0 0 0 0 0 0 17 0 0 1.262 42 0.33
16 17 A 0 0 0 0 0 0 0 0 0 0 6 6 88 0 0 0 0 0 0 0 17 0 0 0.444 14 0.78
17 18 A 0 0 0 0 24 0 6 12 12 0 6 6 0 0 0 29 0 0 0 6 17 1 0 1.871 62 -0.01
18 19 A 13 0 0 0 0 0 0 81 0 0 0 0 0 0 0 0 0 0 0 6 16 0 0 0.602 20 0.59
19 20 A 0 0 0 0 0 12 0 18 0 0 0 0 0 0 0 6 59 6 0 0 17 0 0 1.203 40 0.23
20 21 A 0 0 0 0 0 0 0 12 6 0 0 0 0 0 0 0 0 41 0 41 17 0 0 1.149 38 0.59
21 22 A 0 0 0 0 0 0 0 0 6 0 0 0 94 0 0 0 0 0 0 0 17 0 0 0.224 7 0.86
22 23 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 17 0 0 0.000 0 1.00
23 24 A 6 6 29 6 0 0 0 0 0 12 0 24 6 0 0 12 0 0 0 0 17 0 3 1.871 62 0.16
24 25 A 0 0 6 0 0 0 6 0 0 0 0 65 0 0 0 12 0 6 6 0 17 0 0 1.200 40 0.29
25 26 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 17 1 3 0.000 0 1.00
26 27 A 0 0 0 0 0 0 0 0 6 0 6 19 0 0 0 25 0 44 0 0 16 0 0 1.369 45 0.30
27 28 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 17 0 0 0.000 0 1.00
28 29 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 17 0 0 0.000 0 1.00
29 30 A 0 0 0 0 0 0 0 0 0 0 0 6 0 0 0 82 0 0 6 6 17 0 0 0.660 22 0.64
30 31 A 0 0 0 0 0 0 0 6 6 0 0 0 0 0 0 0 0 18 0 71 17 0 0 0.885 29 0.74
31 32 A 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 17 0 8 0.000 0 1.00
32 33 A 12 12 6 0 0 0 0 0 6 0 0 59 0 0 0 0 0 6 0 0 17 0 0 1.316 43 0.38
33 34 A 0 0 0 0 0 0 6 0 0 0 0 0 94 0 0 0 0 0 0 0 17 0 0 0.224 7 0.95
34 35 A 0 0 0 0 0 0 0 0 0 0 0 0 100 0 0 0 0 0 0 0 17 0 0 0.000 0 1.00
35 36 A 0 0 0 0 0 0 0 73 0 13 7 0 0 0 0 0 0 0 0 7 15 0 0 0.857 28 0.52
36 37 A 0 0 100 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 3 0 0 0.000 0 1.00
## INSERTION LIST
AliNo IPOS JPOS Len Sequence
7 32 35 2 gDRt
8 32 34 2 gDGl
9 32 32 2 gASv
10 32 33 2 gASv
11 32 34 2 gDGl
12 20 141 1 gQa
12 26 148 1 gQa
14 22 247 1 cGe
15 24 330 1 pAk
15 26 333 1 gAt
15 32 340 1 gAt
16 24 199 1 pAk
16 26 202 1 gAt
16 32 209 1 gAt
//